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Sample records for pi-pi stacking interaction

  1. A preliminary investigation of the additivity of pi-pi or pi+-pi stacking and T-shaped interactions between natural or damaged DNA nucleobases and histidine.

    PubMed

    Rutledge, Lesley R; Churchill, Cassandra D M; Wetmore, Stacey D

    2010-03-11

    Previous computational studies have examined pi-pi and pi(+)-pi stacking and T-shaped interactions in nucleobase-amino acid dimers, yet it is important to investigate how additional amino acids affect these interactions since simultaneous contacts often appear in nature. Therefore, this paper investigates the geometries and binding strengths of amino acid-nucleobase-amino acid trimers, which are compared to the corresponding nucleobase-amino acid dimer interactions. We concentrate on systems containing the natural nucleobase adenine or its (cationic) damaged counterpart, 3-methyladenine, and the aromatic amino acid histidine, in both the neutral and protonated forms. This choice of molecules provides information about pi-pi and pi(+)-pi stacking and T-shaped interactions in asymmetric, biologically relevant systems. We determined that both stacked and T-shaped interactions, as well as both pi-pi and pi(+)-pi interactions, exhibit geometric additivity. To investigate the energetic additivity in our trimers, the synergy (E(syn)) and the additivity (E(add)) energy were examined. E(add) reveals that it is important to consider the interaction between the two amino acids when examining the additivity of nucleobase-amino acid interactions. Additionally, E(syn) and E(add) indicate that pi(+)-pi interactions are quite different from pi-pi interactions. The magnitude of E(add) is generally less than 2 kJ mol(-1), which suggests that these interactions are additive. However, the interaction energy analysis does not provide information about the individual interactions in the trimers. Therefore, the quantum theory of atoms in molecules (QTAIM) was implemented. We find inconsistent conclusions from our QTAIM analysis and interaction energy evaluation. However, the magnitudes of the differences between the dimer and trimer critical point properties are extremely small and therefore may not be able to yield conclusive descriptions of differences (if any) between the dimer and trimer interactions. We hypothesize that, due to the limited number of investigations of this type, it is currently unclear how QTAIM can improve our understanding of pi-pi and pi(+)-pi dimers and trimers. Therefore, future work must systematically alter the pi-pi or pi(+)-pi system to definitively determine how the geometry, symmetry, and system size alter the QTAIM analysis, which can then be used to understand biologically relevant complexes. PMID:20151654

  2. Kinetic resolution of rac-phenylalanine by stereoselective complexation to a chiral cobalt complex through pi-pi stacking interaction.

    PubMed

    Jitsukawa, Koichiro; Katoh, Akira; Funato, Kentaro; Ohata, Nayumi; Funahashi, Yasuhiro; Ozawa, Tomohiro; Masuda, Hideki

    2003-10-01

    A cobalt(III) complex with chiral ligand, H2cpel (N-carboxymethyl-N-pyridylethyl-l-leucine), was prepared for chiral recognition of amino acids. Through the competitive coordination of racemic phenylalanine to the chiral cobalt complex, [Co(cpel)(CO(3))](-) (1), enantioselective recognition was achieved on the ternary complex, which was determined on the basis of HPLC analysis with a chiral column. The formation rate for the [Co(cpel)(l-phe)] complex (2) was 6-times superior to that of [Co(cpel)(d-phe)] (3). The preferential formation of 2 might be illustrated by the interligand pi-pi stacking interaction. Crystal structural analysis for 2 and 3 revealed that aromatic rings, pyridine ring of CPEL and phenylalanine sidechain, in 2 were very close each other but those in 3 were far apart. Such interligand aromatic interaction in 2 was also examined by the use of (1)H NMR spectra. PMID:14514289

  3. A series of Cd(II) complexes with {pi}-{pi} stacking and hydrogen bonding interactions: Structural diversities by varying the ligands

    SciTech Connect

    Wang Xiuli; Zhang Jinxia; Liu Guocheng; Lin Hongyan

    2011-02-15

    Seven new Cd(II) complexes consisting of different phenanthroline derivatives and organic acid ligands, formulated as [Cd(PIP){sub 2}(dnba){sub 2}] (1), [Cd(PIP)(ox)].H{sub 2}O (2), [Cd(PIP)(1,4-bdc)(H{sub 2}O)].4H{sub 2}O (3), [Cd(3-PIP){sub 2}(H{sub 2}O){sub 2}].4H{sub 2}O (4), [Cd{sub 2}(3-PIP){sub 4}(4,4'-bpdc)(H{sub 2}O){sub 2}].5H{sub 2}O (5), [Cd(3-PIP)(nip)(H{sub 2}O)].H{sub 2}O (6), [Cd{sub 2}(TIP){sub 4}(4,4'-bpdc)(H{sub 2}O){sub 2}].3H{sub 2}O (7) (PIP=2-phenylimidazo[4,5-f]1,10-phenanthroline, 3-PIP=2-(3-pyridyl)imidazo[4,5-f]1,10-phenanthroline, TIP=2-(2-thienyl)imidazo[4,5-f]1,10-phenanthroline, Hdnba=3,5-dinitrobenzoic acid, H{sub 2}ox=oxalic acid, 1,4-H{sub 2}bdc=benzene-1,4-dicarboxylic acid, 4,4'-H{sub 2}bpdc=biphenyl-4,4'-dicarboxylic acid, H{sub 2}nip=5-nitroisophthalic acid) have been synthesized under hydrothermal conditions. Complexes 1 and 4 possess mononuclear structures; complexes 5 and 7 are isostructural and have dinuclear structures; complexes 2 and 3 feature 1D chain structures; complex 6 contains 1D double chain, which are further extended to a 3D supramolecular structure by {pi}-{pi} stacking and hydrogen bonding interactions. The N-donor ligands with extended {pi}-system and organic acid ligands play a crucial role in the formation of the final supramolecular frameworks. Moreover, thermal properties and fluorescence of 1-7 are also investigated. -- Graphical abstract: Seven new supramolecular architectures have been successfully isolated under hydrothermal conditions by reactions of different phen derivatives and Cd(II) salts together with organic carboxylate anions auxiliary ligands. Display Omitted Research highlights: {yields} Complexes 1-7 are 0D or 1D polymeric structure, the {pi}-{pi} stacking and H-bonding interactions extend the complexes into 3D supramolecular network. To our knowledge, systematic study on {pi}-{pi} stacking and H-bonding interactions in cadmium(II) complexes are still limited. {yields} The structural differences among the title complexes indicate the importance of N-donor chelating ligands for the creation of molecular architectures. {yields} The thermal and fluorescence properties of title complexes have also been reported.

  4. Intracomplex {pi}-{pi} stacking interaction between adjacent phenanthroline molecules in complexes with rare-earth nitrates: Crystal and molecular structures of bis(1,10-Phenanthroline)trinitratoytterbium and bis(1,10-Phenanthroline)trinitratolanthanum

    SciTech Connect

    Sadikov, G. G. Antsyshkina, A. S.; Rodnikova, M. N.; Solonina, I. A.

    2009-01-15

    Crystals of the compounds Yb(NO{sub 3}){sub 3}(Phen){sub 2} and La(NO{sub 3}){sub 3}(Phen){sub 2} (Phen = 1,10-phenanthroline) are investigated using X-ray diffraction. It is established that there exist two different crystalline modifications: the main modification (phase 1) is characteristic of all members of the isostructural series, and the second modification (phase 2) is observed only for the Eu, Er, and Yb elements. It is assumed that the stability and universality of main phase 1 are associated with the occurrence of the nonbonded {pi}-{pi} stacking interactions between the adjacent phenanthroline ligands in the complexes. The indication of the interactions is a distortion of the planar shape of the Phen molecule (the folding of the metallocycle along the N-N line with a folding angle of 11{sup o}-13{sup o} and its 'boomerang' distortion). The assumption regarding the {pi}-{pi} stacking interaction is very consistent with the shape of the ellipsoids of atomic thermal vibrations, as well as with the data obtained from thermography and IR spectroscopy. An analysis of the structures of a number of rare-earth compounds has demonstrated that the intracomplex {pi}-{pi} stacking interactions directly contribute to the formation of supramolecular associates in the crystals, such as molecular dimers, supramolecules, chain and layered ensembles, and framework systems.

  5. {pi}-{pi} Interactions and magnetic properties in a series of hybrid inorganic-organic crystals

    SciTech Connect

    Gonzalez, M.; Lemus-Santana, A.A.; Rodriguez-Hernandez, J.; Knobel, M.; Reguera, E.

    2013-01-15

    The series of hybrid inorganic-organic solids T(Im){sub 2}[Ni(CN){sub 4}] with T=Fe, Co, Ni and Im=imidazole were prepared by soft chemical routes from aqueous solutions of the involved building units: imidazole, T{sup 2+} metal and the [Ni(CN){sub 4}]{sup 2-} anionic block. The obtained samples were characterized from infrared and UV-vis spectroscopies, and thermogravimetric, X-ray diffraction and magnetic measurements. Anhydrous solids which crystallize with a monoclinic unit cell, in the I2/a space group with four formula units per cell (Z=4) were obtained. Their crystal structure was solved ab initio from the recorded X-ray powder patterns and then refined by the Rietveld method. The metal T is found with octahedral coordination to four N ends of CN groups and two imidazole molecules while the inner Ni atom preserves its planar coordination. The system of layers remains stacked in an ordered 3D structure through dipole-dipole and {pi}-{pi} interactions between imidazole rings from neighboring layers. In this way, a pillared structure is achieved without requiring the coordination of both nitrogen atoms from imidazole ring. The recorded magnetic data indicate the occurrence of a predominant ferromagnetic interaction at low temperature for Co and Ni but not for Fe. Such magnetic ordering is more favorable for Ni with transition temperature of 14.67 K, which was ascribed to the relatively high polarizing power for this metal. Within the considered T metals, to nickel the highest electron-withdrawing ability corresponds and this leads to an increase for the metal-ligand electron clouds overlapping and to a stronger {pi}-{pi} attractive interaction, two factors that result into a higher magnetic ordering temperature. - Graphical Abstract: Magnetic ordering through the {pi}-{pi} interaction between the imidazole rings. Highlights: Black-Right-Pointing-Pointer Hybrid inorganic-organic solids. Black-Right-Pointing-Pointer Hybrid inorganic-organic molecular based magnets. Black-Right-Pointing-Pointer Ferromagnetic interaction through {pi}-{pi} stacking of imidazole rings. Black-Right-Pointing-Pointer Organic pillars formed through {pi}-{pi} stacking.

  6. Use of. pi. p. --> pi pi. N reactions to study. pi pi. scattering in the elastic-interaction region

    SciTech Connect

    Alekseeva, E.A.; Kartamyshev, A.A.; Makar'in, V.K.; Mukhin, K.N.; Patarakin, O.O.; Sulkovskaya, M.M.; Sustavov, A.F.; Surkova, L.V.; Chernysheva, L.A.

    1982-04-01

    ..pi pi.. scattering is investigated in the region where it can be regarded as elastic. Information is used on four different channels of a reaction of the type ..pi..p..--> pi pi..N. A single procedure is used to obtain for all the essential ..pi pi..-scattering phase shifts in the investigated region, delta/sub 0/ /sup 0/ , delta/sub 0/ /sup 2/ , delta/sub 1//sup 1/ , delta/sub 2/ /sup 0/ , and delta/sub 2/ /sup 2/ , values that are in good agreement with one another. A continuous plot of delta/sub 0/ /sup 0/ from threshold to 980 MeV is obtained. It is shown that it is incorrect to apply the effective-radius approximation to S-wave phase shifts at m/sub pipi/> or =400 MeV. The hypothesis that close near-threshold zeros are present in the S-wave amplitudes is proved experimentally. The positions of the zeros are found. Analytic, unitary, and crossing-symmetry partial ..pi pi.. amplitudes are determined, which satisfy the Roy equations and agree well with the phase-shift-analysis results. It is concluded that the lower ''down'' solution is preferable for the delta/sub 0/ /sup 0/ phase shift. The scattering lengths of the S, P, and D waves are obtained.

  7. Relevance of final state interactions in {eta}{sup '{yields}{eta}{pi}{pi}} decays

    SciTech Connect

    Sanz-Cillero, J. J.

    2011-05-23

    A study of the {eta}{sup '{yields}{eta}{pi}{pi}} Dalitz plot distribution is presented in this talk. The size of the branching ratio is properly understood within U(3) Chiral Perturbation Theory and Resonance Chiral Theory, in the framework of the 1/N{sub C} expansion. Nonetheless, unitarity effects must be incorporated in order to achieve an appropriate description of the Dalitz slope parameters. After taking the final state interactions into account, our predictions become now in agreement with the available experimental measurements, although some clear differences show up with respect to previous theoretical estimates.

  8. Pi-pi stacking assisted binding of aromatic amino acids by copper(II)-aromatic diimine complexes. Effects of ring substituents on ternary complex stability.

    PubMed

    Yajima, Tatsuo; Takamido, Reiko; Shimazaki, Yuichi; Odani, Akira; Nakabayashi, Yasuo; Yamauchi, Osamu

    2007-01-21

    Ternary Cu(ii) complexes containing an aromatic diimine (DA = di(2-pyridylmethyl)amine (dpa), 4,4'-disubstituted 2,2'-bipyridine (Y(2)bpy; Y = H (bpy), Me, Cl, N(Et)(2), CONH(2) or COOEt) or 2,2'-bipyrimidine) and an aromatic amino acid (AA = l-phenylalanine (Phe), p-substituted phenylalanine (XPhe; X = NH(2), NO(2), F, Cl or Br), l-tyrosine (Tyr), l-tryptophan (Trp) or l-alanine (Ala)) were characterized by X-ray diffraction, spectroscopic and potentiometric measurements. The structures of [Cu(dpa)(Trp)]ClO(4).2H(2)O and [Cu((CONH(2))(2)bpy)(Phe)]ClO(4).H(2)O in the solid state were revealed to have intramolecular pi-pi interactions between the Cu(ii)-coordinated aromatic ring moiety, Cu(DA) (Mpi), and the side chain aromatic ring of the AA (Lpi). The intensities of Mpi-Lpi interactions were evaluated by the stability constants of the ternary Cu(ii) complexes determined at 25 degrees C and I = 0.1 M (KNO(3)), which revealed that the stability enhancement of the Cu(DA)(AA) systems due to the interactions is in the order (CONH(2))(2)bpy < bpy < Me(2)bpy < (Et(2)N)(2)bpy with respect to DA. The results indicate that the electron density of coordinated aromatic diimines influences the intensities of the stacking interactions in the Cu(DA)(AA) systems. The Mpi-Lpi interactions are also influenced by the substituents, X, of Lpi and are in linear relationship with their Hammett sigma(p) values with the exception of X = Cl and Br. PMID:17200749

  9. Observation of eta' decays to pi+pi-pi0 and pi+pi-e+e-.

    PubMed

    Naik, P; Rademacker, J; Asner, D M; Edwards, K W; Reed, J; Robichaud, A N; Tatishvili, G; Briere, R A; Vogel, H; Onyisi, P U E; Rosner, J L; Alexander, J P; Cassel, D G; Duboscq, J E; Ehrlich, R; Fields, L; Galik, R S; Gibbons, L; Gray, R; Gray, S W; Hartill, D L; Heltsley, B K; Hertz, D; Hunt, J M; Kandaswamy, J; Kreinick, D L; Kuznetsov, V E; Ledoux, J; Mahlke-Krüger, H; Mohapatra, D; Patterson, J R; Peterson, D; Riley, D; Ryd, A; Sadoff, A J; Shi, X; Stroiney, S; Sun, W M; Wilksen, T; Athar, S B; Yelton, J; Rubin, P; Mehrabyan, S; Lowrey, N; Selen, M; White, E J; Wiss, J; Mitchell, R E; Shepherd, M R; Besson, D; Pedlar, T K; Cronin-Hennessy, D; Gao, K Y; Hietala, J; Kubota, Y; Klein, T; Poling, R; Scott, A W; Zweber, P; Dobbs, S; Metreveli, Z; Seth, K K; Tan, B J Y; Tomaradze, A; Libby, J; Martin, L; Powell, A; Wilkinson, G; Mendez, H; Ge, J Y; Miller, D H; Pavlunin, V; Sanghi, B; Shipsey, I P J; Xin, B; Adams, G S; Hu, D; Moziak, B; Napolitano, J; He, Q; Insler, J; Muramatsu, H; Park, C S; Thorndike, E H; Yang, F; Artuso, M; Blusk, S; Khalil, S; Li, J; Mountain, R; Randrianarivony, K; Sultana, N; Skwarnicki, T; Stone, S; Wang, J C; Zhang, L M; Bonvicini, G; Cinabro, D; Dubrovin, M; Lincoln, A; Ecklund, K M

    2009-02-13

    Using psi(2S)-->pi;{+}pi;{-}J/psi, J/psi-->gammaeta;{'} events acquired with the CLEO-c detector at the CESR e;{+}e;{-} collider, we make the first observations of the decays eta;{'}-->pi;{+}pi;{-}pi;{0} and eta;{'}-->pi;{+}pi;{-}e;{+}e;{-}, measuring absolute branching fractions (37_{-9};{+11}+/-4)x10;{-4} and (25_{-9};{+12}+/-5)x10;{-4}, respectively. For eta;{'}-->pi;{+}pi;{-}pi;{0}, this result probes the mechanism of isospin violation and the roles of pi;{0}/eta/eta;{'}-mixing and final state rescattering in strong decays. We also set upper limits on branching fractions for eta;{'} decays to pi;{+}pi;{-}micro;{+}micro;{-}, 2(pi;{+}pi;{-}), pi;{+}pi;{-}2pi;{0}, 2(pi;{+}pi;{-})pi;{0}, 3(pi;{+}pi;{-}), and invisible final states. PMID:19257578

  10. Observation of eta_c(1S) and eta_c(2S) decays to K K-pi pi-pi0 in two-photon interactions

    SciTech Connect

    Sanchez, P.del Amo

    2011-05-20

    We study the processes {gamma}{gamma} {yields} K{sub S}{sup 0}K{sup {+-}}{pi}{sup {-+}} and {gamma}{gamma} {yields} K{sup +}K{sup -}{pi}{sup +}{pi}{sup -}{pi}{sup 0} using a data sample of 519.2 fb{sup -1} recorded by the BABAR detector at the PEP-II asymmetric-energy e{sup +}e{sup -} collider at center-of-mass energies near the {Upsilon}(nS) (n = 2, 3, 4) resonances. We observe the {eta}{sub c}(1S), {chi}{sub c0}(1P), {chi}{sub c2}(1P), and {eta}{sub c}(2S) resonances produced in two-photon interactions and decaying to K{sup +}K{sup -}{pi}{sup +}{pi}{sup -}{pi}{sup 0}, with significances of 18.1, 5.7, 5.2, and 5.3 standard deviations (including systematic errors), respectively. We measure the {eta}{sub c}(2S) mass and width in K{sub S}{sup 0}K{sup {+-}}{pi}{sup {-+}} decays, m({eta}{sub c}(2S)) = 3638.5 {+-} 1.5 {+-} 0.8 MeV/c{sup 2} and {Lambda}({eta}{sub c}(2S)) = 13.4 {+-} 4.6 {+-} 3.2 MeV, where the first uncertainty is statistical and the second is systematic. We search for the Z(3930) resonance and find no significant signal. We also provide the two-photon width times branching fraction values for the observed resonances.

  11. Measurement of ratio R = (BR(D{sup 0}{yields}K{pi}{pi}{pi})/BR(D{sup 0}{yields}K{pi})) in {pi}{sup -}-Nucleus interactions at 500 GeV/c

    SciTech Connect

    Solano Salinas, C. J.; Paucarchuco, C.; Fernandez, A.; Sheaff, M.

    2007-10-26

    We report a very preliminary result on the measurement of the ratio of branching ratios, for two decays D{sup 0} meson, R = (BR(D{sup 0}{yields}K{pi}{pi}{pi})/BR(D{sup 0}{yields}K{pi})), using data from the E791 experiment. We find R = 1.96{+-}0.0286 (stat){+-}0.06 (sys). This is in agreement with and of similar precision to the current PDG average value 1.97{+-}0.09.

  12. Study of the D{sup 0{yields}{pi}+{pi}-{pi}0} decay at BABAR

    SciTech Connect

    Gaspero, Mario

    2010-08-05

    The Dalitz-plot of the decay D{sup 0{yields}{pi}+{pi}-{pi}0} measured by the BABAR collaboration shows the structure of a final state having quantum numbers I{sup G}J{sup PC} = 0{sup -}0{sup --}. An isospin analysis of this Dalitz-plot finds that the fraction of the I = 0 contribution is about 96%. This high I = 0 contribution is unexpected because the weak interaction violates the isospin.

  13. Diffractive Pion Dissociation into {pi}{sup -{pi}+{pi}-{pi}+{pi}-} at COMPASS

    SciTech Connect

    Neubert, S.

    2010-08-05

    At the COMPASS experiment a sample of {approx}380000 exclusive events of diffractive pion dissociation on a lead target into a {pi}{sup -{pi}+{pi}-{pi}+{pi}-} final state has been recorded in 2004. The 5{pi} invariant mass spectrum shows a momentum transfer dependent structure peaking around 1.8 GeV/c{sup 2}. In the (4{pi}){sup 0} subsystem there is a clear signal for the f{sub 1}(1285) resonance decaying into 4 pions. In this note we describe the data sample and explore the physics potential of this final state.

  14. New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking.

    PubMed

    Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi

    2009-10-22

    When heated above room temperature, some crystalline polymorphs of the 1,3-bis(hydroxyalkylamino)-4,6-dinitrobenzenes (BDBn, n = 2-5), bis(hydroxyalkyl) analogues of the intramolecular charge-transfer molecule 1,3-diamino-4,6-dinitrobenzene, exhibit "dual" thermochromism: gradual color change from yellow to orange at lower temperatures, and sharp color change from orange to red at higher temperatures. These two thermochromic changes are related to different solid-state processes. When allowed to cool to room temperature, the yellow color of the thermochromic molecules with different alkyl length (n) is recovered with unexpectedly different kinetics, the order of the respective rate constants ranging from 10(-7)-10(-6) s(-1) for BDB2 to about 0.1 s(-1) in the case of BDB3. The thermochromic mechanism and the reasons behind the different kinetics were clarified on the basis of detailed crystallographic characterization, kinetic thermoanalysis, and spectroscopic study of eight crystalline forms (seven polymorphs and one solvate). It was found that the polymorphism is due to the possibility of "locking" and "unlocking" of the alkyl arms by formation of a strong intramolecular hydrogen bond between the hydroxyl groups at their hydroxyl termini. The locking of BDB2, with shortest alkyl arms, is reversible and it can be controlled thermally; either of the two conformations can be obtained in the solid state by proper thermal treatment. By use of high temperature in situ single crystal X-ray diffraction analysis of BDB3, direct evidence was obtained that the gradual thermochromic change is related to increased distance and weakened pi-pi interactions between the stacked benzene rings: the lattice expands preferably in the stacking direction, causing enhanced oscillator strength and red shift of the absorption edge of the intramolecular charge transfer transition. The second, sharp thermochromic change had been assigned previously to solid-solid phase transition triggered by intramolecular proton transfer of one amino proton to the nitro group, whereupon an aci-nitro form is thermally populated. Contrary to the numerous examples of solid thermochromic molecules based on either pericyclic reactions or keto-enol tautomerism, this system appears to be the first organic thermochromic family where the thermochromic change appears as an effect of intermolecular pi-pi interactions and thermal intramolecular proton transfer to aromatic nitro group. PMID:19780605

  15. Manisyl-substituted polypyridine coordination compounds: Metallo-supramolecular networks of interdigitated double helices assembled via CH...pi and pi-pi interactions.

    PubMed

    Klosterman, Jeremy K; Linden, Anthony; Frantz, Derik K; Siegel, Jay S

    2010-02-14

    A series of ML(2) coordination compounds of manisyl-substituted 2-pyridin-2-yl-1,10-phenanthrolines (pherpys) and 2,2':6',2''-terpyridines (terpys) with Fe(ii), Co(ii), Ni(ii), Cu(ii), Zn(ii), Ru(ii), and Os(ii), were synthesized. The pyridyl-phenanthroline-metal complexes form isomorphous crystals (space group Pcca), except for the zinc complex, which is isostructural but not isomorphous (space group P2(1)/c). Traces of the Ru complex induce the Zn complex to crystallize in the Pcca modification. Terpyridine complexes are isostructural but divided into two subgroups (Pnna and C2/c). Within the crystal lattice, the dications arrange into two-dimensional sheets of interdigitated left- and right-handed double helices via CHpi and pi-pi interactions of the pendant manisyl functionalities. All of the complexes exhibit weak ligand charge transfer (LCT) emission in solution at room temperature and the osmium complexes possess an emissive metal to ligand charge transfer (MLCT) state. PMID:20104313

  16. Finite volume corrections to pi pi scattering

    SciTech Connect

    Sato, Ikuro; Bedaque, Paulo F.; Walker-Loud, Andre

    2006-01-13

    Lattice QCD studies of hadron-hadron interactions are performed by computing the energy levels of the system in a finite box. The shifts in energy levels proportional to inverse powers of the volume are related to scattering parameters in a model independent way. In addition, there are non-universal exponentially suppressed corrections that distort this relation. These terms are proportional to e-m{sub pi} L and become relevant as the chiral limit is approached. In this paper we report on a one-loop chiral perturbation theory calculation of the leading exponential corrections in the case of I=2 pi pi scattering near threshold.

  17. Nitrogen-Doping Enables Covalent-Like pi-pi Bonding between Graphenes

    SciTech Connect

    Tian, Yong-Hui; Huang, Jingsong; Sumpter, Bobby G; Kertesz, Prof. Miklos

    2015-01-01

    The neighboring layers in bi-layer (and few-layer) graphenes of both AA and AB stacking motifs are known to be separated at a distance corresponding to van der Waals (vdW) interactions. In this Letter, we present for the first time a new aspect of graphene chemistry in terms of a special chemical bonding between the giant graphene molecules . Through rigorous theoretical calculations, we demonstrate that the N-doped graphenes (NGPs) with various doping levels can form an unusual two-dimensional (2D) pi pi bonding in bi-layer NGPs bringing the neighboring NGPs to significantly reduced interlayer separations. The interlayer binding energies can be enhanced by up to 50% compared to the pristine graphene bi-layers that are characterized by only vdW interactions. Such an unusual chemical bonding arises from the pi pi overlap across the vdW gap while the individual layers maintain their in-plane pi-conjugation and are accordingly planar. The existence of the resulting interlayer covalent-like bonding is corroborated by electronic structure calculations and crystal orbital overlap population (COOP) analyses. In NGP-based graphite with the optimal doping level, the NGP layers are uniformly stacked and the 3D bulk exhibits metallic characteristics both in the in-plane and along the stacking directions.

  18. Dispersion relations with crossing symmetry for {pi}{pi} D- and F-wave amplitudes

    SciTech Connect

    Kaminski, R.

    2011-04-01

    A set of once subtracted dispersion relations with imposed crossing symmetry condition for the {pi}{pi} D- and F-wave amplitudes is derived and analyzed. An example of numerical calculations in the effective two-pion mass range from the threshold to 1.1 GeV is presented. It is shown that these new dispersion relations impose quite strong constraints on the analyzed {pi}{pi} interactions and are very useful tools to test the {pi}{pi} amplitudes. One of the goals of this work is to provide a complete set of equations required for easy use. Full analytical expressions are presented. Along with the well-known dispersion relations successful in testing the {pi}{pi} S- and P-wave amplitudes, those presented here for the D and F waves give a complete set of tools for analyses of the {pi}{pi} interactions.

  19. Dynamical coupled-channels study of {pi}N {right arrow} {pi pi}N reactions.

    SciTech Connect

    Kamano, H.; Julia-Diaz, B.; Lee, T.-S. H.; Matsuyama, A.; Sato, T.; Physics; Jefferson Lab.; Univ. of Barcelona; Shizuoka Univ.; Osaka Univ.

    2009-02-24

    As a step toward performing a complete coupled-channels analysis of the world data of {pi}N,{gamma}*N {yields} {pi}N,{eta}N,{pi}{pi}N reactions, the {pi}N {yields} {pi}{pi}N reactions are investigated starting with the dynamical coupled-channels model developed in Phys. Rev. C 76, 065201 (2007). The channels included are {pi}N,{eta}N, and {pi}{pi}N which has {pi}{Delta},{rho}N, and {sigma}N resonant components. The nonresonant amplitudes are generated from solving a set of coupled-channels equations with the meson-baryon potentials defined by effective Lagrangians. The resonant amplitudes are generated from 16 bare excited nucleon (N*) states that are dressed by the nonresonant interactions as constrained by the unitarity condition. The data of total cross sections and {pi}N and {pi}{pi} invariant mass distributions of {pi} + p {yields} {pi} + {pi} + n, {pi} + {pi}0p and {pi} - p {yields} {pi} + {pi} - n, {pi} - {pi}0p,{pi}0{pi}0n reactions from threshold to the invariant mass W = 2 GeV can be described to a very large extent. We show the importance of the coupled-channels effects and the strong interference among the contributions from the {pi}{Delta},{sigma}N, and {rho}N channels. The large interference between the resonant and nonresonant amplitudes is also demonstrated. Possible future developments are discussed.

  20. Dynamical coupled-channels study of pi N --> pi pi N reactions

    SciTech Connect

    Kamano, Hiroyuki; Julia Diaz, Bruno; Lee, Tsung-Shung; Matsuyama, Akihiko; Sato, Toru

    2009-01-01

    As a step toward performing a complete coupled-channels analysis of the world data of pi N, gamma^* N --> pi N, eta N, pi pi N reactions, the pi N --> pi pi N reactions are investigated starting with the dynamical coupled-channels model developed in Phys. Rev. C76, 065201 (2007). The channels included are pi N, eta N, and pi pi N which has pi Delta, rho N, and sigma N resonant components. The non-resonant amplitudes are generated from solving a set of coupled-channels equations with the meson-baryon potentials defined by effective Lagrangians. The resonant amplitudes are generated from 16 bare excited nucleon (N^*) states which are dressed by the non-resonant interactions as constrained by the unitarity condition. The available total cross section data of pi^+ p --> pi^+ pi^+ n, pi^+ pi^0 and pi^- p --> pi^+ pi^- n, pi^- pi^0 n, pi^0 pi^0 n can be reproduced to a very large extent both in magnitudes and energy-dependence. Possible improvements of the model are investigated, in p

  1. Measurement of CP violation parameters with a Dalitz plot analysis of B{+/-}-->D{pi{+}pi{-}pi{0}}K{+/-}.

    PubMed

    Aubert, B; Bona, M; Boutigny, D; Karyotakis, Y; Lees, J P; Poireau, V; Prudent, X; Tisserand, V; Zghiche, A; Grauges, E; Lopez, L; Palano, A; Chen, J C; Qi, N D; Rong, G; Wang, P; Zhu, Y S; Eigen, G; Ofte, I; Stugu, B; Abrams, G S; Battaglia, M; Brown, D N; Button-Shafer, J; Cahn, R N; Groysman, Y; Jacobsen, R G; Kadyk, J A; Kerth, L T; Kolomensky, Yu G; Kukartsev, G; Pegna, D Lopes; Lynch, G; Mir, L M; Orimoto, T J; Pripstein, M; Roe, N A; Ronan, M T; Tackmann, K; Wenzel, W A; Del Amo Sanchez, P; Barrett, M; Harrison, T J; Hart, A J; Hawkes, C M; Watson, A T; Held, T; Koch, H; Lewandowski, B; Pelizaeus, M; Schroeder, T; Steinke, M; Boyd, J T; Burke, J P; Cottingham, W N; Walker, D; Asgeirsson, D J; Cuhadar-Donszelmann, T; Fulsom, B G; Hearty, C; Knecht, N S; Mattison, T S; McKenna, J A; Khan, A; Kyberd, P; Saleem, M; Sherwood, D J; Teodorescu, L; Blinov, V E; Bukin, A D; Druzhinin, V P; Golubev, V B; Onuchin, A P; Serednyakov, S I; Skovpen, Yu I; Solodov, E P; Todyshev, K Yu; Bondioli, M; Bruinsma, M; Chao, M; Curry, S; Eschrich, I; Kirkby, D; Lankford, A J; Lund, P; Mandelkern, M; Martin, E C; Stoker, D P; Abachi, S; Buchanan, C; Foulkes, S D; Gary, J W; Liu, F; Long, O; Shen, B C; Zhang, L; Hill, E J; Paar, H P; Rahatlou, S; Sharma, V; Berryhill, J W; Campagnari, C; Cunha, A; Dahmes, B; Hong, T M; Kovalskyi, D; Richman, J D; Beck, T W; Eisner, A M; Flacco, C J; Heusch, C A; Kroseberg, J; Lockman, W S; Schalk, T; Schumm, B A; Seiden, A; Williams, D C; Wilson, M G; Winstrom, L O; Chen, E; Cheng, C H; Dvoretskii, A; Fang, F; Hitlin, D G; Narsky, I; Piatenko, T; Porter, F C; Mancinelli, G; Meadows, B T; Mishra, K; Sokoloff, M D; Blanc, F; Bloom, P C; Chen, S; Ford, W T; Hirschauer, J F; Kreisel, A; Nagel, M; Nauenberg, U; Olivas, A; Smith, J G; Ulmer, K A; Wagner, S R; Zhang, J; Chen, A; Eckhart, E A; Soffer, A; Toki, W H; Wilson, R J; Winklmeier, F; Zeng, Q; Altenburg, D D; Feltresi, E; Hauke, A; Jasper, H; Merkel, J; Petzold, A; Spaan, B; Wacker, K; Brandt, T; Klose, V; Lacker, H M; Mader, W F; Nogowski, R; Schubert, J; Schubert, K R; Schwierz, R; Sundermann, J E; Volk, A; Bernard, D; Bonneaud, G R; Latour, E; Thiebaux, Ch; Verderi, M; Clark, P J; Gradl, W; Muheim, F; Playfer, S; Robertson, A I; Xie, Y; Andreotti, M; Bettoni, D; Bozzi, C; Calabrese, R; Cibinetto, G; Luppi, E; Negrini, M; Petrella, A; Piemontese, L; Prencipe, E; Anulli, F; Baldini-Ferroli, R; Calcaterra, A; de Sangro, R; Finocchiaro, G; Pacetti, S; Patteri, P; Peruzzi, I M; Piccolo, M; Rama, M; Zallo, A; Buzzo, A; Contri, R; Lo Vetere, M; Macri, M M; Monge, M R; Passaggio, S; Patrignani, C; Robutti, E; Santroni, A; Tosi, S; Chaisanguanthum, K S; Morii, M; Wu, J; Dubitzky, R S; Marks, J; Schenk, S; Uwer, U; Bard, D J; Dauncey, P D; Flack, R L; Nash, J A; Nikolich, M B; Vazquez, W Panduro; Behera, P K; Chai, X; Charles, M J; Mallik, U; Meyer, N T; Ziegler, V; Cochran, J; Crawley, H B; Dong, L; Eyges, V; Meyer, W T; Prell, S; Rosenberg, E I; Rubin, A E; Gritsan, A V; Lae, C K; Denig, A G; Fritsch, M; Schott, G; Arnaud, N; Béquilleux, J; Davier, M; Grosdidier, G; Höcker, A; Lepeltier, V; Le Diberder, F; Lutz, A M; Pruvot, S; Rodier, S; Roudeau, P; Schune, M H; Serrano, J; Sordini, V; Stocchi, A; Wang, W F; Wormser, G; Lange, D J; Wright, D M; Chavez, C A; Forster, I J; Fry, J R; Gabathuler, E; Gamet, R; Hutchcroft, D E; Payne, D J; Schofield, K C; Touramanis, C; Bevan, A J; George, K A; Di Lodovico, F; Menges, W; Sacco, R; Cowan, G; Flaecher, H U; Hopkins, D A; Jackson, P S; McMahon, T R; Salvatore, F; Wren, A C; Brown, D N; Davis, C L; Allison, J; Barlow, N R; Barlow, R J; Chia, Y M; Edgar, C L; Lafferty, G D; West, T J; Yi, J I; Chen, C; Hulsbergen, W D; Jawahery, A; Roberts, D A; Simi, G; Blaylock, G; Dallapiccola, C; Hertzbach, S S; Li, X; Moore, T B; Salvati, E; Saremi, S; Cowan, R; Sciolla, G; Sekula, S J; Spitznagel, M; Taylor, F; Yamamoto, R K; Kim, H; McLachlin, S E; Patel, P M; Robertson, S H; Lazzaro, A; Lombardo, V; Palombo, F; Bauer, J M; Cremaldi, L; Eschenburg, V; Godang, R; Kroeger, R; Sanders, D A; Summers, D J; Zhao, H W; Brunet, S; Côté, D; Simard, M; Taras, P; Viaud, F B; Nicholson, H; Cavallo, N; De Nardo, G; Fabozzi, F; Gatto, C; Lista, L; Monorchio, D; Paolucci, P; Piccolo, D; Sciacca, C; Baak, M A; Raven, G; Snoek, H L; Jessop, C P; Losecco, J M; Benelli, G; Corwin, L A; Gan, K K; Honscheid, K; Hufnagel, D; Kagan, H; Kass, R; Morris, J P; Rahimi, A M; Regensburger, J J; Ter-Antonyan, R; Wong, Q K; Blount, N L; Brau, J; Frey, R; Igonkina, O; Kolb, J A; Lu, M; Rahmat, R; Sinev, N B; Strom, D; Strube, J; Torrence, E; Gaz, A; Margoni, M; Morandin, M; Pompili, A; Posocco, M; Rotondo, M; Simonetto, F; Stroili, R; Voci, C; Ben-Haim, E; Briand, H; Chauveau, J; David, P; Del Buono, L; de la Vaissière, Ch; Hamon, O; Hartfiel, B L; Leruste, Ph; Malclès, J; Ocariz, J; Perez, A; Prendki, J; Gladney, L

    2007-12-21

    We report the results of a CP violation analysis of the decay B{+/-}-->D{pi{+}pi{-}pi;{0}}K{+/-}, where D{pi{+}pi{-}pi{0}} indicates a neutral D meson detected in the final state pi{+}pi{-}pi{0}, excluding K{S}{0}pi{0}. The analysis makes use of 324 x 10{6}e{+}e{-}-->BB[over ] events recorded by the BABAR experiment at the PEP-II e;{+}e;{-} storage ring. Analyzing the pi;{+}pi;{-}pi;{0} Dalitz plot distribution and the B{+/-}-->D{pi{+}pi{-}pi{0}}K{+/-} branching fraction and decay rate asymmetry, we find the following one-standard-deviation constraints on the amplitude ratio and on the weak and strong phases: 0.06pi{+}pi{-}pi{0} decay amplitude. PMID:18233513

  2. Charmless decays B{yields}{pi}{pi},{pi}K and KK in broken SU(3) symmetry

    SciTech Connect

    Wu Yueliang; Zhou Yufeng

    2005-08-01

    Charmless B decay modes B{yields}{pi}{pi},{pi}K and KK are systematically investigated with and without flavor SU(3) symmetry. Independent analyses on {pi}{pi} and {pi}K modes both favor a large ratio between color-suppressed tree (C) and tree (T) diagram, which suggests that they are more likely to originate from long distance effects. The sizes of QCD penguin diagrams extracted individually from {pi}{pi}, {pi}K and KK modes are found to follow a pattern of SU(3) breaking in agreement with the naive factorization estimates. Global fits to these modes are done under various scenarios of SU(3) relations. The results show good determinations of weak phase {gamma} in consistency with the standard model (SM), but a large electroweak penguin (P{sub EW}) relative to T+C with a large relative strong phase is favored, which requires a big enhancement of color-suppressed electroweak penguin (P{sub EW}{sup C}) compatible in size but destructively interfering with P{sub EW} within the SM, or implies new physics. The possibilities of sizable contributions from nonfactorizable diagrams such as W exchange (E), annihilation (A), and penguin-annihilation diagrams (P{sub A}) are investigated. The implications to the branching ratios and CP violations in KK modes are discussed.

  3. Geometry optimization of excited valence states of formaldehyde using analytical multireference configuration interaction singles and doubles and multireference averaged quadratic coupled-cluster gradients, and MR-AQCC gradients and the conical intersection formed by the 1{sup 1}B{sub 1}({sigma}-{pi}*) and 2{sup 1}A{sub 1}({pi}-{pi}*) states.

    SciTech Connect

    Dallos, M.; Muller, T.; Lischka, H.; Shepard, R.; Chemistry; Univ. of Vienna

    2001-01-08

    Extended MR-CISD (multireference configuration interaction singles and doubles), MR-CISD + Q (multireference configuration interaction singles, doubles, and quadrupole), and MR-AQCC (multireference averaged quadratic coupled clusters) calculations have been performed on the following valence states of formaldehyde: 1 {sup 1}A{sub 1} (planar ground state), 1 {sup 1}A{sub 2} and 1 {sup 1}A{prime} (planar and nonplanar n-{pi}* state), 1 {sup 1}B{sub 1} and 2 {sup 1}A{sub 1} (planar {sigma}-{pi}* and {pi}-{pi}* states) and their nonplanar counterparts 2 {sup 1}A{prime} and 3 {sup 1}A{prime}. Full geometry optimizations have been performed using analytic gradient techniques developed for the MR-CISD and MR-AQCC methods as implemented into the COLUMBUS program system. Basis set extrapolation techniques have been used for the determination of high-accuracy geometries and adiabatic excitation energies. Harmonic vibrational frequencies have been computed also. Agreement between calculated and available experimental data is very good. Especially for the {sigma}-{pi}* and {pi}-{pi}* states experimental information is extremely scarce and our results provide reliable predictions. The major new result of our work is the finding that for the 2 {sup 1}A{sub 1}({pi}-{pi}*) state the structure optimized under planarity constraints is only a saddle point and not a minimum. This fact is the result of a conical intersection between the {sigma}-{pi}* and {pi}-{pi}* states (1 {sup 1}B{sub 1} and 2 {sup 1}A{sub 1}). The final result is that neither on the 2 {sup 1}A{prime} nor on the 3 {sup 1}A{prime} surface a stationary minimum can be assigned to the {pi}-{pi}* state.

  4. How accurate is the density functional theory combined with symmetry-adapted perturbation theory approach for CH-pi and pi-pi interactions? A comparison to supermolecular calculations for the acetylene-benzene dimer.

    PubMed

    Tekin, Adem; Jansen, Georg

    2007-04-14

    Five different orientations of the acetylene-benzene dimer including the T-shaped global minimum structure are used to assess the accuracy of the density functional theory combined with symmetry adapted perturbation theory (DFT-SAPT) approach in its density-fitting implementation (DF-DFT-SAPT) for the study of CH-pi and pi-pi interactions. The results are compared with the outcome of counterpoise corrected supermolecular calculations employing second-order Møller-Plesset (MP2), spin-component scaled MP2 (SCS-MP2) and single and double excitation coupled cluster theory including perturbative triple excitations (CCSD(T)). For all considered orientations MP2 predicts much deeper potential energy curves with considerably shifted minima compared to CCSD(T) and DFT-SAPT. In spite of being an improvement over the results of MP2, SCS-MP2 tends to underestimate the well depth while DFT-SAPT, employing an asymptotically corrected hybrid exchange-correlation potential in conjunction with the adiabatic local density approximation for the exchange-correlation kernel, is found to be in excellent agreement with CCSD(T). Furthermore, DFT-SAPT provides a detailed understanding of the importance of the electrostatic, induction and dispersion contributions to the total interaction energy and their repulsive exchange corrections. PMID:17396179

  5. Assessment of Standard Force Field Models against High-Quality ab initio Potential Curves for Prototypes of pi-pi, CH/pi, and SH/pi Interactions

    SciTech Connect

    Sumpter, Bobby G; Sherrill, David; Sinnokrot, Mutasem O; Marshall, Michael S.; Hohenstein, Edward G.; Walker, Ross; Gould, Ian R

    2009-01-01

    Several popular force fields, namely, CHARMM, AMBER, OPLS-AA, and MM3, have been tested for their ability to reproduce highly accurate quantum mechani- cal potential energy curves for noncovalent interactions in the benzene dimer, the benzene-CH4 complex, and the benzene-H2S complex. All of the force fields are semi-quantitatively correct, but none of them is consistently reliable quantitatively. Re-optimization of Lennard-Jones parameters and symmetry-adapted perturbation theory analysis for the benzene dimer suggests that better agreement cannot be expected unless more flexible functional forms (particularly for the electrostatic contributions)are employed for the empirical force fields.

  6. Dalitz plot structure in D{sup 0{yields}{pi}+{pi}-{pi}0}

    SciTech Connect

    Bhattacharya, Bhubanjyoti; Rosner, Jonathan L.; Chiang, Cheng-Wei

    2010-05-01

    The BABAR Collaboration has pointed out that D{sup 0{yields}{pi}+{pi}-{pi}0} is dominated by an isospin-zero final state, leading to nearly complete depletion of the Dalitz plot along all three diagonals. In flavor-SU(3) approaches to charmed particle decays to a light vector and a light pseudoscalar particle, this behavior is seen, but does not appear to have a fundamental origin. Instead, it arises as a result of approximate cancellation of higher-isospin combinations of several types of amplitudes: color-favored tree, color-suppressed tree, and exchange. Interpretation in terms of a direct-channel effect would require an exotic resonance, with spin, parity, and charge-conjugation eigenvalues J{sup PC}=0{sup --}.

  7. Photoproduction of {pi}{pi} Pairs off {sup 7}Li

    SciTech Connect

    Maghrbi, Yasser

    2011-10-21

    This paper reports on the quasi-free photoproduction of {pi}{sup 0}{pi}{sup 0} and {pi}{sup 0}{pi}{sup +/-} pairs from {sup 7}Li in view of the in-medium properties of hadrons. Measurements have been done using the CB/TAPS detector setup and the Glasgow photon tagging spectrometer for incident photon energies up to 820 MeV. At small invariant masses, an enhancement of the neutral invariant mass distributions is seen compared to the mixed charged channel and could be explained either by an in-medium modification of the {pi}{pi} interaction in the I = J = 0 channel or by effects related to the final state interactions.

  8. Optically active homoleptic bis(phthalocyaninato) rare earth double-decker complexes bearing peripheral chiral menthol moieties: effect of pi-pi interaction on the chiral information transfer at the molecular level.

    PubMed

    Lv, Wei; Zhu, Peihua; Bian, Yongzhong; Ma, Changqin; Zhang, Xiaomei; Jiang, Jianzhuang

    2010-07-19

    With the view to creating novel sandwich-type phthalocyaninato rare earth complexes toward new applications in material science and catalysis, d- and l-enantiomers of a series of optically active homoleptic bis(phthalocyaninato) rare earth double-deckers with four chiral menthol moieties at the peripheral positions of the phthalocyanine ligand, M(Pc*)(2) [Pc* = 2(3),9(10),16(17),23(24)-tetrakis(2-isopropyl-5-methylcyclohexoxyl)phthalocyanine; M = Eu, Y, Lu] (1-3), have been designed and prepared by treating (d)- or (l)-4-(2-isopropyl-5-methylcyclohexoxyl)-1,2-dicyanobenzene with the corresponding M(acac)(3).nH(2)O (acac = acetylacetonate) in the presence of the organic base 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) in refluxing n-pentanol. For the purpose of comparative study, heteroleptic bis(phthalocyaninato) europium analogues (d)- and (l)-Eu(Pc)(Pc*) (4) as well as the unsubstituted homoleptic bis(phthalocyaninato) europium counterpart Eu(Pc)(2) (5) were also prepared. The novel synthesized bis(phthalocyaninato) rare earth double-deckers have been characterized by a wide range of spectroscopic methods including MS, (1)H NMR, IR, and electronic absorption spectroscopic measurements in addition to elemental analysis. In contrast to the CD silent monomeric metal-free 2(3),9(10),16(17),23(24)-tetrakis(2-isopropyl-5-methylcyclohexoxyl)phthalocyanine, observation of the CD signal in the N absorption region of 4 reveals the significant effect of intramolecular pi-pi interaction on intensifying the asymmetrical perturbation of the chiral menthol units onto the phthalocyanine chromophore, which results in successful chiral information transfer from menthol moieties to the phthalocyanine chromophore at a molecular level in the heteroleptic double-decker compound 4 despite the lack of CD signal in the Soret and Q absorption regions of the phthalocyanine ligand. This is further supported by the optical activity of homoleptic bis(phthalocyaninato) rare earth double-deckers M(Pc*)(2) (1-3), as revealed by the CD signals even in the Soret and Q absorption regions according to the CD spectroscopic result, indicating the intensified asymmetrical perturbation of the chiral menthol units onto the phthalocyanine chromophores along with the increase in the chiral menthol substituent number from 4 to 1-3. The present result at the molecular level is helpful for understanding the chiral information transfer mechanism at the supermolecular level. In addition, the electrochemical properties of bis(phthalocyaninato) rare earth complexes have also been comparatively investigated by cyclic voltammetry and differential pulse voltammetry. PMID:20545317

  9. Observation of Upsilon(4S) decays to pi(+)pi(-)Upsilon(1S) and pi(+)pi(-)Upsilon(2S).

    PubMed

    Aubert, B; Barate, R; Bona, M; Boutigny, D; Couderc, F; Karyotakis, Y; Lees, J P; Poireau, V; Tisserand, V; Zghiche, A; Grauges, E; Palano, A; Chen, J C; Qi, N D; Rong, G; Wang, P; Zhu, Y S; Eigen, G; Ofte, I; Stugu, B; Abrams, G S; Battaglia, M; Brown, D N; Button-Shafer, J; Cahn, R N; Charles, E; Gill, M S; Groysman, Y; Jacobsen, R G; Kadyk, J A; Kerth, L T; Kolomensky, Yu G; Kukartsev, G; Lynch, G; Mir, L M; Oddone, P J; Orimoto, T J; Pripstein, M; Roe, N A; Ronan, M T; Wenzel, W A; Barrett, M; Ford, K E; Harrison, T J; Hart, A J; Hawkes, C M; Morgan, S E; Watson, A T; Goetzen, K; Held, T; Koch, H; Lewandowski, B; Pelizaeus, M; Peters, K; Schroeder, T; Steinke, M; Boyd, J T; Burke, J P; Cottingham, W N; Walker, D; Cuhadar-Donszelmann, T; Fulsom, B G; Hearty, C; Knecht, N S; Mattison, T S; McKenna, J A; Khan, A; Kyberd, P; Saleem, M; Teodorescu, L; Blinov, V E; Bukin, A D; Druzhinin, V P; Golubev, V B; Onuchin, A P; Serednyakov, S I; Skovpen, Yu I; Solodov, E P; Todyshev, K Yu; Best, D S; Bondioli, M; Bruinsma, M; Chao, M; Curry, S; Eschrich, I; Kirkby, D; Lankford, A J; Lund, P; Mandelkern, M; Mommsen, R K; Roethel, W; Stoker, D P; Abachi, S; Buchanan, C; Foulkes, S D; Gary, J W; Long, O; Shen, B C; Wang, K; Zhang, L; Hadavand, H K; Hill, E J; Paar, H P; Rahatlou, S; Sharma, V; Berryhill, J W; Campagnari, C; Cunha, A; Dahmes, B; Hong, T M; Kovalskyi, D; Richman, J D; Beck, T W; Eisner, A M; Flacco, C J; Heusch, C A; Kroseberg, J; Lockman, W S; Nesom, G; Schalk, T; Schumm, B A; Seiden, A; Spradlin, P; Williams, D C; Wilson, M G; Albert, J; Chen, E; Dvoretskii, A; Hitlin, D G; Narsky, I; Piatenko, T; Porter, F C; Ryd, A; Samuel, A; Andreassen, R; Mancinelli, G; Meadows, B T; Sokoloff, M D; Blanc, F; Bloom, P C; Chen, S; Ford, W T; Hirschauer, J F; Kreisel, A; Nauenberg, U; Olivas, A; Ruddick, W O; Smith, J G; Ulmer, K A; Wagner, S R; Zhang, J; Chen, A; Eckhart, E A; Soffer, A; Toki, W H; Wilson, R J; Winklmeier, F; Zeng, Q; Altenburg, D D; Feltresi, E; Hauke, A; Jasper, H; Spaan, B; Brandt, T; Klose, V; Lacker, H M; Mader, W F; Nogowski, R; Petzold, A; Schubert, J; Schubert, K R; Schwierz, R; Sundermann, J E; Volk, A; Bernard, D; Bonneaud, G R; Grenier, P; Latour, E; Thiebaux, Ch; Verderi, M; Bard, D J; Clark, P J; Gradl, W; Muheim, F; Playfer, S; Robertson, A I; Xie, Y; Andreotti, M; Bettoni, D; Bozzi, C; Calabrese, R; Cibinetto, G; Luppi, E; Negrini, M; Petrella, A; Piemontese, L; Prencipe, E; Anulli, F; Baldini-Ferroli, R; Calcaterra, A; de Sangro, R; Finocchiaro, G; Pacetti, S; Patteri, P; Peruzzi, I M; Piccolo, M; Rama, M; Zallo, A; Buzzo, A; Capra, R; Contri, R; Lo Vetere, M; Macri, M M; Monge, M R; Passaggio, S; Patrignani, C; Robutti, E; Santroni, A; Tosi, S; Brandenburg, G; Chaisanguanthum, K S; Morii, M; Wu, J; Dubitzky, R S; Marks, J; Schenk, S; Uwer, U; Bhimji, W; Bowerman, D A; Dauncey, P D; Egede, U; Flack, R L; Gaillard, J R; Nash, J A; Nikolich, M B; Panduro Vazquez, W; Chai, X; Charles, M J; Mallik, U; Meyer, N T; Ziegler, V; Cochran, J; Crawley, H B; Dong, L; Eyges, V; Meyer, W T; Prell, S; Rosenberg, E I; Rubin, A E; Gritsan, A V; Fritsch, M; Schott, G; Arnaud, N; Davier, M; Grosdidier, G; Höcker, A; Le Diberder, F; Lepeltier, V; Lutz, A M; Oyanguren, A; Pruvot, S; Rodier, S; Roudeau, P; Schune, M H; Stocchi, A; Wang, W F; Wormser, G; Cheng, C H; Lange, D J; Wright, D M; Chavez, C A; Forster, I J; Fry, J R; Gabathuler, E; Gamet, R; George, K A; Hutchcroft, D E; Payne, D J; Schofield, K C; Touramanis, C; Bevan, A J; Di Lodovico, F; Menges, W; Sacco, R; Brown, C L; Cowan, G; Flaecher, H U; Hopkins, D A; Jackson, P S; McMahon, T R; Ricciardi, S; Salvatore, F; Brown, D N; Davis, C L; Allison, J; Barlow, N R; Barlow, R J; Chia, Y M; Edgar, C L; Kelly, M P; Lafferty, G D; Naisbit, M T; Williams, J C; Yi, J I; Chen, C; Hulsbergen, W D; Jawahery, A; Lae, C K; Roberts, D A; Simi, G; Blaylock, G; Dallapiccola, C; Hertzbach, S S; Li, X; Moore, T B; Saremi, S; Staengle, H; Willocq, S Y; Cowan, R; Koeneke, K; Sciolla, G; Sekula, S J; Spitznagel, M; Taylor, F; Yamamoto, R K; Kim, H; Patel, P M; Robertson, S H; Lazzaro, A; Lombardo, V; Palombo, F; Bauer, J M; Cremaldi, L; Eschenburg, V; Godang, R; Kroeger, R; Reidy, J; Sanders, D A; Summers, D J; Zhao, H W; Brunet, S; Côté, D; Taras, P; Viaud, F B; Nicholson, H; Cavallo, N; De Nardo, G; Del Re, D; Fabozzi, F; Gatto, C; Lista, L; Monorchio, D; Paolucci, P; Piccolo, D; Sciacca, C; Baak, M; Bulten, H; Raven, G; Snoek, H L; Jessop, C P; Losecco, J M; Allmendinger, T; Benelli, G; Gan, K K; Honscheid, K; Hufnagel, D; Jackson, P D; Kagan, H; Kass, R; Pulliam, T; Rahimi, A M; Ter-Antonyan, R; Wong, Q K; Blount, N L; Brau, J; Frey, R; Igonkina, O; Lu, M; Potter, C T; Rahmat, R; Sinev, N B; Strom, D; Strube, J; Torrence, E; Galeazzi, F; Gaz, A; Margoni, M; Morandin, M; Pompili, A; Posocco, M; Rotondo, M; Simonetto, F; Stroili, R; Voci, C; Benayoun, M; Chauveau, J; David, P; Del Buono, L; de la Vaissière, Ch; Hamon, O; Hartfiel, B L; John, M J J; Malclès, J; Ocariz, J; Roos, L; Therin, G; Behera, P K; Gladney, L; Panetta, J; Biasini, M; Covarelli, R; Pioppi, M; Angelini, C; Batignani, G; Bettarini, S; Bucci, F; Calderini, G; Carpinelli, M; Cenci, R; Forti, F; Giorgi, M A; Lusiani, A; Marchiori, G; Mazur, M A; Morganti, M; Neri, N; Rizzo, G; Walsh, J; Haire, M; Judd, D; Wagoner, D E; Biesiada, J; Danielson, N; Elmer, P; Lau, Y P; Lu, C; Olsen, J; Smith, A J S; Telnov, A V; Bellini, F; Cavoto, G; D'Orazio, A; Di Marco, E; Faccini, R; Ferrarotto, F; Ferroni, F; Gaspero, M; Li Gioi, L; Mazzoni, M A; Morganti, S; Piredda, G; Polci, F; Safai Tehrani, F; Voena, C; Ebert, M; Schröder, H; Waldi, R; Adye, T; De Groot, N; Franek, B; Olaiya, E O; Wilson, F F; Emery, S; Gaidot, A; Ganzhur, S F; Hamel de Monchenault, G; Kozanecki, W; Legendre, M; Vasseur, G; Yèche, Ch; Zito, M; Park, W; Purohit, M V; Wilson, J R; Allen, M T; Aston, D; Bartoldus, R; Bechtle, P; Berger, N; Boyarski, A M; Claus, R; Coleman, J P; Convery, M R; Cristinziani, M; Dingfelder, J C; Dong, D; Dorfan, J; Dubois-Felsmann, G P; Dujmic, D; Dunwoodie, W; Field, R C; Glanzman, T; Gowdy, S J; Graham, M T; Halyo, V; Hast, C; Hryn'ova, T; Innes, W R; Kelsey, M H; Kim, P; Kocian, M L; Leith, D W G S; Li, S; Libby, J; Luitz, S; Luth, V; Lynch, H L; Macfarlane, D B; Marsiske, H; Messner, R; Muller, D R; O'grady, C P; Ozcan, V E; Perl, M; Perazzo, A; Ratcliff, B N; Roodman, A; Salnikov, A A; Schindler, R H; Schwiening, J; Snyder, A; Stelzer, J; Su, D; Sullivan, M K; Suzuki, K; Swain, S K; Thompson, J M; Va'vra, J; van Bakel, N; Weaver, M; Weinstein, A J R; Wisniewski, W J; Wittgen, M; Wright, D H; Yarritu, A K; Yi, K; Young, C C; Burchat, P R; Edwards, A J; Majewski, S A; Petersen, B A; Roat, C; Wilden, L; Ahmed, S; Alam, M S; Bula, R; Ernst, J A; Jain, V; Pan, B; Saeed, M A; Wappler, F R; Zain, S B; Bugg, W; Krishnamurthy, M; Spanier, S M; Eckmann, R; Ritchie, J L; Satpathy, A; Schilling, C J; Schwitters, R F; Izen, J M; Kitayama, I; Lou, X C; Ye, S; Bianchi, F; Gallo, F; Gamba, D; Bomben, M; Bosisio, L; Cartaro, C; Cossutti, F; Della Ricca, G; Dittongo, S; Grancagnolo, S; Lanceri, L; Vitale, L; Azzolini, V; Martinez-Vidal, F; Banerjee, Sw; Bhuyan, B; Brown, C M; Fortin, D; Hamano, K; Kowalewski, R; Nugent, I M; Roney, J M; Sobie, R J; Back, J J; Harrison, P F; Latham, T E; Mohanty, G B; Pappagallo, M; Band, H R; Chen, X; Cheng, B; Dasu, S; Datta, M; Eichenbaum, A M; Flood, K T; Hollar, J J; Kutter, P E; Li, H; Liu, R; Mellado, B; Mihalyi, A; Mohapatra, A K; Pan, Y; Pierini, M; Prepost, R; Tan, P; Wu, S L; Yu, Z; Neal, H

    2006-06-16

    Observation of Upsilon(4S) decays to pi(+)pi(-)C and pi(+)pi(-)Upsilon(2S)We present the first measurement of Upsilon(4S) decays to pi(+)pi(-)Upsilon(1S) based on a sample of 230 x 106(4S) mesons collected with the BABAR detector. We measure the product branching fractions Beta(Upsilon(4S) --> pi(+)pi(-)Upsilon(1S)) x BetaUpsilon(1S) --> mu(+)mu(-) = (2.23 +/- 0.25(stat) +/- 0.27(syst))x 10(-6) and Beta(Upsilon(4S) --> pi(+)pi(-)Upsilon(2S) x Beta(Upsilon(2S) --> mu(+)mu(-))=(1.69 +/-0.26(stat) +/- 0.20(syst)) x 10(-)6, from which we derive the partial widths Gamma(Upsilon(4S) --> pi(+)pi(-)Upsilon(1S))=(1.8 +/-0.4) keV and Gamma(Upsilon(4S) --> pi(+)pi(-)Upsilon(2S))=(2.7 +/- 0.8) keV. PMID:16803371

  10. Reexamining B{yields}{pi}{pi}, {pi}K decays in QCD factorization approach

    SciTech Connect

    Li Xinqiang; Yang Yadong

    2005-10-01

    Motivated by the recent experimental data, we have revisited the B{yields}{pi}K,{pi}{pi} decays in the framework of QCD factorization, with inclusion of the important strong penguin corrections of order {alpha}{sub s}{sup 2} induced by b{yields}Dg*g* (D=d or s and g* denotes an off-shell gluon) transitions. We find that these higher order strong penguin contributions can provide {approx}30% enhancement to the penguin-dominated B{yields}{pi}K decay rates, and such an enhancement can improve the consistency between the theoretical predictions and the experimental data significantly, while for the tree-dominated B{yields}{pi}{pi} decays, these higher order contributions play only a minor role. When these strong penguin contributions are summed, only a small strong phase remains and the direct CP asymmetries get small corrections. We also find that patterns of the ratios between the CP-averaged branching fractions remain nearly unaffected even after including these higher order corrections and the {pi}K puzzle still persists. Our results may indicate that to resolve the puzzle one would have to resort to new physics contributions in the electroweak penguin sector as found by Buras et al.

  11. Exclusive Central pi+pi- production in CDF

    SciTech Connect

    Albrow, Michael; Swiech, Artur; Zurek, Maria

    2013-10-14

    Using the Collider Detector at Fermilab, CDF, we have measured exclusive pi+pi- production at sqrt(s) = 900 GeV and 1960 GeV. The pi+pi- pair is central, |y| < 1.0, and there are no other particles detected in |eta| < 5.9. We discuss the mass spectrum, showing f0(980) and f2(1270) resonances, s-dependence, pT-dependence, and angular distributions.

  12. Stacking interactions and DNA intercalation

    SciTech Connect

    Li, Dr. Shen; Cooper, Valentino R; Thonhauser, Prof. Timo; Lundqvist, Prof. Bengt I.; Langreth, David C.

    2009-01-01

    The relationship between stacking interactions and the intercalation of proflavine and ellipticine within DNA is investigated using a nonempirical van der Waals density functional for the correlation energy. Our results, employing a binary stack model, highlight fundamental, qualitative differences between base-pair base-pair interactions and that of the stacked intercalator base pair system. Most notable result is the paucity of torque which so distinctively defines the Twist of DNA. Surprisingly, this model, when combined with a constraint on the twist of the surrounding base-pair steps to match the observed unwinding of the sugar-phosphate backbone, was sufficient for explaining the experimentally observed proflavine intercalator configuration. Our extensive mapping of the potential energy surface of base-pair intercalator interactions can provide valuable information for future nonempirical studies of DNA intercalation dynamics.

  13. Effect of unitarization on the amplitudes for the decays K{sub 1}{sup 0} {sup {yields} {pi}+{pi}-} and K{sup +} {sup {yields} {pi}+{pi}+{pi}-}

    SciTech Connect

    Shabalin, E. P.

    2010-11-15

    The unitarization of the amplitude for the decay process K{sub 1}{sup 0} {sup {yields} {pi}+{pi}-} and allowance for the rescattering of final-state pions in the decay process K{sup +} {sup {yields} {pi}+{pi}+{pi}-} make it possible to evaluate, by using the parameters extracted from data on K {sup {yields}}2{pi} decays, the K{sup +} {sup {yields} {pi}+{pi}+{pi}-} decay width. The result agrees with the experimental width value at a level of a few percent. Allowance for corrections for higher order terms of the momentum expansion of the amplitude for the decay process K{sup +} {sup {yields} {pi}+{pi}+{pi}-} leads to the slope-parameter value of g{sub ++-}{sup th} = 0.2182, which agrees with its experimental counterpart, g{sub ++-}{sup exp} = 0.2154 {+-} 0.0035.

  14. Analytical {pi}{pi} scattering amplitude and the light scalars

    SciTech Connect

    Achasov, N. N.; Kiselev, A. V.

    2011-03-01

    In this work we construct the {pi}{pi} scattering amplitude T{sub 0}{sup 0} with regular analytical properties in the s complex plane, which describes simultaneously the data on the {pi}{pi} scattering, {phi}{yields}{pi}{sup 0}{pi}0{gamma} decay, and {pi}{pi}{yields}KK reaction. The chiral shielding of the {sigma}(600) meson and its mixing with the f{sub 0}(980) meson are also taken into account. The data agrees with the four-quark nature of the {sigma}(600) and f{sub 0}(980) mesons. The amplitude in the range -5m{sub {pi}}{sup 2}

  15. Puzzles in B{yields}{pi}{pi},{pi}K decays: Possible implications for R-parity violating supersymmetry

    SciTech Connect

    Yang Yadong; Wang, Rumin; Lu, G.R.

    2006-01-01

    Recent experiments suggest that certain data of B{yields}{pi}{pi},{pi}K decays are inconsistent with the standard model expectations. We try to explain the discrepancies with R-parity violating supersymmetry. By employing the QCD factorization approach, we study these decays in the minimal supersymmetric standard model with R-parity violation. We show that R-parity violation can resolve the discrepancies in both B{yields}{pi}{pi} and B{yields}{pi}K decays, and find that in some regions of parameter space all these requirements, including the CP averaged branching ratios and the direct CP asymmetries, can be satisfied. Furthermore, we have derived stringent bounds on relevant R-parity violating couplings from the latest experimental data, and some of these constraints are stronger than the existing bounds.

  16. Possible resolution of the B{yields}{pi}{pi}, {pi}K puzzles

    SciTech Connect

    Li Hsiangnan; Mishima, Satoshi

    2011-02-01

    We show that there exist uncanceled soft divergences in the k{sub T} factorization for nonfactorizable amplitudes of two-body nonleptonic B meson decays, similar to those identified in hadron hadroproduction. These divergences can be grouped into a soft factor using the eikonal approximation, which is then treated as an additional nonperturbative input in the perturbative QCD formalism. Viewing the special role of the pion as a qq bound state and as a pseudo Nambu-Goldstone boson, we postulate that the soft effect associated with it is significant. This soft factor enhances the nonfactorizable color-suppressed tree amplitudes, such that the branching ratios B({pi}{sup 0}{pi}{sup 0}) and B({pi}{sup 0}{rho}{sup 0}) are increased under the constraint of the B({rho}{sup 0}{rho}{sup 0}) data, the difference between the direct CP asymmetries A{sub CP}({pi}{sup {+-}}K{sup {+-}}) and A{sub CP}({pi}{sup 0}K{sup {+-}}) is enlarged, and the mixing-induced CP asymmetry S{sub {pi}}{sup 0}{sub K{sub S}} is reduced. Namely, the known {pi}{pi} and {pi}K puzzles can be resolved simultaneously.

  17. Hadronic decays of the tau lepton : {tau}- {yields} ({pi}{pi}{pi})- {nu}{tau} within Resonance Chiral Theory

    SciTech Connect

    Gomez Dumm, D.; Pich, A.; Portoles, J.

    2006-01-12

    {tau} decays into hadrons foresee the study of the hadronization of vector and axial-vector QCD currents, yielding relevant information on the dynamics of the resonances entering into the processes. We analyse {tau} {yields} {pi}{pi}{pi}{nu}{tau} decays within the framework of the Resonance Chiral Theory, comparing this theoretical scheme with the experimental data, namely ALEPH spectral function and branching ratio. Hence we get values for the mass and on-shell width of the a 1 (1260) resonance, and provide the structure functions that have been measured by OPAL and CLEO-II.

  18. Dynamical coupled-channels study of {pi}N{yields}{pi}{pi}N reactions

    SciTech Connect

    Kamano, H.; Julia-Diaz, B.; Lee, T.-S. H.; Matsuyama, A.; Sato, T.

    2009-02-15

    As a step toward performing a complete coupled-channels analysis of the world data of {pi}N,{gamma}*N{yields}{pi}N,{eta}N,{pi}{pi}N reactions, the {pi}N{yields}{pi}{pi}N reactions are investigated starting with the dynamical coupled-channels model developed in Phys. Rev. C 76, 065201 (2007). The channels included are {pi}N,{eta}N, and {pi}{pi}N which has {pi}{delta},{rho}N, and {sigma}N resonant components. The nonresonant amplitudes are generated from solving a set of coupled-channels equations with the meson-baryon potentials defined by effective Lagrangians. The resonant amplitudes are generated from 16 bare excited nucleon (N*) states that are dressed by the nonresonant interactions as constrained by the unitarity condition. The data of total cross sections and {pi}N and {pi}{pi} invariant mass distributions of {pi}{sup +}p{yields}{pi}{sup +}{pi}{sup +}n,{pi}{sup +}{pi}{sup 0}p and {pi}{sup -}p{yields}{pi}{sup +}{pi}{sup -}n,{pi}{sup -}{pi}{sup 0}p,{pi}{sup 0}{pi}{sup 0}n reactions from threshold to the invariant mass W=2 GeV can be described to a very large extent. We show the importance of the coupled-channels effects and the strong interference among the contributions from the {pi}{delta},{sigma}N, and {rho}N channels. The large interference between the resonant and nonresonant amplitudes is also demonstrated. Possible future developments are discussed.

  19. P wave {pi}{pi} amplitude from dispersion relations

    SciTech Connect

    Szczepaniak, Adam P.; Guo, Peng; Battaglieri, M.; De Vita, R.

    2010-08-01

    We solve the dispersion relation for the P-wave {pi}{pi} amplitude. We discuss the role of the left-hand cut vs the Castillejo-Dalitz-Dyson pole contribution and compare the solution with a generic quark model description. We review the generic properties of analytical partial wave scattering and production amplitudes and discuss their applicability and fits of experimental data.

  20. Dispersion relation bounds for {pi}{pi} scattering

    SciTech Connect

    Manohar, Aneesh V.; Mateu, Vicent

    2008-05-01

    Axiomatic principles such as analyticity, unitarity, and crossing symmetry constrain the second derivative of the {pi}{pi} scattering amplitudes in some channels to be positive in a region of the Mandelstam plane. Since this region lies in the domain of validity of chiral perturbation theory, we can use these positivity conditions to bound linear combinations of l{sub 1} and l{sub 2}. We compare our predictions with those derived previously in the literature using similar methods. We compute the one-loop {pi}{pi} scattering amplitude in the linear sigma model (LSM) using the MS scheme, a result hitherto absent in the literature. The LSM values for l{sub 1} and l{sub 2} violate the bounds for small values of m{sub {sigma}}/m{sub {pi}}. We show how this can occur, while still being consistent with the axiomatic principles.

  1. Testing the dynamics of B ->pi pi and constraints onalpha

    SciTech Connect

    Grossman, Yuval; Hocker, Andreas; Ligeti, Zoltan; Pirjol, Dan

    2005-07-07

    In charmless nonleptonic B decays to {pi}{pi} or {rho}{rho}, the ''color allowed'' and ''color suppressed'' tree amplitudes can be studied in a systematic expansion in {alpha}{sub s}(m{sub b}) and {Lambda}{sub QCD}/m{sub b}. At leading order in this expansion their relative strong phase vanishes. The implications of this prediction are obscured by penguin contributions. They propose to use this prediction to test the relative importance of the various penguin amplitudes using experimental data. The present B {yields} {pi}{pi} data suggest that there are large corrections to the heavy quark limit, which can be due to power corrections to the tree amplitudes, large up-penguin amplitude, or enhanced weak annihilation. Because the penguin contributions are smaller, the heavy quark limit is more consistent with the B {yields} {rho}{rho} data, and its implications may become important for the extraction of {alpha} from this mode in the future.

  2. Effective low-energy, large- N Lagrangian calculation of the K r arrow. pi. pi. pi. gamma. decay modes

    SciTech Connect

    Fajfer, S.; Suruliz, K. ); Oakes, R.J. )

    1990-12-01

    Branching ratios for the decays {ital K}{sup +}{r arrow}{pi}{sup +}{pi}{sup +}{pi}{sup {minus}}{gamma}, {ital K}{sup +}{r arrow}{pi}{sup +}{pi}{sup 0}{pi}{sup 0}{gamma}, and {ital K}{sub {ital L}}{sup 0}{r arrow}{pi}{sup +}{pi}{sup {minus}}{pi}{sup 0}{gamma} are calculated in the large-{ital N} limit using an effective low-energy Lagrangian which gives a good description of the nonradiative {ital K}{r arrow}{pi}{pi}{pi} decays. In addition to the bremsstrahlung contributions to the amplitude, the direct-emission terms are systematically included and found to be significant. The results are in reasonable agreement with the existing data.

  3. The Search for Exotic Mesons in gammap-->pi+pi+pi?n with CLAS at Jefferson Lab

    SciTech Connect

    Craig Bookwalter

    2010-08-01

    In addition to ordinary qq-bar pairs, quantum chromodynamics (QCD) permits many other possibilities in meson spectra, such as gluonic hybrids, glueballs, and tetraquarks. Experimental discovery and study of these exotic states provides insight on the nonperturbative regime of QCD. Over the past twenty years, some searches for exotic mesons have met with controversial results, especially those obtained in the three-pion system. Prior theoretical work indicates that in photoproduction one should find gluonic hybrids at significantly enhanced levels compared to that found in pion production. To that end, the CLAS g12 run was recently completed at Jefferson Lab, using a liquid hydrogen target and tagged photons from a 5.71 GeV electron beam. The CLAS experimental apparatus was modified to maximize forward acceptance for peripheral production of mesons. The resulting data contains the world's largest 3pi photoproduction dataset, with gammap-->pi+pi+pi?n events numbering in the millions. Early results describing the data quality, kinematics, and dysnamics will be shown.

  4. Nonfactorizable Contributions to B {yields} {pi}{pi} Decays

    SciTech Connect

    Feldmann, T.

    2004-09-17

    We investigate to what extent the experimental information on B {yields} {pi}{pi} branching fractions and CP asymmetries can be used to better understand the QCD dynamics in these decays. For this purpose we decompose the independent isospin amplitudes into factorizable and non-factorizable contributions. The former can be estimated within the framework of QCD factorization for exclusive B decays. The latter vanish in the heavy-quark limit, m{sub b} {yields} {infinity}, and are treated as unknown hadronic parameters. We discuss at some length in which way the non-factorizable contributions are treated in different theoretical and phenomenological frameworks. We point out the potential differences between the phenomenological treatment of power-corrections in the ''BBNS approach'', and the appearance of power-suppressed operators in soft-collinear effective theory (SCET). On that basis we define a handful of different (but generic) scenarios where the non-factorizable part of isospin amplitudes is parameterized in terms of three or four unknowns, which can be constrained by data. We also give some short discussion on the implications of our analysis for B {yields} {pi}K decays. In particular, since non-factorizable QCD effects in B {yields} {pi}{pi} may be large, we cannot exclude sizeable non-factorizable effects, which violate SU(3){sub F} flavour symmetry, or even isospin symmetry (via long-distance QED effects). This may help to explain certain puzzles in connection with isospin-violating observables in B {yields} {pi}K decays.

  5. Stacking interactions in PUF-RNA complexes

    SciTech Connect

    Yiling Koh, Yvonne; Wang, Yeming; Qiu, Chen; Opperman, Laura; Gross, Leah; Tanaka Hall, Traci M; Wickens, Marvin

    2012-07-02

    Stacking interactions between amino acids and bases are common in RNA-protein interactions. Many proteins that regulate mRNAs interact with single-stranded RNA elements in the 3' UTR (3'-untranslated region) of their targets. PUF proteins are exemplary. Here we focus on complexes formed between a Caenorhabditis elegans PUF protein, FBF, and its cognate RNAs. Stacking interactions are particularly prominent and involve every RNA base in the recognition element. To assess the contribution of stacking interactions to formation of the RNA-protein complex, we combine in vivo selection experiments with site-directed mutagenesis, biochemistry, and structural analysis. Our results reveal that the identities of stacking amino acids in FBF affect both the affinity and specificity of the RNA-protein interaction. Substitutions in amino acid side chains can restrict or broaden RNA specificity. We conclude that the identities of stacking residues are important in achieving the natural specificities of PUF proteins. Similarly, in PUF proteins engineered to bind new RNA sequences, the identity of stacking residues may contribute to 'target' versus 'off-target' interactions, and thus be an important consideration in the design of proteins with new specificities.

  6. Study of the D0 \\to Pi Pi- Pi0 Decay at BaBar

    SciTech Connect

    Gaspero, Mario; /Rome U. /INFN, Rome

    2012-04-06

    The Dalitz-plot of the decay D{sup 0} {yields} {pi}{sup +}{pi}{sup -}{pi}{sup 0} measured by the BABAR collaboration shows the structure of a final state having quantum numbers I{sup G}J{sup PC} = 0{sup -}0{sup 2-}. An isospin analysis of this Dalitz-plot finds that the fraction of the I = 0 contribution is about 96%. This high I = 0 contribution is unexpected because the weak interaction violates the isospin.

  7. Boron- and Nitrogen-Doped Phenalenyls: Unexpected 2e/ and 4e/all-sites pi-pi Covalency and Genuine Pancake Double Bonding

    SciTech Connect

    Tian, Yong-Hui; Huang, Jingsong; Sumpter, Bobby G

    2015-06-18

    Phenalenyl is an important neutral pi-radical due to its capability to form unconventional pancake pi-pi bonding interactions, whereas its analogues with graphitic boron (B) or nitrogen (N)-doping have been regarded as closed-shell systems and therefore received much less attention. By using high-level quantum chemistry calculations, we show that the B- and N-doped closed-shell phenalenyls unexpectedly form open-shell singlet pi-dimers with diradicaloid character featuring 2e/all-sites double pi-pi bonding. Moreover, by proper substitutions, the doped phenalenyl derivatives can be made open-shell species that form closed shell singlet pi-dimers bound by stronger 4e/all-sites double pi-pi bonding. The covalent pi-pi bonding overlap is distributed on all of the atomic sites giving robust and genuine pancake-shaped pi-dimers which, depending on the number of electrons available in the bonding interactions, are equally or more stable than the pi-dimers of the pristine phenalenyl.

  8. Two-channel. pi pi. and. pi omega. problem and the rho'(1250) meson

    SciTech Connect

    Khenner, V.K.

    1980-01-01

    The two-channel ..pi pi.. and ..pi omega.. problem with I=J=1 is studied by means of the matrix N/D method. It is shown that there can exist in the ..pi omega.. system a rho'(1250) meson which produces no resonance effect in the phase shift delta/sub pipi/, while satisfying the conditions of unitarity and analyticity. The influence of the ..pi omega.. channel on the ..pi pi.. scattering amplitude is considered.

  9. Measurements of new physics in B{yields}{pi}{pi} decays

    SciTech Connect

    Baek, Seungwon; London, David; Botella, F. J.; Silva, Joao P.

    2005-12-01

    If new physics (NP) is present in B{yields}{pi}{pi} decays, it can affect the isospin I=2 or I=0 channels. In this paper, we discuss various methods for detecting and measuring this NP. The techniques have increasing amounts of theoretical hadronic input. If NP is eventually detected in B{yields}{pi}{pi}--there is no evidence for it at present--one will be able to distinguish I=2 and I=0, and measure its parameters, using these methods.

  10. Measurement of alpha / phi_2 from B to pi pi Decays

    SciTech Connect

    Bevan, A.J.

    2007-01-17

    The current results on B {yields} {pi}{pi} decays and SU(2) constraints on the Unitarity Triangle angle {alpha} or {phi}{sub 2} from the B-factories are summarized. Based on these measurements, predictions of the isospin analysis constraints at the end of the lifetime of both B-factories are given.

  11. Determination of the S-Wave Pi Pi Scattering Lengths From a Study of K - to Pi - Pi0 Pi0 Decays

    SciTech Connect

    Batley, J.R.; Culling, A.J.; Kalmus, G.; Lazzeroni, C.; Munday, D.J.; Slater, M.W.; Wotton, S.A.; Arcidiacono, R.; Bocquet, G.; Cabibbo, N.; Ceccucci, A.; Cundy, D.; Falaleev, V.; Fidecaro, M.; Gatignon, L.; Gonidec, A.; Kubischta, W.; Norton, A.; Maier, A.; Patel, M.; Peters, A.; /CERN /Dubna, JINR /Pisa, Scuola Normale Superiore /Dubna, JINR /Dubna, JINR /Birmingham U. /Dubna, JINR /CERN /Dubna, JINR /Dubna, JINR /Sofiya U. /Dubna, JINR /Dubna, JINR /Dubna, JINR /INFN, Perugia /Dubna, JINR /Dubna, JINR /Northwestern U. /Dubna, JINR /Chicago U., EFI /Marseille, CPPM /Chicago U., EFI /Edinburgh U. /George Mason U. /Edinburgh U. /Ferrara U. /INFN, Ferrara /Florence U. /INFN, Florence /Florence U. /INFN, Florence /Pisa, Scuola Normale Superiore /INFN, Florence /Modena U. /INFN, Florence /INFN, Florence /Urbino U. /INFN, Florence /Mainz U., Inst. Phys. /Bonn U. /Mainz U., Inst. Phys. /Northwestern U. /SLAC /Northwestern U. /Northwestern U. /Royal Holloway, U. of London /Northwestern U. /Northwestern U. /UCLA /Perugia U. /INFN, Perugia /Frascati /Perugia U. /INFN, Perugia /INFN, Perugia /INFN, Pisa /Pisa, Scuola Normale Superiore /INFN, Pisa /Pisa U. /INFN, Pisa /Pisa U. /INFN, Pisa /Barcelona, IFAE /Pisa U. /INFN, Pisa /DSM, DAPNIA, Saclay /DSM, DAPNIA, Saclay /CERN /DSM, DAPNIA, Saclay /Siegen U. /INFN, Turin /Turin U. /INFN, Turin /Bern U. /Turin U. /INFN, Turin /CERN /Turin U. /INFN, Turin /Madrid, CIEMAT /Vienna, OAW

    2012-03-29

    We report the results from a study of the full sample of {approx}6.031 x 10{sup 7} K{sup {+-}} {yields} {pi}{sup {+-}}{pi}{sup 0}{pi}{sup 0} decays recorded by the NA48/2 experiment at the CERN SPS. As first observed in this experiment, the {pi}{sup 0}{pi}{sup 0} invariant mass (M{sub 00}) distribution shows a cusp-like anomaly in the region around M{sub 00} = 2m{sub +}, where m{sub +} is the charged pion mass. This anomaly has been interpreted as an effect due mainly to the final state charge exchange scattering process {pi}{sup +}{pi}{sup -} {yields} {pi}{sup 0}{pi}{sup 0} in K{sup {+-}} {yields} {pi}{sup {+-}}{pi}{sup +}{pi}{sup -} decay. Fits to the M{sub 00} distribution using two different theoretical formulations provide the presently most precise determination of a{sub 0} - a{sub 2}, the difference between the {pi}{pi} S-wave scattering lengths in the isospin I = 0 and I = 2 states. Higher-order {pi}{pi} rescattering terms, included in the two formulations, allow also an independent, though less precise, determination of a{sub 2}.

  12. Testing the dynamics of B{yields}{pi}{pi} and constraints on {alpha}

    SciTech Connect

    Grossman, Yuval; Hoecker, Andreas; Ligeti, Zoltan; Pirjol, Dan

    2005-11-01

    In charmless nonleptonic B decays to {pi}{pi} or {rho}{rho}, the 'color allowed' and 'color suppressed' tree amplitudes can be studied in a systematic expansion in {alpha}{sub s}(m{sub b}) and {lambda}{sub QCD}/m{sub b}. At leading order in this expansion their relative strong phase vanishes. The implications of this prediction are obscured by penguin contributions. We propose to use this prediction to test the relative importance of the various penguin amplitudes using experimental data. The present B{yields}{pi}{pi} data suggest that there are large corrections to the heavy quark limit, which can be due to power corrections to the tree amplitudes, large up-penguin amplitude, or enhanced weak annihilation. Because the penguin contributions are smaller, the heavy quark limit is more consistent with the B{yields}{rho}{rho} data, and its implications may become important for the extraction of {alpha} from this mode in the future.

  13. I=2 pi-pi Scattering from Fully-Dynamical Mixed-Action Lattice QCD

    SciTech Connect

    Silas R. Beane; Paulo F. Bedaque; Kostas Orginos; Martin J. Savage

    2005-06-11

    We compute the I=2 {pi}{pi} scattering length at pion masses of m{sub {pi}} = 294, 348 and 484 MeV in fully-dynamical lattice QCD using Luescher's finite-volume method. The calculation is performed with domain-wall valence-quark propagators on asqtad-improved MILC configurations with staggered sea quarks. Chiral perturbation theory is used to perform the extrapolation of the scattering length from lattice quark masses down to the physical value, and we find m{sub {pi}}a{sub 2} = -0.0426 {+-} 0.0006 {+-} 0.0003 {+-} 0.0018, in good agreement with experiment. The I = 2 {pi}{pi} scattering phase shift is calculated to be {delta} = -43 {+-} 10 {+-} 5 degrees at |p| {approx} 544 MeV for m{pi} {approx} 484 MeV.

  14. B {sup {yields}} {pi}{pi} decays: Branching ratios and CP asymmetries

    SciTech Connect

    Kaidalov, A. B. Vysotsky, M. I.

    2007-04-15

    Theoretically motivated smallness of the penguin amplitude in B {sup {yields}} {pi}{pi} decays allows one to calculate the value of the unitarity-triangle angle {alpha}(o{sub 2}) with good accuracy. The relatively large branching ratio of the decay into {pi}{sup 0}{pi}{sup 0} is explained by the large value of FSI phase difference between decay amplitudes with I = 0 and I = 2.

  15. Observation of CP violation in B(0) --> K(+)pi(-) and B(0) --> pi(+)pi(-).

    PubMed

    Aubert, B; Bona, M; Boutigny, D; Karyotakis, Y; Lees, J P; Poireau, V; Prudent, X; Tisserand, V; Zghiche, A; Garra Tico, J; Grauges, E; Lopez, L; Palano, A; Eigen, G; Ofte, I; Stugu, B; Sun, L; Abrams, G S; Battaglia, M; Brown, D N; Button-Shafer, J; Cahn, R N; Groysman, Y; Jacobsen, R G; Kadyk, J A; Kerth, L T; Kolomensky, Yu G; Kukartsev, G; Lopes Pegna, D; Lynch, G; Mir, L M; Orimoto, T J; Pripstein, M; Roe, N A; Ronan, M T; Tackmann, K; Wenzel, W A; Del Amo Sanchez, P; Hawkes, C M; Watson, A T; Held, T; Koch, H; Lewandowski, B; Pelizaeus, M; Schroeder, T; Steinke, M; Cottingham, W N; Walker, D; Asgeirsson, D J; Cuhadar-Donszelmann, T; Fulsom, B G; Hearty, C; Knecht, N S; Mattison, T S; McKenna, J A; Khan, A; Saleem, M; Teodorescu, L; Blinov, V E; Bukin, A D; Druzhinin, V P; Golubev, V B; Onuchin, A P; Serednyakov, S I; Skovpen, Yu I; Solodov, E P; Todyshev, K Yu; Bondioli, M; Curry, S; Eschrich, I; Kirkby, D; Lankford, A J; Lund, P; Mandelkern, M; Martin, E C; Stoker, D P; Abachi, S; Buchanan, C; Foulkes, S D; Gary, J W; Liu, F; Long, O; Shen, B C; Zhang, L; Paar, H P; Rahatlou, S; Sharma, V; Berryhill, J W; Campagnari, C; Cunha, A; Dahmes, B; Hong, T M; Kovalskyi, D; Richman, J D; Beck, T W; Eisner, A M; Flacco, C J; Heusch, C A; Kroseberg, J; Lockman, W S; Schalk, T; Schumm, B A; Seiden, A; Williams, D C; Wilson, M G; Winstrom, L O; Chen, E; Cheng, C H; Dvoretskii, A; Fang, F; Hitlin, D G; Narsky, I; Piatenko, T; Porter, F C; Mancinelli, G; Meadows, B T; Mishra, K; Sokoloff, M D; Blanc, F; Bloom, P C; Chen, S; Ford, W T; Hirschauer, J F; Kreisel, A; Nagel, M; Nauenberg, U; Olivas, A; Smith, J G; Ulmer, K A; Wagner, S R; Zhang, J; Gabareen, A M; Soffer, A; Toki, W H; Wilson, R J; Winklmeier, F; Zeng, Q; Altenburg, D D; Feltresi, E; Hauke, A; Jasper, H; Merkel, J; Petzold, A; Spaan, B; Wacker, K; Brandt, T; Klose, V; Lacker, H M; Mader, W F; Nogowski, R; Schubert, J; Schubert, K R; Schwierz, R; Sundermann, J E; Volk, A; Bernard, D; Bonneaud, G R; Latour, E; Lombardo, V; Thiebaux, Ch; Verderi, M; Clark, P J; Gradl, W; Muheim, F; Playfer, S; Robertson, A I; Xie, Y; Andreotti, M; Bettoni, D; Bozzi, C; Calabrese, R; Cecchi, A; Cibinetto, G; Franchini, P; Luppi, E; Negrini, M; Petrella, A; Piemontese, L; Prencipe, E; Santoro, V; Anulli, F; Baldini-Ferroli, R; Calcaterra, A; de Sangro, R; Finocchiaro, G; Pacetti, S; Patteri, P; Peruzzi, I M; Piccolo, M; Rama, M; Zallo, A; Buzzo, A; Contri, R; Lo Vetere, M; Macri, M M; Monge, M R; Passaggio, S; Patrignani, C; Robutti, E; Santroni, A; Tosi, S; Chaisanguanthum, K S; Morii, M; Wu, J; Dubitzky, R S; Marks, J; Schenk, S; Uwer, U; Bard, D J; Dauncey, P D; Flack, R L; Nash, J A; Nikolich, M B; Panduro Vazquez, W; Behera, P K; Chai, X; Charles, M J; Mallik, U; Meyer, N T; Ziegler, V; Cochran, J; Crawley, H B; Dong, L; Eyges, V; Meyer, W T; Prell, S; Rosenberg, E I; Rubin, A E; Gritsan, A V; Guo, Z J; Lae, C K; Denig, A G; Fritsch, M; Schott, G; Arnaud, N; Béquilleux, J; Davier, M; Grosdidier, G; Höcker, A; Lepeltier, V; Le Diberder, F; Lutz, A M; Pruvot, S; Rodier, S; Roudeau, P; Schune, M H; Serrano, J; Sordini, V; Stocchi, A; Wang, W F; Wormser, G; Lange, D J; Wright, D M; Chavez, C A; Forster, I J; Fry, J R; Gabathuler, E; Gamet, R; Hutchcroft, D E; Payne, D J; Schofield, K C; Touramanis, C; Bevan, A J; George, K A; Di Lodovico, F; Menges, W; Sacco, R; Cowan, G; Flaecher, H U; Hopkins, D A; Jackson, P S; McMahon, T R; Salvatore, F; Wren, A C; Brown, D N; Davis, C L; Allison, J; Barlow, N R; Barlow, R J; Chia, Y M; Edgar, C L; Lafferty, G D; West, T J; Yi, J I; Anderson, J; Chen, C; Jawahery, A; Roberts, D A; Simi, G; Tuggle, J M; Blaylock, G; Dallapiccola, C; Hertzbach, S S; Li, X; Moore, T B; Salvati, E; Saremi, S; Cowan, R; Fisher, P H; Sciolla, G; Sekula, S J; Spitznagel, M; Taylor, F; Yamamoto, R K; McLachlin, S E; Patel, P M; Robertson, S H; Lazzaro, A; Palombo, F; Bauer, J M; Cremaldi, L; Eschenburg, V; Godang, R; Kroeger, R; Sanders, D A; Summers, D J; Zhao, H W; Brunet, S; Côté, D; Simard, M; Taras, P; Viaud, F B; Nicholson, H; De Nardo, G; Fabozzi, F; Lista, L; Monorchio, D; Sciacca, C; Baak, M A; Raven, G; Snoek, H L; Jessop, C P; Losecco, J M; Benelli, G; Corwin, L A; Gan, K K; Honscheid, K; Hufnagel, D; Kagan, H; Kass, R; Morris, J P; Rahimi, A M; Regensburger, J J; Ter-Antonyan, R; Wong, Q K; Blount, N L; Brau, J; Frey, R; Igonkina, O; Kolb, J A; Lu, M; Rahmat, R; Sinev, N B; Strom, D; Strube, J; Torrence, E; Gagliardi, N; Gaz, A; Margoni, M; Morandin, M; Pompili, A; Posocco, M; Rotondo, M; Simonetto, F; Stroili, R; Voci, C; Ben-Haim, E; Briand, H; Chauveau, J; David, P; Del Buono, L; de la Vaissière, Ch; Hamon, O; Hartfiel, B L; Leruste, Ph; Malclès, J; Ocariz, J; Perez, A; Gladney, L; Biasini, M; Covarelli, R; Manoni, E; Angelini, C; Batignani, G; Bettarini, S; Calderini, G; Carpinelli, M; Cenci, R; Cervelli, A; Forti, F

    2007-07-13

    We report observations of CP violation in the decays B(0) --> K(+)pi(-) and B(0) --> pi(+)pi(-) in a sample of 383 x 10(6) Upsilon(4S) --> BB[over] events. We find 4372+/-82 B(0) --> K(+)pi(-) decays and measure the direct CP-violating charge asymmetry A(Kpi) = -0.107+/-0.018(stat)(-0.004)(+0.007)(syst), which excludes the CP-conserving hypothesis with a significance of 5.5 standard deviations. In the same sample, we find 1139+/-49 B(0) --> pi(+)pi(-) decays and measure the CP-violating asymmetries S(pipi) = -0.60+/-0.11(stat)+/-0.03(syst) and C(pipi) = -0.21+/-0.09(stat)+/-0.02(syst). CP conservation in B(0) --> pi(+)pi(-) (S(pipi) = C(pipi) = 0) is excluded at a confidence level 1-C.L. = 8 x 10(-8), corresponding to 5.4 standard deviations. PMID:17678212

  16. Large electroweak penguin contribution in B{yields}K{pi} and {pi}{pi} decay modes

    SciTech Connect

    Mishima, Satoshi; Yoshikawa, Tadashi

    2004-11-01

    We discuss a possibility of large electroweak penguin contribution in B{yields}K{pi} and {pi}{pi} from recent experimental data. The experimental data may be suggesting that there are some discrepancies between the data and theoretical estimation in the branching ratios of them. In B{yields}K{pi} decays, to explain it, a large electroweak penguin contribution and large strong phase differences seem to be needed. The contributions should appear also in B{yields}{pi}{pi}. We show, as an example, a solution to solve the discrepancies in both B{yields}K{pi} and B{yields}{pi}{pi}. However the magnitude of the parameters and the strong phase estimated from experimental data are quite large compared with the theoretical estimations. It may be suggesting some new physics effects are included in these processes. We will have to discuss about the dependence of the new physics. To explain both modes at once, we may need large electroweak penguin contribution with new weak phases and some SU(3) breaking effects by new physics in both QCD and electroweak penguin-type processes.

  17. Reaction {pi}N {yields} {pi}{pi}N near threshold

    SciTech Connect

    Frlez, E.

    1993-11-01

    The LAMPF E1179 experiment used the {pi}{sup 0} spectrometer and an array of charged particle range counters to detect and record {pi}{sup +}{pi}{sup 0}, {pi}{sup 0}p, and {pi}{sup +}{pi}{sup 0}p coincidences following the reaction {pi}{sup +}p {yields} {pi}{sup 0}{pi}{sup +}p near threshold. The total cross sections for single pion production were measured at the incident pion kinetic energies 190, 200, 220, 240, and 260 MeV. Absolute normalizations were fixed by measuring {pi}{sup +}p elastic scattering at 260 MeV. A detailed analysis of the {pi}{sup 0} detection efficiency was performed using cosmic ray calibrations and pion single charge exchange measurements with a 30 MeV {pi}{sup {minus}} beam. All published data on {pi}N {yields} {pi}{pi}N, including our results, are simultaneously fitted to yield a common chiral symmetry breaking parameter {xi} ={minus}0.25{plus_minus}0.10. The threshold matrix element {vert_bar}{alpha}{sub 0}({pi}{sup 0}{pi}{sup +}p){vert_bar} determined by linear extrapolation yields the value of the s-wave isospin-2 {pi}{pi} scattering length {alpha}{sub 0}{sup 2}({pi}{pi}) = {minus}0.041{plus_minus}0.003 m{sub {pi}}{sup {minus}1}, within the framework of soft-pion theory.

  18. Simple description of {pi}{pi} scattering to 1 GeV

    SciTech Connect

    Harada, M.; Sannino, F.; Schechter, J.

    1996-08-01

    Motivated by the 1/{ital N}{sub {ital c}} expansion, we present a simple model of {pi}{pi} scattering as a sum of a {ital current}-{ital algebra} contact term and resonant pole exchanges. The model preserves crossing symmetry as well as unitarity up to 1.2 GeV. Key features include chiral dynamics, vector meson dominance, a broad low energy scalar ({sigma}) meson, and a {ital Ramsauer}-{ital Townsend} mechanism for the understanding of the 980 MeV region. We discuss in detail the {ital regularization} (corresponding to rescattering effects) necessary to make all these nice features work. {copyright} {ital 1996 The American Physical Society.}

  19. Search for CP violation in the decays D0 --> K- K+ and D0 --> pi- pi+.

    PubMed

    Aubert, B; Bona, M; Boutigny, D; Karyotakis, Y; Lees, J P; Poireau, V; Prudent, X; Tisserand, V; Zghiche, A; Garra Tico, J; Grauges, E; Lopez, L; Palano, A; Pappagallo, M; Eigen, G; Stugu, B; Sun, L; Abrams, G S; Battaglia, M; Brown, D N; Button-Shafer, J; Cahn, R N; Groysman, Y; Jacobsen, R G; Kadyk, J A; Kerth, L T; Kolomensky, Yu G; Kukartsev, G; Lopes Pegna, D; Lynch, G; Mir, L M; Orimoto, T J; Osipenkov, I L; Ronan, M T; Tackmann, K; Tanabe, T; Wenzel, W A; Del Amo Sanchez, P; Hawkes, C M; Watson, A T; Koch, H; Schroeder, T; Walker, D; Asgeirsson, D J; Cuhadar-Donszelmann, T; Fulsom, B G; Hearty, C; Mattison, T S; McKenna, J A; Barrett, M; Khan, A; Saleem, M; Teodorescu, L; Blinov, V E; Bukin, A D; Druzhinin, V P; Golubev, V B; Onuchin, A P; Serednyakov, S I; Skovpen, Yu I; Solodov, E P; Todyshev, K Yu; Bondioli, M; Curry, S; Eschrich, I; Kirkby, D; Lankford, A J; Lund, P; Mandelkern, M; Martin, E C; Stoker, D P; Abachi, S; Buchanan, C; Foulkes, S D; Gary, J W; Liu, F; Long, O; Shen, B C; Vitug, G M; Zhang, L; Paar, H P; Rahatlou, S; Sharma, V; Berryhill, J W; Campagnari, C; Cunha, A; Dahmes, B; Hong, T M; Kovalskyi, D; Richman, J D; Beck, T W; Eisner, A M; Flacco, C J; Heusch, C A; Kroseberg, J; Lockman, W S; Schalk, T; Schumm, B A; Seiden, A; Wilson, M G; Winstrom, L O; Chen, E; Cheng, C H; Fang, F; Hitlin, D G; Narsky, I; Piatenko, T; Porter, F C; Andreassen, R; Mancinelli, G; Meadows, B T; Mishra, K; Sokoloff, M D; Blanc, F; Bloom, P C; Chen, S; Ford, W T; Hirschauer, J F; Kreisel, A; Nagel, M; Nauenberg, U; Olivas, A; Smith, J G; Ulmer, K A; Wagner, S R; Zhang, J; Gabareen, A M; Soffer, A; Toki, W H; Wilson, R J; Winklmeier, F; Altenburg, D D; Feltresi, E; Hauke, A; Jasper, H; Merkel, J; Petzold, A; Spaan, B; Wacker, K; Klose, V; Kobel, M J; Lacker, H M; Mader, W F; Nogowski, R; Schubert, J; Schubert, K R; Schwierz, R; Sundermann, J E; Volk, A; Bernard, D; Bonneaud, G R; Latour, E; Lombardo, V; Thiebaux, Ch; Verderi, M; Clark, P J; Gradl, W; Muheim, F; Playfer, S; Robertson, A I; Watson, J E; Xie, Y; Andreotti, M; Bettoni, D; Bozzi, C; Calabrese, R; Cecchi, A; Cibinetto, G; Franchini, P; Luppi, E; Negrini, M; Petrella, A; Piemontese, L; Prencipe, E; Santoro, V; Anulli, F; Baldini-Ferroli, R; Calcaterra, A; de Sangro, R; Finocchiaro, G; Pacetti, S; Patteri, P; Peruzzi, I M; Piccolo, M; Rama, M; Zallo, A; Buzzo, A; Contri, R; Lo Vetere, M; Macri, M M; Monge, M R; Passaggio, S; Patrignani, C; Robutti, E; Santroni, A; Tosi, S; Chaisanguanthum, K S; Morii, M; Wu, J; Dubitzky, R S; Marks, J; Schenk, S; Uwer, U; Bard, D J; Dauncey, P D; Flack, R L; Nash, J A; Panduro Vazquez, W; Tibbetts, M; Behera, P K; Chai, X; Charles, M J; Mallik, U; Cochran, J; Crawley, H B; Dong, L; Eyges, V; Meyer, W T; Prell, S; Rosenberg, E I; Rubin, A E; Gao, Y Y; Gritsan, A V; Guo, Z J; Lae, C K; Denig, A G; Fritsch, M; Schott, G; Arnaud, N; Béquilleux, J; D'Orazio, A; Davier, M; Grosdidier, G; Höcker, A; Lepeltier, V; Le Diberder, F; Lutz, A M; Pruvot, S; Rodier, S; Roudeau, P; Schune, M H; Serrano, J; Sordini, V; Stocchi, A; Wang, W F; Wormser, G; Lange, D J; Wright, D M; Bingham, I; Burke, J P; Chavez, C A; Fry, J R; Gabathuler, E; Gamet, R; Hutchcroft, D E; Payne, D J; Schofield, K C; Touramanis, C; Bevan, A J; George, K A; Di Lodovico, F; Sacco, R; Cowan, G; Flaecher, H U; Hopkins, D A; Paramesvaran, S; Salvatore, F; Wren, A C; Brown, D N; Davis, C L; Allison, J; Bailey, D; Barlow, N R; Barlow, R J; Chia, Y M; Edgar, C L; Lafferty, G D; West, T J; Yi, J I; Anderson, J; Chen, C; Jawahery, A; Roberts, D A; Simi, G; Tuggle, J M; Blaylock, G; Dallapiccola, C; Hertzbach, S S; Li, X; Moore, T B; Salvati, E; Saremi, S; Cowan, R; Dujmic, D; Fisher, P H; Koeneke, K; Sciolla, G; Spitznagel, M; Taylor, F; Yamamoto, R K; Zhao, M; Zheng, Y; McLachlin, S E; Patel, P M; Robertson, S H; Lazzaro, A; Palombo, F; Bauer, J M; Cremaldi, L; Eschenburg, V; Godang, R; Kroeger, R; Sanders, D A; Summers, D J; Zhao, H W; Brunet, S; Côté, D; Simard, M; Taras, P; Viaud, F B; Nicholson, H; De Nardo, G; Fabozzi, F; Lista, L; Monorchio, D; Sciacca, C; Baak, M A; Raven, G; Snoek, H L; Jessop, C P; Knoepfel, K J; Losecco, J M; Benelli, G; Corwin, L A; Honscheid, K; Kagan, H; Kass, R; Morris, J P; Rahimi, A M; Regensburger, J J; Sekula, S J; Wong, Q K; Blount, N L; Brau, J; Frey, R; Igonkina, O; Kolb, J A; Lu, M; Rahmat, R; Sinev, N B; Strom, D; Strube, J; Torrence, E; Gagliardi, N; Gaz, A; Margoni, M; Morandin, M; Pompili, A; Posocco, M; Rotondo, M; Simonetto, F; Stroili, R; Voci, C; Ben-Haim, E; Briand, H; Calderini, G; Chauveau, J; David, P; Del Buono, L; de la Vaissière, Ch; Hamon, O; Leruste, Ph; Malclès, J; Ocariz, J; Perez, A; Prendki, J; Gladney, L; Biasini, M; Covarelli, R; Manoni, E; Angelini, C; Batignani, G; Bettarini, S; Carpinelli, M; Cenci, R; Cervelli, A; Forti, F; Giorgi, M A; Lusiani, A; Marchiori, G

    2008-02-15

    We measure time-integrated CP-violating asymmetries of neutral charmed mesons in the modes D0 --> K(-) K(+) and D0 --> pi(-) pi(+) with the highest precision to date by using D0 --> K(-) pi(+) decays to correct detector asymmetries. An analysis of 385.8 fb(-1) of data collected with the BABAR detector yields values of a(CP)(KK)=(0.00+/-0.34(stat)+/-0.13(syst))% and a(CP)(pipi)=(-0.24+/-0.52(stat)+/-0.22(syst))%, which agree with standard model predictions. PMID:18352456

  20. Improved measurements of CP-violating asymmetry amplitudes in B0-->pi+pi- decays.

    PubMed

    Aubert, B; Barate, R; Boutigny, D; Couderc, F; Karyotakis, Y; Lees, J P; Poireau, V; Tisserand, V; Zghiche, A; Grauges-Pous, E; Palano, A; Pompili, A; Chen, J C; Qi, N D; Rong, G; Wang, P; Zhu, Y S; Eigen, G; Ofte, I; Stugu, B; Abrams, G S; Borgland, A W; Breon, A B; Brown, D N; Button-Shafer, J; Cahn, R N; Charles, E; Day, C T; Gill, M S; Gritsan, A V; Groysman, Y; Jacobsen, R G; Kadel, R W; Kadyk, J; Kerth, L T; Kolomensky, Yu G; Kukartsev, G; Lynch, G; Mir, L M; Oddone, P J; Orimoto, T J; Pripstein, M; Roe, N A; Ronan, M T; Wenzel, W A; Barrett, M; Ford, K E; Harrison, T J; Hart, A J; Hawkes, C M; Morgan, S E; Watson, A T; Fritsch, M; Goetzen, K; Held, T; Koch, H; Lewandowski, B; Pelizaeus, M; Peters, K; Schroeder, T; Steinke, M; Boyd, J T; Burke, J P; Chevalier, N; Cottingham, W N; Kelly, M P; Latham, T E; Wilson, F F; Cuhadar-Donszelmann, T; Hearty, C; Knecht, N S; Mattison, T S; McKenna, J A; Thiessen, D; Khan, A; Kyberd, P; Teodorescu, L; Blinov, A E; Blinov, V E; Druzhinin, V P; Golubev, V B; Ivanchenko, V N; Kravchenko, E A; Onuchin, A P; Serednyakov, S I; Skovpen, Yu I; Solodov, E P; Yushkov, A N; Best, D; Bruinsma, M; Chao, M; Eschrich, I; Kirkby, D; Lankford, A J; Mandelkern, M; Mommsen, R K; Roethel, W; Stoker, D P; Buchanan, C; Hartfiel, B L; Weinstein, A J R; Foulkes, S D; Gary, J W; Long, O; Shen, B C; Wang, K; Del Re, D; Hadavand, H K; Hill, E J; Macfarlane, D B; Paar, H P; Rahatlou, Sh; Sharma, V; Berryhill, J W; Campagnari, C; Cunha, A; Dahmes, B; Hong, T M; Lu, A; Mazur, M A; Richman, J D; Verkerke, W; Beck, T W; Eisner, A M; Flacco, C J; Heusch, C A; Kroseberg, J; Lockman, W S; Nesom, G; Schalk, T; Schumm, B A; Seiden, A; Spradlin, P; Williams, D C; Wilson, M G; Albert, J; Chen, E; Dubois-Felsmann, G P; Dvoretskii, A; Hitlin, D G; Narsky, I; Piatenko, T; Porter, F C; Ryd, A; Samuel, A; Yang, S; Jayatilleke, S; Mancinelli, G; Meadows, B T; Sokoloff, M D; Blanc, F; Bloom, P; Chen, S; Ford, W T; Nauenberg, U; Olivas, A; Rankin, P; Ruddick, W O; Smith, J G; Ulmer, K A; Zhang, J; Zhang, L; Chen, A; Eckhart, E A; Harton, J L; Soffer, A; Toki, W H; Wilson, R J; Zeng, Q; Spaan, B; Altenburg, D; Brandt, T; Brose, J; Dickopp, M; Feltresi, E; Hauke, A; Lacker, H M; Maly, E; Nogowski, R; Otto, S; Petzold, A; Schott, G; Schubert, J; Schubert, K R; Schwierz, R; Sundermann, J E; Bernard, D; Bonneaud, G R; Grenier, P; Schrenk, S; Thiebaux, Ch; Vasileiadis, G; Verderi, M; Bard, D J; Clark, P J; Muheim, F; Playfer, S; Xie, Y; Andreotti, M; Azzolini, V; Bettoni, D; Bozzi, C; Calabrese, R; Cibinetto, G; Luppi, E; Negrini, M; Piemontese, L; Sarti, A; Anulli, F; Baldini-Ferroli, R; Calcaterra, A; de Sangro, R; Finocchiaro, G; Patteri, P; Peruzzi, I M; Piccolo, M; Zallo, A; Buzzo, A; Capra, R; Contri, R; Crosetti, G; Lo Vetere, M; Macri, M; Monge, M R; Passaggio, S; Patrignani, C; Robutti, E; Santroni, A; Tosi, S; Bailey, S; Brandenburg, G; Chaisanguanthum, K S; Morii, M; Won, E; Dubitzky, R S; Langenegger, U; Marks, J; Uwer, U; Bhimji, W; Bowerman, D A; Dauncey, P D; Egede, U; Gaillard, J R; Morton, G W; Nash, J A; Nikolich, M B; Taylor, G P; Charles, M J; Grenier, G J; Mallik, U; Mohapatra, A K; Cochran, J; Crawley, H B; Lamsa, J; Meyer, W T; Prell, S; Rosenberg, E I; Rubin, A E; Yi, J; Arnaud, N; Davier, M; Giroux, X; Grosdidier, G; Höcker, A; Le Diberder, F; Lepeltier, V; Lutz, A M; Petersen, T C; Pierini, M; Plaszczynski, S; Schune, M H; Wormser, G; Cheng, C H; Lange, D J; Simani, M C; Wright, D M; Bevan, A J; Chavez, C A; Coleman, J P; Forster, I J; Fry, J R; Gabathuler, E; Gamet, R; Hutchcroft, D E; Parry, R J; Payne, D J; Touramanis, C; Cormack, C M; Di Lodovico, F; Brown, C L; Cowan, G; Flack, R L; Flaecher, H U; Green, M G; Jackson, P S; McMahon, T R; Ricciardi, S; Salvatore, F; Winter, M A; Brown, D; Davis, C L; Allison, J; Barlow, N R; Barlow, R J; Hodgkinson, M C; Lafferty, G D; Naisbit, M T; Williams, J C; Chen, C; Farbin, A; Hulsbergen, W D; Jawahery, A; Kovalskyi, D; Lae, C K; Lillard, V; Roberts, D A; Blaylock, G; Dallapiccola, C; Hertzbach, S S; Kofler, R; Koptchev, V B; Moore, T B; Saremi, S; Staengle, H; Willocq, S; Cowan, R; Koeneke, K; Sciolla, G; Sekula, S J; Taylor, F; Yamamoto, R K; Patel, P M; Robertson, S H; Lazzaro, A; Lombardo, V; Palombo, F; Bauer, J M; Cremaldi, L; Eschenburg, V; Godang, R; Kroeger, R; Reidy, J; Sanders, D A; Summers, D J; Zhao, H W; Brunet, S; Côté, D; Taras, P; Nicholson, H; Cavallo, N; Fabozzi, F; Gatto, C; Lista, L; Monorchio, D; Paolucci, P; Piccolo, D; Sciacca, C; Baak, M; Bulten, H; Raven, G; Snoek, H L; Wilden, L; Jessop, C P; Losecco, J M; Allmendinger, T; Benelli, G; Gan, K K; Honscheid, K; Hufnagel, D; Kagan, H; Kass, R; Pulliam, T; Rahimi, A M; Ter-Antonyan, R; Wong, Q K; Brau, J; Frey, R; Igonkina, O; Lu, M; Potter, C T; Sinev, N B; Strom, D; Torrence, E; Colecchia, F; Dorigo, A; Galeazzi, F; Margoni, M; Morandin, M; Posocco, M; Rotondo, M; Simonetto, F; Stroili, R; Voci, C; Benayoun, M; Briand, H; Chauveau, J; David, P; Del Buono, L; de la Vaissière, Ch; Hamon, O; John, M J J; Leruste, Ph; Malclès, J; Ocariz, J; Roos, L; Therin, G; Behera, P K; Gladney, L; Guo, Q H; Panetta, J; Biasini, M; Covarelli, R; Pioppi, M; Angelini, C; Batignani, G; Bettarini, S; Bondioli, M; Bucci, F; Calderini, G; Carpinelli, M; Forti, F; Giorgi, M A; Lusiani, A; Marchiori, G; Morganti, M; Neri, N; Paoloni, E; Rama, M; Rizzo, G; Simi, G; Walsh, J; Haire, M; Judd, D; Paick, K; Wagoner, D E; Danielson, N; Elmer, P; Lau, Y P; Lu, C; Miftakov, V; Olsen, J; Smith, A J S; Telnov, A V; Bellini, F; Cavoto, G; D'Orazio, A; Di Marco, E; Faccini, R; Ferrarotto, F; Ferroni, F; Gaspero, M; Li Gioi, L; Mazzoni, M A; Morganti, S; Piredda, G; Polci, F; Tehrani, F Safai; Voena, C; Christ, S; Schröder, H; Wagner, G; Waldi, R; Adye, T; De Groot, N; Franek, B; Gopal, G P; Olaiya, E O; Aleksan, R; Emery, S; Gaidot, A; Ganzhur, S F; Giraud, P-F; Hamel de Monchenault, G; Kozanecki, W; Legendre, M; London, G W; Mayer, B; Vasseur, G; Yèche, Ch; Zito, M; Purohit, M V; Weidemann, A W; Wilson, J R; Yumiceva, F X; Abe, T; Aston, D; Bartoldus, R; Berger, N; Boyarski, A M; Buchmueller, O L; Claus, R; Convery, M R; Cristinziani, M; De Nardo, G; Dingfelder, J C; Dong, D; Dorfan, J; Dujmic, D; Dunwoodie, W; Fan, S; Field, R C; Glanzman, T; Gowdy, S J; Hadig, T; Halyo, V; Hast, C; Hryn'ova, T; Innes, W R; Kelsey, M H; Kim, P; Kocian, M L; Leith, D W G S; Libby, J; Luitz, S; Luth, V; Lynch, H L; Marsiske, H; Messner, R; Muller, D R; O'grady, C P; Ozcan, V E; Perazzo, A; Perl, M; Ratcliff, B N; Roodman, A; Salnikov, A A; Schindler, R H; Schwiening, J; Snyder, A; Soha, A; Stelzer, J; Strube, J; Su, D; Sullivan, M K; Va'vra, J; Wagner, S R; Weaver, M; Wisniewski, W J; Wittgen, M; Wright, D H; Yarritu, A K; Young, C C; Burchat, P R; Edwards, A J; Majewski, S A; Petersen, B A; Roat, C; Ahmed, M; Ahmed, S; Alam, M S; Ernst, J A; Saeed, M A; Saleem, M; Wappler, F R; Bugg, W; Krishnamurthy, M; Spanier, S M; Eckmann, R; Kim, H; Ritchie, J L; Satpathy, A; Schwitters, R F; Izen, J M; Kitayama, I; Lou, X C; Ye, S; Bianchi, F; Bona, M; Gallo, F; Gamba, D; Bosisio, L; Cartaro, C; Cossutti, F; Della Ricca, G; Dittongo, S; Grancagnolo, S; Lanceri, L; Poropat, P; Vitale, L; Vuagnin, G; Martinez-Vidal, F; Panvini, R S; Banerjee, Sw; Bhuyan, B; Brown, C M; Fortin, D; Hamano, K; Jackson, P D; Kowalewski, R; Roney, J M; Sobie, R J; Back, J J; Harrison, P F; Mohanty, G B; Band, H R; Chen, X; Cheng, B; Dasu, S; Datta, M; Eichenbaum, A M; Flood, K T; Graham, M; Hollar, J J; Johnson, J R; Kutter, P E; Li, H; Liu, R; Mihalyi, A; Pan, Y; Prepost, R; Tan, P; von Wimmersperg-Toeller, J H; Wu, J; Wu, S L; Yu, Z; Greene, M G; Neal, H

    2005-10-01

    We present updated measurements of the CP-violating parameters Spipi and Cpipi in B0-->pi+pi- decays. Using a sample of 227x10(6) Upsilon(4S)-->BB decays collected with the BABAR detector at the PEP-II asymmetric-energy e(+)e(-) collider at SLAC, we observe 467+/-33 signal decays and measure Spipi=-0.30+/-0.17(stat)+/-0.03(syst) and Cpipi=-0.09+/-0.15(stat)+/-0.04(syst). PMID:16241716

  1. Quantifying the ?-Stacking Interactions in Nitroarene Binding Sites of Proteins.

    PubMed

    An, Yi; Bloom, Jacob W G; Wheeler, Steven E

    2015-11-12

    Stacking interactions in nitroarene binding sites of proteins were studied through analyses of structures in the protein data bank (PDB), as well as DFT and ab initio computations applied to model systems. Stacked dimers of mono-, di-, and trinitrobenzene with the amino acid side chains histidine (His), phenylalanine (Phe), tyrosine (Tyr), and tryptophan (Trp) were optimized at the B97-D/TZV(2d,2p) level of theory. Binding energies for the global minimum dimer geometries were further refined at the estimated CCSD(T)/aug-cc-pVTZ level of theory. The results show that the interactions between aromatic amino acids and nitroarenes are very strong (up to -14.6 kcal mol(-1)), and the regiochemistry of the nitro substituents plays a significant role in the relative monomer orientations and strength of the interaction. In contrast to model stacked benzene dimers, effects of nitro substituents in stacking complexes with aromatic amino acid side chains are not perfectly additive. This is attributed to direct interactions of the nitro substituents with functional groups in the amino acid side chain. Overall, the strength of stacking interactions with these nitrobenzenes follows the order Trp > Tyr > Phe ? His. We also analyzed nitroarene binding sites in the PDB. Out of 216 selected crystal structures containing nitroarene ligands, 191 have nearby aromatic residues, providing 65 examples of ?-stacking interactions involving a nitroarene. Of these, the representations of the different aromatic amino acids (Trp > Tyr > Phe > His) are correlated with the strength of model complexes of nitroarenes, with the exception of His. B97-D computations applied to complexes extracted from these crystal structures reveal that ?-stacking interactions between the nitroarene and aromatic amino acid side chains exhibit a broad range of strengths, with many contributing significantly to binding. PMID:26491883

  2. The target asymmetry P_z in {gamma}p-->p{pi}^+{pi}^- with the CLAS spectrometer at Jefferson Laboratory

    SciTech Connect

    Sungkyun Park, CLAS Collaboration

    2012-04-01

    The study of baryon resonances provides a deeper understanding of the strong interaction because the dynamics and relevant degrees of freedom hidden within them are reflected by the properties of the excited states of baryons. Higher-lying excited states at and above 1.9 GeV/c{sup 2} are generally predicted to have strong couplings to the {pi}{pi}N final states via {pi}{Delta} or {rho}N intermediate states. Double-pion photoproduction is therefore important to find and investigate properties of highmass resonances. The CLAS g9a (FROST) experiment, as part of the N* spectroscopy program at Jefferson Laboratory (JLab), has accumulated photoproduction data using linearly- and circularly-polarized photons incident on a longitudinally-polarized butanol target in the photon energy range 0.3 to 2.4 GeV. In this contribution, the extraction of the target asymmetry for the reaction {gamma}p {yields} p{pi}{sup +}{pi}{sup -} will be described and preliminary results will be presented.

  3. Precision measurement of {pi}{pi} scattering lengths at the NA48/2 experiment

    SciTech Connect

    Venditti, Stefano

    2010-12-28

    The NA48/2 experiment at CERN [1] collected {approx}18{center_dot}10{sup 9} charged kaon decays during the years 2003/4. Along with the primary goals of the collaboration, i.e. the measurement of the CP-violating asymmetry in the K{sup {+-}}{yields}{pi}{sup {+-}}{pi}{sup +}{pi}{sup -} and K{sup {+-}}{yields}{pi}{sup {+-}}{pi}{sup 0}{pi}{sup 0} decays thanks to the simultaneous collection of K{sup +} and K{sup -} events, the collected data allowed to perform many other interesting analyses. In this paper two independent measurements of {pi}{pi} scattering lengths will be reviewed, using NA48/2 data from the K{sup {+-}}{yields}e{sup {+-}}{nu}{pi}{sup +}{pi}{sup -} decay and from the cusp effect in K{sup {+-}}{yields}{pi}{sup {+-}}{pi}{sup +}{pi}{sup -} respectively.

  4. Measuring the charged pion polarizability in the gamma gamma -> pi+pi- reaction

    SciTech Connect

    Lawrence, David W.; Miskimen, Rory A.; Mushkarenkov, Alexander Nikolaevich; Smith, Elton S.

    2013-08-01

    Development has begun of a new experiment to measure the charged pion polarizability $\\alpha_{\\pi}-\\beta_{\\pi}$. The charged pion polarizability ranks among the most important tests of low-energy QCD presently unresolved by experiment. Analogous to precision measurements of $\\pi^{\\circ}\\rightarrow\\gamma\\gamma$ that test the intrinsic odd-parity (anomalous) sector of QCD, the pion polarizability tests the intrinsic even-parity sector of QCD. The measurement will be performed using the $\\gamma\\gamma\\rightarrow\\pi^{+{}}\\pi^{-{}}$ cross section accessed via the Primakoff mechanism on nuclear targets using the GlueX detector in Hall D at Jefferson Lab. The linearly polarized photon source in Hall-D will be utilized to separate the Primakoff cross-section from coherent $\\rho^{\\circ}$ production.

  5. Measurement of Branching Fractions and Mass Spectra of B to K pi pi gamma

    SciTech Connect

    Aubert, B.; Barate, R.; Boutigny, D.; Couderc, F.; Karyotakis, Y.; Lees, J.P.; Poireau, V.; Tisserand, V.; Zghiche, A.; Grauges, E.; Palano, A.; Pappagallo, M.; Pompili, A.; Chen, J.C.; Qi, N.D.; Rong, G.; Wang, P.; Zhu, Y.S.; Eigen, G.; Ofte, I.; Stugu, B. /Bergen U. /LBL, Berkeley /UC, Berkeley /Birmingham U. /Ruhr U., Bochum /Bristol U. /British Columbia U. /Brunel U. /Novosibirsk, IYF /UC, Irvine /UCLA /UC, Riverside /UC, San Diego /UC, Santa Barbara /UC, Santa Cruz /Caltech /Cincinnati U. /Colorado U. /Colorado State U. /Dortmund U. /Dresden, Tech. U. /Ecole Polytechnique /Edinburgh U. /Ferrara U. /INFN, Ferrara /Frascati /Genoa U. /INFN, Genoa /Harvard U. /Heidelberg U. /Imperial Coll., London /Iowa U. /Iowa State U. /Orsay, LAL /LLNL, Livermore /Liverpool U. /Queen Mary, U. of London /Royal Holloway, U. of London /Louisville U. /Manchester U. /Maryland U. /Massachusetts U., Amherst /MIT, LNS /McGill U. /Milan U. /INFN, Milan /Mississippi U. /Montreal U. /Mt. Holyoke Coll. /Naples U. /INFN, Naples /NIKHEF, Amsterdam /Notre Dame U. /Ohio State U. /Oregon U. /INFN, Padua /Padua U. /Paris U., VI-VII /Pennsylvania U. /Perugia U. /INFN, Perugia /Pisa U. /Pisa, Scuola Normale Superiore /INFN, Pisa /Prairie View A-M /Princeton U. /Rome U. /INFN, Rome /Rostock U. /Rutherford /DAPNIA, Saclay /South Carolina U. /SLAC /Stanford U., Phys. Dept. /SUNY, Albany /Tennessee U. /Texas U. /Texas U., Dallas /Turin U. /INFN, Turin /Trieste U. /INFN, Trieste /Valencia U., IFIC /Vanderbilt U. /Victoria U. /Warwick U. /Wisconsin U., Madison /Yale U.

    2005-07-12

    The authors present a measurement of the partial branching fractions and mass spectra of the exclusive radiative penguin processes B {yields} K{pi}{pi}{gamma} in the range m{sub K{pi}{pi}} < 1.8 GeV/c{sup 2}. They reconstruct four final states: K{sup +}{pi}{sup -}{pi}{sup +}{gamma}, K{sup +}{pi}{sup -}{pi}{sup 0}{gamma}, K{sub S}{sup 0}{pi}{sup -}{pi}{sup +}{gamma}, and K{sub S}{sup 0}{pi}{sup +}{pi}{sup 0}{gamma}, where K{sub S}{sup 0} {yields} {pi}{sup +}{pi}{sup -}. Using 232 million e{sup +}e{sup -} {yields} B{bar B} events recorded by the BABAR experiment at the PEP-II asymmetric-energy storage ring, they measure the branching fractions {Beta}(B{sup +} {yields} K{sup +}{pi}{sup -}{pi}{sup +}{gamma}) = (2.95 {+-} 0.13(stat.) {+-} 0.20(syst)) x 10{sup -5}, {Beta}(B{sup 0} {yields} K{sup +}{pi}{sup -}{pi}{sup 0}{gamma}) = (4.07 {+-} 0.22(stat.) {+-} 0.31(syst.)) x 10{sup -5}, {Beta}(B{sup 0} {yields} K{sup 0}{pi}{sup +}{pi}{sup -}{gamma}) = (1.85 {+-} 0.21(stat.) {+-} 0.12(syst.)) x 10{sup -5}, and {Beta}(B{sup +} {yields} K{sup 0}{pi}{sup +}{pi}{sup 0}{gamma}) = (4.56 {+-} 0.42(stat.) {+-} 0.31(syst.)) x 10{sup -5}.

  6. Aromatic stacking interactions govern catalysis in aryl-alcohol oxidase.

    PubMed

    Ferreira, Patricia; Hernández-Ortega, Aitor; Lucas, Fátima; Carro, Juan; Herguedas, Beatriz; Borrelli, Kenneth W; Guallar, Victor; Martínez, Angel T; Medina, Milagros

    2015-08-01

    Aryl-alcohol oxidase (AAO, EC 1.1.3.7) generates H2 O2 for lignin degradation at the expense of benzylic and other π system-containing primary alcohols, which are oxidized to the corresponding aldehydes. Ligand diffusion studies on Pleurotus eryngii AAO showed a T-shaped stacking interaction between the Tyr92 side chain and the alcohol substrate at the catalytically competent position for concerted hydride and proton transfers. Bi-substrate kinetics analysis revealed that reactions with 3-chloro- or 3-fluorobenzyl alcohols (halogen substituents) proceed via a ping-pong mechanism. However, mono- and dimethoxylated substituents (in 4-methoxybenzyl and 3,4-dimethoxybenzyl alcohols) altered the mechanism and a ternary complex was formed. Electron-withdrawing substituents resulted in lower quantum mechanics stacking energies between aldehyde and the tyrosine side chain, contributing to product release, in agreement with the ping-pong mechanism observed in 3-chloro- and 3-fluorobenzyl alcohol kinetics analysis. In contrast, the higher stacking energies when electron donor substituents are present result in reaction of O2 with the flavin through a ternary complex, in agreement with the kinetics of methoxylated alcohols. The contribution of Tyr92 to the AAO reaction mechanism was investigated by calculation of stacking interaction energies and site-directed mutagenesis. Replacement of Tyr92 by phenylalanine does not alter the AAO kinetic constants (on 4-methoxybenzyl alcohol), most probably because the stacking interaction is still possible. However, introduction of a tryptophan residue at this position strongly reduced the affinity for the substrate (i.e. the pre-steady state Kd and steady-state Km increase by 150-fold and 75-fold, respectively), and therefore the steady-state catalytic efficiency, suggesting that proper stacking is impossible with this bulky residue. The above results confirm the role of Tyr92 in substrate binding, thus governing the kinetic mechanism in AAO. PMID:25639975

  7. Measurement of CP Asymmetries and Branching Fractions in B to pi pi and B to K pi Decays.

    SciTech Connect

    Aubert, B

    2006-09-26

    The authors present preliminary measurements of the Cp asymmetries and branching fractions for B {yields} {pi}{pi} and B {yields} K{pi} decays. A total of 347 million B{bar B} events collected by the BABAR detector at the PEP-II asymmetric-energy e{sup +}e{sup -} collider at SLAC are used for these results.

  8. Observation of CP Violation in B0 to K+pi- and B0 to pi+pi-

    SciTech Connect

    Aubert, B.

    2007-03-14

    The authors report observations of CP violation in the decays B{sup 0} {yields} K{sup +}{pi}{sup -} and B{sup 0} {yields} {pi}{sup +}{pi}{sup -} in a sample of 383 million {Upsilon}(4S) {yields} B{bar B} events. They find 4372 {+-} 82 B{sup 0} {yields} K{sup +}{pi}{sup -} decays and measure the direct Cp-violating charge asymmetry {Alpha}{sub K{pi}} = -0.107 {+-} 0.018(stat){sub -0.004}{sup +0.007}(syst), which excludes the CP-conserving hypothesis with a significance of 5.5 standard deviations. In the same sample they find 1139 {+-} 49 B{sup 0} {yields} {pi}{sup +}{pi}{sup -} decays and measure the CP-violating asymmetries S{sub {pi}{pi}} = -0.60 {+-} 0.11(stat) {+-} 0.03(syst) and C{sub {pi}{pi}} = -0.21 {+-} 0.09(stat) {+-} 0.02(syst). CP conservation in B{sup 0} {yields} {pi}{sup +}{pi}{sup -} (S{sub {pi}{pi}} = C{sub {pi}{pi}} = 0) is excluded at a confidence level 1-C.L. = 8 x 10{sup -8}, corresponding to 5.4 standard deviations.

  9. Double Pancake Bonds: Pushing the Limits of Strong ?–? Stacking Interactions

    PubMed Central

    2014-01-01

    The concept of a double-bonded pancake bonding mechanism is introduced to explain the extremely short ?–? stacking contacts in dimers of dithiatriazines. While ordinary single pancake bonds occur between radicals and already display significantly shorter interatomic distances in comparison to van der Waals (vdW) contacts, the double-bonded pancake dimer is based on diradicaloid or antiaromatic molecules and exhibits even shorter and stronger intermolecular bonds that breach into the range of extremely stretched single bonds in terms of bond distances and binding energies. These properties give rise to promising possibilities in the design of new materials with high electrical conductivity and for the field of spintronics. The analysis of the double pancake bond is based on cutting edge electron correlation theory combining multireference (nondynamical) effects and dispersion (dynamical) contributions in a balanced way providing accurate interaction energies and distributions of unpaired spins. It is also shown that the present examples do not stand isolated but that similar mechanisms operate in several analogous nonradical molecular systems to form double-bonded ?-stacking pancake dimers. We report on the amazing properties of a new type of stacking interaction mechanism between ? conjugated molecules in the form of a “double pancake bond” which breaks the record for short intermolecular distances and provides formidable strength for some ?–? stacking interactions. PMID:25203200

  10. Combining information from B{yields}{pi}{pi} and B{yields}{pi}{rho},{pi}{omega} decays

    SciTech Connect

    Sowa, M.; Zenczykowski, P.

    2005-06-01

    We consider the B{yields}{pi}{pi} and B{yields}{pi}{rho},{pi}{omega} decays alongside each other, taking into account the contributions from all individual penguin amplitudes generated by the internal t, c, and u quarks. We argue that three ratios of penguin amplitudes, each for a different internal quark, formed by dividing the individual penguin amplitude in B{yields}{pi}{pi} by the corresponding amplitude in B{yields}{pi}{rho},{pi}{omega}, should be equal. We study the implications of the assumed existence of this connection between B{yields}{pi}{pi} and B{yields}{pi}{rho},{pi}{omega}. First, accepting that in the B{yields}{pi}{pi} decays the ratio C/T of the color-suppressed factorization amplitude C to the tree factorization amplitude T is negligible, we determine the ratio of individual penguin amplitudes. Then, from the B{yields}{pi}{rho},{pi}{omega} data, we extract the effective (i.e. possibly containing some penguin terms) tree and the effective color-suppressed amplitudes relevant for these processes, and the corresponding solutions for the factorization amplitudes. Finally, we argue that the C/T ratio in B{yields}{pi}{pi} should be identical to its counterpart in B{yields}{pi}{rho},{pi}{omega} (relevant for pion emission from the decaying b quark). This constraint permits the determination of C/T and of other amplitude ratios directly from the data. Although the |C/T| ratio extracted from the available data still carries a substantial error, it is consistent with the expected value of 0.25-0.5.

  11. Stacking and hydrogen bond interactions between adenine and gallic acid.

    PubMed

    Lorenzo, Isidro; Graña, Ana M

    2013-12-01

    We have performed DFT and DFT-SAPT calculations on dimers of gallic acid, the model system for plant polyphenols, and the DNA base adenine. These dimers were selected for this study as they exhibit simultaneously hydrogen bonds and stacking interactions and it allows to quantify the relative values of these interactions. We calculate the relationships between the stability of the complexes, the charge transfer between monomers and the properties of the intermolecular bonds including hydrogen bonds and other bonds that do not involve hydrogen atoms. DFT-SAPT calculations were also performed to obtain the participation of the different types of energy and so the resulting physical effects. The results show that the presence of hydrogen bonds is the main stabilizing factor for dimers: the higher number and strength, the lower the dimer energy. The contribution of stacking to the stabilization is related to the strength and number of bonds between non-hydrogen atoms and quantified by the contribution of the dispersion terms to the interaction energy. Dimers I and II are mainly stabilized due to hydrogen bonds whereas dimer III is mainly stabilized by stacking interactions. PMID:24154612

  12. Scalar resonances in a unitary {pi}{pi} S-wave model for D{sup +} {r_arrow} {pi}{sup+}{pi}{sup-}{pi}{sup+}.

    SciTech Connect

    Boito, D. R.; Dedonder, J.-P.; El-Bennich, B.; Leitner, O.; Loiseau, B.; Physics; Univ. Autonoma de Barcelona; Univ. de Sao Paulo; Univ. Paris; Pl. Jussieu; Lab. Nazionali de Frascati

    2009-02-19

    We propose a model for D{sup +} {yields} {pi}{sup +}{pi}{sup -}{pi}{sup +} decays following experimental results which indicate that the two-pion interaction in the S wave is dominated by the scalar resonances f{sub 0}(600)/{sigma} and f{sub 0}(980). The weak decay amplitude for D{sup +} {yields} R{pi}{sup +}, where R is a resonance that subsequently decays into {pi}{sup +}{pi}{sup -}, is constructed in a factorization approach. In the S wave, we implement the strong decay R {yields} {pi}{sup +}{pi}{sup -} by means of a scalar form factor. This provides a unitary description of the pion-pion interaction in the entire kinematically allowed mass range m{sub {pi}{pi}}{sup 2} from threshold to about 3 GeV{sup 2}. In order to reproduce the experimental Dalitz plot for D{sup +} {yields} {pi}{sup +}{pi}{sup -}{pi}{sup +}, we include contributions beyond the S wave. For the P wave, dominated by the {rho}(770){sup 0}, we use a Breit-Wigner description. Higher waves are accounted for by using the usual isobar prescription for the f{sub 2}(1270) and {rho}(1450){sup 0}. The major achievement is a good reproduction of the experimental m{sub {pi}{pi}}{sup 2} distribution, and of the partial as well as the total D{sup +} {yields} {pi}{sup +}{pi}{sup -}{pi}{sup +} branching ratios. Our values are generally smaller than the experimental ones. We discuss this shortcoming and, as a by-product, we predict a value for the poorly known D {yields} {sigma} transition form factor at q{sup 2} = m{sub {pi}}{sup 2}.

  13. Atomic-scale details of dislocation - stacking fault tetrahedra interaction.

    SciTech Connect

    Osetskiy, Yury N; Stoller, Roger E; Rodney, David; Bacon, David J

    2005-01-01

    Stacking fault tetrahedra (SFTs) are formed during irradiation of fcc. metals and alloys with low stacking fault energy. The high number density of SFTs observed suggests that they should contribute to radiation-induced hardening and, therefore, be taken into account when estimating mechanical property changes of irradiated materials. The key issue is to describe the interaction between a moving dislocation and an individual SFT, which is characterized by a small physical scale of about 100 nm. In this paper we present results of an atomistic simulation of edge and screw dislocations interacting with small SFTs at different temperatures and strain rates and present mechanisms which can explain the formation of defect-free channels observed experimentally.

  14. I=2{pi}{pi} scattering phase shift with two flavors of Oa improved dynamical quarks

    SciTech Connect

    Yamazaki, T.; Aoki, S.; Kanaya, K.; Fukugita, M.; Ishikawa, K-I.; Okawa, M.; Ishizuka, N.; Iwasaki, Y.; Ukawa, A.; Yoshie, T.; Kaneko, T.; Kuramashi, Y.

    2004-10-01

    We present a lattice QCD calculation of phase shift including the chiral and continuum extrapolations in two-flavor QCD. The calculation is carried out for I=2 S-wave {pi}{pi} scattering. The phase shift is evaluated for two momentum systems, the center of mass and laboratory systems, by using the finite-volume method proposed by Luescher in the center of mass system and its extension to general systems by Rummukainen and Gottlieb. The measurements are made at three different bare couplings {beta}=1.80, 1.95 and 2.10 using a renormalization group improved gauge and a tadpole improved clover fermion action, and employing a set of configurations generated for hadron spectroscopy in our previous work. The illustrative values we obtain for the phase shift in the continuum limit are {delta}(deg.)=-3.50(64), -9.5(30) and -16.9(64) for {radical}(s)(GeV)=0.4, 0.6 and 0.8, which are consistent with experiments.

  15. Diffractive Dissociation into {pi}{sup -{pi}-{pi}+} Final States at COMPASS

    SciTech Connect

    Haas, Florian

    2011-10-24

    QCD predicts gluonic excitations like hybrids to contribute to the meson spectrum in addition to qq-bar pair configurations. The most promising way to identify such states is the search for J{sup PC} quantum number combinations which are forbidden in the constituent quark model. The fixed target COMPASS experiment at CERN offers the opportunity to search for such states in the light quark sector with an unprecedented statistics.Diffractive reactions of 190 GeV/c pions on a lead target were studied by COMPASS during a pilot run in 2004. A Partial Wave Analysis (PWA) of the {pi}{sup -{pi}-{pi}+} final state with 42 waves including acceptance corrections through a phase-space Monte Carlo simulation of the spectrometer was performed. The exotic {pi}{sup 1}(1600) meson with quantum numbers J{sup PC} = 1{sup -+} has been clearly established in the rho-pi decay channel with a mass of 1660{+-}10(stat) MeV/c{sup 2} and a width of 269{+-}21(stat) MeV/c{sup 2}. The improved detector performance in 2008 allows us to study this channel with significantly higher statistics. First results of the ongoing analysis of the 2008 data taking period, using a 190 GeV/c pion beam on a liquid hydrogen target are presented in this paper.

  16. Diffractive Dissociation into {pi}{sup -{pi}-{pi}+} Final States at COMPASS

    SciTech Connect

    Haas, Florian

    2010-08-05

    QCD predicts gluonic excitations like hybrids to contribute to the meson spectrum in addition to qq-bar pair configurations. The most promising way to identify such states is the search for J{sup PC} quantum number combinations which are forbidden in the constituent quark model. The fixed target COMPASS experiment at CERN offers the opportunity to search for such states in the light quark sector with an unprecedented statistics.Diffractive reactions of 190 GeV/c pions on a lead target were studied by COMPASS during a pilot run in 2004. A Partial Wave Analysis (PWA) of the {pi}{sup -{pi}-{pi}+} final state with 42 waves including acceptance corrections through a phase-space Monte Carlo simulation of the spectrometer was performed. The exotic {pi}{sub 1}(1600) meson with quantum numbers J{sup PC} = 1{sup -+} has been clearly established in the rho-pi decay channel with a mass of 1660{+-}10(stat) MeV/c{sup 2} and a width of 269{+-}21(stat) MeV/c{sup 2}. The improved detector performance in 2008 allows us to study this channel with significantly higher statistics. First results of the ongoing analysis of the 2008 data taking period, using a 190 GeV/c pion beam on a liquid hydrogen target are presented in this paper.

  17. Precision measurement of the X(3872) mass in J/psi pi(+) pi(-) decays.

    PubMed

    Aaltonen, T; Adelman, J; Akimoto, T; Alvarez González, B; Amerio, S; Amidei, D; Anastassov, A; Annovi, A; Antos, J; Apollinari, G; Apresyan, A; Arisawa, T; Artikov, A; Ashmanskas, W; Attal, A; Aurisano, A; Azfar, F; Badgett, W; Barbaro-Galtieri, A; Barnes, V E; Barnett, B A; Barria, P; Bartos, P; Bartsch, V; Bauer, G; Beauchemin, P-H; Bedeschi, F; Beecher, D; Behari, S; Bellettini, G; Bellinger, J; Benjamin, D; Beretvas, A; Beringer, J; Bhatti, A; Binkley, M; Bisello, D; Bizjak, I; Blair, R E; Blocker, C; Blumenfeld, B; Bocci, A; Bodek, A; Boisvert, V; Bolla, G; Bortoletto, D; Boudreau, J; Boveia, A; Brau, B; Bridgeman, A; Brigliadori, L; Bromberg, C; Brubaker, E; Budagov, J; Budd, H S; Budd, S; Burke, S; Burkett, K; Busetto, G; Bussey, P; Buzatu, A; Byrum, K L; Cabrera, S; Calancha, C; Campanelli, M; Campbell, M; Canelli, F; Canepa, A; Carls, B; Carlsmith, D; Carosi, R; Carrillo, S; Carron, S; Casal, B; Casarsa, M; Castro, A; Catastini, P; Cauz, D; Cavaliere, V; Cavalli-Sforza, M; Cerri, A; Cerrito, L; Chang, S H; Chen, Y C; Chertok, M; Chiarelli, G; Chlachidze, G; Chlebana, F; Cho, K; Chokheli, D; Chou, J P; Choudalakis, G; Chuang, S H; Chung, K; Chung, W H; Chung, Y S; Chwalek, T; Ciobanu, C I; Ciocci, M A; Clark, A; Clark, D; Compostella, G; Convery, M E; Conway, J; Cordelli, M; Cortiana, G; Cox, C A; Cox, D J; Crescioli, F; Cuenca Almenar, C; Cuevas, J; Culbertson, R; Cully, J C; Dagenhart, D; Datta, M; Davies, T; de Barbaro, P; De Cecco, S; Deisher, A; De Lorenzo, G; Dell'Orso, M; Deluca, C; Demortier, L; Deng, J; Deninno, M; Derwent, P F; Di Canto, A; di Giovanni, G P; Dionisi, C; Di Ruzza, B; Dittmann, J R; D'Onofrio, M; Donati, S; Dong, P; Donini, J; Dorigo, T; Dube, S; Efron, J; Elagin, A; Erbacher, R; Errede, D; Errede, S; Eusebi, R; Fang, H C; Farrington, S; Fedorko, W T; Feild, R G; Feindt, M; Fernandez, J P; Ferrazza, C; Field, R; Flanagan, G; Forrest, R; Frank, M J; Franklin, M; Freeman, J C; Furic, I; Gallinaro, M; Galyardt, J; Garberson, F; Garcia, J E; Garfinkel, A F; Garosi, P; Genser, K; Gerberich, H; Gerdes, D; Gessler, A; Giagu, S; Giakoumopoulou, V; Giannetti, P; Gibson, K; Gimmell, J L; Ginsburg, C M; Giokaris, N; Giordani, M; Giromini, P; Giunta, M; Giurgiu, G; Glagolev, V; Glenzinski, D; Gold, M; Goldschmidt, N; Golossanov, A; Gomez, G; Gomez-Ceballos, G; Goncharov, M; González, O; Gorelov, I; Goshaw, A T; Goulianos, K; Gresele, A; Grinstein, S; Grosso-Pilcher, C; Group, R C; Grundler, U; Guimaraes da Costa, J; Gunay-Unalan, Z; Haber, C; Hahn, K; Hahn, S R; Halkiadakis, E; Han, B-Y; Han, J Y; Happacher, F; Hara, K; Hare, D; Hare, M; Harper, S; Harr, R F; Harris, R M; Hartz, M; Hatakeyama, K; Hays, C; Heck, M; Heijboer, A; Heinrich, J; Henderson, C; Herndon, M; Heuser, J; Hewamanage, S; Hidas, D; Hill, C S; Hirschbuehl, D; Hocker, A; Hou, S; Houlden, M; Hsu, S-C; Huffman, B T; Hughes, R E; Husemann, U; Hussein, M; Huston, J; Incandela, J; Introzzi, G; Iori, M; Ivanov, A; James, E; Jang, D; Jayatilaka, B; Jeon, E J; Jha, M K; Jindariani, S; Johnson, W; Jones, M; Joo, K K; Jun, S Y; Jung, J E; Junk, T R; Kamon, T; Kar, D; Karchin, P E; Kato, Y; Kephart, R; Ketchum, W; Keung, J; Khotilovich, V; Kilminster, B; Kim, D H; Kim, H S; Kim, H W; Kim, J E; Kim, M J; Kim, S B; Kim, S H; Kim, Y K; Kimura, N; Kirsch, L; Klimenko, S; Knuteson, B; Ko, B R; Kondo, K; Kong, D J; Konigsberg, J; Korytov, A; Kotwal, A V; Kreps, M; Kroll, J; Krop, D; Krumnack, N; Kruse, M; Krutelyov, V; Kubo, T; Kuhr, T; Kulkarni, N P; Kurata, M; Kwang, S; Laasanen, A T; Lami, S; Lammel, S; Lancaster, M; Lander, R L; Lannon, K; Lath, A; Latino, G; Lazzizzera, I; LeCompte, T; Lee, E; Lee, H S; Lee, S W; Leone, S; Lewis, J D; Lin, C-S; Linacre, J; Lindgren, M; Lipeles, E; Lister, A; Litvintsev, D O; Liu, C; Liu, T; Lockyer, N S; Loginov, A; Loreti, M; Lovas, L; Lucchesi, D; Luci, C; Lueck, J; Lujan, P; Lukens, P; Lungu, G; Lyons, L; Lys, J; Lysak, R; MacQueen, D; Madrak, R; Maeshima, K; Makhoul, K; Maki, T; Maksimovic, P; Malde, S; Malik, S; Manca, G; Manousakis-Katsikakis, A; Margaroli, F; Marino, C; Marino, C P; Martin, A; Martin, V; Martínez, M; Martínez-Ballarín, R; Maruyama, T; Mastrandrea, P; Masubuchi, T; Mathis, M; Mattson, M E; Mazzanti, P; McFarland, K S; McIntyre, P; McNulty, R; Mehta, A; Mehtala, P; Menzione, A; Merkel, P; Mesropian, C; Miao, T; Miladinovic, N; Miller, R; Mills, C; Milnik, M; Mitra, A; Mitselmakher, G; Miyake, H; Moggi, N; Mondragon, M N; Moon, C S; Moore, R; Morello, M J; Morlock, J; Movilla Fernandez, P; Mülmenstädt, J; Mukherjee, A; Muller, Th; Mumford, R; Murat, P; Mussini, M; Nachtman, J; Nagai, Y; Nagano, A; Naganoma, J; Nakamura, K; Nakano, I; Napier, A; Necula, V; Nett, J; Neu, C; Neubauer, M S; Neubauer, S; Nielsen, J; Nodulman, L; Norman, M; Norniella, O; Nurse, E; Oakes, L; Oh, S H; Oh, Y D; Oksuzian, I; Okusawa, T; Orava, R; Osterberg, K; Pagan Griso, S; Pagliarone, C

    2009-10-01

    We present an analysis of the mass of the X(3872) reconstructed via its decay to J/psi pi(+)pi(-) using 2.4 fb(-1) of integrated luminosity from pp collisions at square root(s)=1.96 TeV, collected with the CDF II detector at the Fermilab Tevatron. The possible existence of two nearby mass states is investigated. Within the limits of our experimental resolution the data are consistent with a single state, and having no evidence for two states we set upper limits on the mass difference between two hypothetical states for different assumed ratios of contributions to the observed peak. For equal contributions, the 95% confidence level upper limit on the mass difference is 3.6 MeV/c(2). Under the single-state model the X(3872) mass is measured to be 3871.61+/-0.16(stat)+/-0.19(syst) MeV/c(2), which is the most precise determination to date. PMID:19905622

  18. pi-pi Functionalization of Graphene: Avenue for building Ultra-sensitive Graphene BioSensors

    NASA Astrophysics Data System (ADS)

    Jasuja, Kabeer; Linn, Joshua; Berry, Vikas

    2010-03-01

    The tremendous attention received by graphene has been attributed to its sp^2 hybridized carbon atoms arranged in a 2-D honeycomb lattice structure with a high density of π electrons confined within the quasi-planar, atomically-thick sheet. These structural and electronic attributes impart graphene with remarkable electrical, mechanical, and optical properties. Currently, covalent functionalization of graphene is carried out starting from graphene oxide (GO). This process deteriorates graphene's superior electrical properties by (i) opening up a band gap via removal of pi-electrons and (ii) increasing carrier scattering due to (a) the distorted structure produced by conversion of planar sp^2 to tetrahedral sp^3 carbons, (b) the charged impurities introduced and (c) the vacancy defects formed via removed carbon atoms. There is an immediate need for a functionalization mechanism, which retains the sp^2 carbons and the low scattering density on graphene's lattice structure. Here we present the electrical and interfacial characterization of graphene functionalized via pi-pi bonding mechanism that produces a minimal change in carrier density and scattering (10^4 fold reduced carrier scattering). We will present the functionalization and characterization of several biomolecular groups on graphene and show the bio-detection properties.

  19. Energy dependence of the {rho} resonance in {pi} {pi} elastic scattering from lattice QCD

    SciTech Connect

    Jozef Dudek, Robert Edwards, Christopher Thomas

    2013-02-01

    We determine the energy-dependent amplitude for elastic {pi} {pi} P-wave scattering in isospin-1 by computing part of the discrete energy spectrum of QCD in finite cubic boxes. We observe a rapidly rising phase shift that can be well described by a single {rho} Resonance. The spectrum is obtained from hadron correlators computed using lattice QCD with light quark masses corresponding to m{sub {pi}}~400 MeV. Variational analyses are performed with large bases of hadron interpolating fields including, as well as fermion bilinears that resemble q{anti q} Constructions, also operators that look like pairs of pions with definite relative and total momentum. We compute the spectrum for a range of center-of-mass momenta and in various irreducible representations of the relevant symmetry group. Hence we determine more than thirty values of the isospin-1 P-wave scattering phase shift in the elastic region, mapping out its energy dependence in unprecedented detail.

  20. Study of B0 --> J/psiK(*)0pi(+)pi(-) decays with the collider detector at Fermilab.

    PubMed

    Affolder, T; Akimoto, H; Akopian, A; Albrow, M G; Amaral, P; Amidei, D; Anikeev, K; Antos, J; Apollinari, G; Arisawa, T; Artikov, A; Asakawa, T; Ashmanskas, W; Azfar, F; Azzi-Bacchetta, P; Bacchetta, N; Bachacou, H; Bailey, S; de Barbaro, P; Barbaro-Galtieri, A; Barnes, V E; Barnett, B A; Baroiant, S; Barone, M; Bauer, G; Bedeschi, F; Belforte, S; Bell, W H; Bellettini, G; Bellinger, J; Benjamin, D; Bensinger, J; Beretvas, A; Berge, J P; Berryhill, J; Bhatti, A; Binkley, M; Bisello, D; Bishai, M; Blair, R E; Blocker, C; Bloom, K; Blumenfeld, B; Blusk, S R; Bocci, A; Bodek, A; Bokhari, W; Bolla, G; Bonushkin, Y; Bortoletto, D; Boudreau, J; Brandl, A; van den Brink, S; Bromberg, C; Brozovic, M; Brubaker, E; Bruner, N; Buckley-Geer, E; Budagov, J; Budd, H S; Burkett, K; Busetto, G; Byon-Wagner, A; Byrum, K L; Cabrera, S; Calafiura, P; Campbell, M; Carithers, W; Carlson, J; Carlsmith, D; Caskey, W; Castro, A; Cauz, D; Cerri, A; Chan, A W; Chang, P S; Chang, P T; Chapman, J; Chen, C; Chen, Y C; Cheng, M-T; Chertok, M; Chiarelli, G; Chirikov-Zorin, I; Chlachidze, G; Chlebana, F; Christofek, L; Chu, M L; Chung, Y S; Ciobanu, C I; Clark, A G; Colijn, A P; Connolly, A; Conway, J; Cordelli, M; Cranshaw, J; Cropp, R; Culbertson, R; Dagenhart, D; D'Auria, S; DeJongh, F; Dell'Agnello, S; Dell'Orso, M; Demortier, L; Deninno, M; Derwent, P F; Devlin, T; Dittmann, J R; Dominguez, A; Donati, S; Done, J; D'Onofrio, M; Dorigo, T; Eddy, N; Einsweiler, K; Elias, J E; Engels, E; Erbacher, R; Errede, D; Errede, S; Fan, Q; Fang, H-C; Feild, R G; Fernandez, J P; Ferretti, C; Field, R D; Fiori, I; Flaugher, B; Foster, G W; Franklin, M; Freeman, J; Friedman, J; Fukui, Y; Furic, I; Galeotti, S; Gallas, A; Gallinaro, M; Gao, T; Garcia-Sciveres, M; Garfinkel, A F; Gatti, P; Gay, C; Gerdes, D W; Giannetti, P; Giromini, P; Glagolev, V; Glenzinski, D; Gold, M; Goldstein, J; Gorelov, I; Goshaw, A T; Gotra, Y; Goulianos, K; Green, C; Grim, G; Gris, P; Groer, L; Grosso-Pilcher, C; Guenther, M; Guillian, G; Guimaraes da Costa, J; Haas, R M; Haber, C; Hahn, S R; Hall, C; Handa, T; Handler, R; Hao, W; Happacher, F; Hara, K; Hardman, A D; Harris, R M; Hartmann, F; Hatakeyama, K; Hauser, J; Heinrich, J; Heiss, A; Herndon, M; Hill, C; Hoffman, K D; Holck, C; Hollebeek, R; Holloway, L; Huffman, B T; Hughes, R; Huston, J; Huth, J; Ikeda, H; Incandela, J; Introzzi, G; Iwai, J; Iwata, Y; James, E; Jones, M; Joshi, U; Kambara, H; Kamon, T; Kaneko, T; Karr, K; Kasha, H; Kato, Y; Keaffaber, T A; Kelley, K; Kelly, M; Kennedy, R D; Kephart, R; Khazins, D; Kikuchi, T; Kilminster, B; Kim, B J; Kim, D H; Kim, H S; Kim, M J; Kim, S B; Kim, S H; Kim, Y K; Kirby, M; Kirk, M; Kirsch, L; Klimenko, S; Koehn, P; Kondo, K; Konigsberg, J; Korn, A; Korytov, A; Kovacs, E; Kroll, J; Kruse, M; Kuhlmann, S E; Kurino, K; Kuwabara, T; Laasanen, A T; Lai, N; Lami, S; Lammel, S; Lancaster, J; Lancaster, M; Lander, R; Lath, A; Latino, G; LeCompte, T; Lee, A M; Lee, K; Leone, S; Lewis, J D; Lindgren, M; Liss, T M; Liu, J B; Liu, Y C; Litvintsev, D O; Lobban, O; Lockyer, N; Loken, J; Loreti, M; Lucchesi, D; Lukens, P; Lusin, S; Lyons, L; Lys, J; Madrak, R; Maeshima, K; Maksimovic, P; Malferrari, L; Mangano, M; Mariotti, M; Martignon, G; Martin, A; Matthews, J A J; Mayer, J; Mazzanti, P; McFarland, K S; McIntyre, P; McKigney, E; Menguzzato, M; Menzione, A; Merkel, P; Mesropian, C; Meyer, A; Miao, T; Miller, R; Miller, J S; Minato, H; Miscetti, S; Mishina, M; Mitselmakher, G; Moggi, N; Moore, E; Moore, R; Morita, Y; Moulik, T; Mulhearn, M; Mukherjee, A; Muller, T; Munar, A; Murat, P; Murgia, S; Nachtman, J; Nagaslaev, V; Nahn, S; Nakada, H; Nakano, I; Nelson, C; Nelson, T; Neu, C; Neuberger, D; Newman-Holmes, C; Ngan, C-Y P; Niu, H; Nodulman, L; Nomerotski, A; Oh, S H; Oh, Y D; Ohmoto, T; Ohsugi, T; Oishi, R; Okusawa, T; Olsen, J; Orejudos, W; Pagliarone, C; Palmonari, F; Paoletti, R; Papadimitriou, V; Partos, D; Patrick, J; Pauletta, G; Paulini, M; Paus, C; Pellett, D; Pescara, L; Phillips, T J; Piacentino, G; Pitts, K T; Pompos, A; Pondrom, L; Pope, G; Popovic, M; Prokoshin, F; Proudfoot, J; Ptohos, F; Pukhov, O; Punzi, G; Rakitine, A; Ratnikov, F; Reher, D; Reichold, A; Ribon, A; Riegler, W; Rimondi, F; Ristori, L; Riveline, M; Robertson, W J; Robinson, A; Rodrigo, T; Rolli, S; Rosenson, L; Roser, R; Rossin, R; Rott, C; Roy, A; Ruiz, A; Safonov, A; St Denis, R; Sakumoto, W K; Saltzberg, D; Sanchez, C; Sansoni, A; Santi, L; Sato, H; Savard, P; Schlabach, P; Schmidt, E E; Schmidt, M P; Schmitt, M; Scodellaro, L; Scott, A; Scribano, A; Segler, S; Seidel, S; Seiya, Y; Semenov, A; Semeria, F; Shah, T; Shapiro, M D; Shepard, P F; Shibayama, T; Shimojima, M; Shochet, M; Sidoti, A; Siegrist, J; Sill, A; Sinervo, P; Singh, P; Slaughter, A J; Sliwa, K; Smith, C; Snider, F D; Solodsky, A; Spalding, J; Speer, T; Sphicas, P; Spinella, F; Spiropulu, M; Spiegel, L; Steele, J; Stefanini, A; Strologas, J

    2002-02-18

    We report a study of the decays B0 --> J/psiK(*)0pi(+)pi(-), which involve the creation of a uu or dd quark pair in addition to a b -->c(cs) decay. The data sample consists of 110 pb(-1) of pp collisions at square root[s] = 1.8 TeV collected by the CDF detector at the Fermilab Tevatron collider during 1992-1995. We measure the branching fractions to be B(B0 --> J/psiK(*0)pi(+)pi(-)) = (6.6 +/- 1.9 +/- 1.1)x10(-4) and B(B0 --> J/psiK0pi(+)pi(-)) = (10.3 +/- 3.3 +/- 1.5)x10(-4). Evidence is seen for contributions from psi(2S)K(*)0, J/psiK0rho(0), J/psiK(*+)pi(-), and J/psiK1(1270). PMID:11863882

  1. Measurement of pi+pi? Photoproduction in Double Polarization Experiments using the CLAS Spectrometer

    SciTech Connect

    Charles Hanretty

    2007-10-01

    Spectroscopic predictions based on first principles are not possible in the non-perturbative regime of Quantum Chromodynamics (QCD) where the strong coupling constant is large. For this reason, effective theories and models have been developed to determine the masses, couplings, and decay widths of resonances. Various constituent quark models (CQMs) based on three quark degrees of freedom predict numerous baryon resonances that have not been experimentally verified and are thus “missing”. The persistent non-observation of these states would present a big problem as the models would have failed to describe physical reality. CQMs predict strong couplings of these unobserved or missing states to gammaN as well as to Neta, Neta[prime] or Deltapi(Delta-->ppi) making photoproduction experiments a promising method to find these missing resonances. Previous analyses of unpolarized data show the importance of polarization obervables because some resonances reveal themselves more clearly in the interference with more dominant amplitudes. In addition, the determination of resonant contributions based on unpolarized data is not unique and requires further constraints provided by single- and double-polarization observables in the Partial Wave Analysis (PWA). A linearly- and circularly-polarized photon beam will be incident on a frozen-spin butanol target in Jefferson Lab's Hall B CLAS detector located in Newport News, Va. This detector allows the target to be polarized both longitudinally as well as transversely giving rise to measurable polarization observables in pi+pi? photoproduction. This experiment (FROST) will shed some light on the problem of the missing baryon resonances serving to better understand the properties of these states.

  2. RPLsh: An Interactive Shell for Stack-based Numerical Computation

    NASA Astrophysics Data System (ADS)

    Rauch, Kevin P.

    RPL shell or RPLsh, is an interactive numerical shell designed to combine the convenience of a hand-held calculator with the computational power and advanced numerical functionality of a workstation. The user interface is modelled after stack-based scientific calculators such as those made by Hewlett-Packard RPL is the name of the Forth-like programming language used in the HP 48 series), but includes many features not found in hand-held devices, such as a multi-threaded kernel with job control, integrated extended precision arithmetic, a large library of special functions, and a dynamic, resizable window display. As a native C/C++ application, it is over 1000 times faster than HP 48 emulators (e.g. Emu48 ) in simple benchmarks; for extended precision numerical analysis, its performance can exceed that of Mathematica by similar amounts. Current development focuses on interactive user functionality, with comprehensive programming and debugging support to follow.

  3. Measurement of CP Asymmetries and Branching Fractions in B0 -> pi+ pi-, B0 -> K+ pi-, B0 -> pi0 pi0, B0 -> K0 pi0 and Isospin Analysis of B -> pi pi Decays

    SciTech Connect

    Aubert, Bernard; Bona, M.; Karyotakis, Y.; Lees, J.P.; Poireau, V.; Prencipe, E.; Prudent, X.; Tisserand, V.; Garra Tico, J.; Grauges, E.; Lopez, L.; Palano, Antimo; Pappagallo, M.; Eigen, G.; Stugu, Bjarne; Sun, L.; Abrams, G.S.; Battaglia, M.; Brown, D.N.; Cahn, Robert N.; Jacobsen, R.G.; /LBL, Berkeley /Birmingham U. /Ruhr U., Bochum /Bristol U. /British Columbia U. /Brunel U. /Novosibirsk, IYF /UC, Irvine /UCLA /UC, Riverside /UC, San Diego /UC, Santa Barbara /UC, Santa Cruz /Caltech /Cincinnati U. /Colorado U. /Colorado State U. /Dortmund U. /Dresden, Tech. U. /Ecole Polytechnique /Edinburgh U. /Ferrara U. /INFN, Ferrara /Frascati /Genoa U. /INFN, Genoa /Harvard U. /Heidelberg U. /Humboldt U., Berlin /Imperial Coll., London /Iowa U. /Iowa State U. /Johns Hopkins U. /Orsay, LAL /LLNL, Livermore /Liverpool U. /Queen Mary, U. of London /Royal Holloway, U. of London /Louisville U. /Mainz U., Inst. Kernphys. /Manchester U. /Maryland U. /Massachusetts U., Amherst /MIT /McGill U. /Consorzio Milano Ricerche /INFN, Milan /Mississippi U. /Montreal U. /Mt. Holyoke Coll. /Napoli Seconda U. /INFN, Naples /NIKHEF, Amsterdam /Notre Dame U. /Ohio State U. /Oregon U. /Padua U. /INFN, Padua /Paris U., VI-VII /Pennsylvania U. /Perugia U. /INFN, Perugia /INFN, Pisa /Princeton U. /Banca di Roma /Frascati /Rostock U. /Rutherford /DAPNIA, Saclay /South Carolina U. /SLAC /Stanford U., Phys. Dept. /SUNY, Albany /Tennessee U. /Texas U. /Texas U., Dallas /Turin U. /INFN, Turin /Trieste U. /INFN, Trieste /Valencia U., IFIC /Victoria U. /Warwick U. /Wisconsin U., Madison

    2008-08-01

    The authors present preliminary results of improved measurements of the CP-violating asymmetries and branching fractions in the decays B{sup 0} {yields} {pi}{sup +}{pi}{sup -}, B{sup 0} {yields} K{sup +}{pi}{sup -}, B{sup 0} {yields} {pi}{sup 0}{pi}{sup 0}, and B{sup 0} {yields} K{sup 0}{pi}{sup 0}. This update includes all data taken at the {Upsilon}(4S) resonance by the BABAR experiment at the asymmetric PEP-II B-meson factory at SLAC, corresponding to 467 {+-} 5 million B{bar B} pairs. They find S{sub {pi}{pi}} = -0.68 {+-} 0.10 {+-} 0.03, C{sub {pi}{pi}} = -0.25 {+-} 0.08 {+-} 0.02, {Alpha}{sub K{sub {pi}}} = -0.107 {+-} 0.016{sub -0.004},{sup +0.006}, C{sub {pi}{sup 0}{pi}{sup 0}} = -0.43 {+-} 0.26 {+-} 0.05, {Beta}(B{sup 0} {yields} {pi}{sup 0}{pi}{sup 0}) = (1.83 {+-} 0.21 {+-} 0.13) x 10{sup -6}, {Beta}(B{sup 0} {yields} K{sup 0}{pi}{sup 0}) = (10.1 {+-} 0.6 {+-} 0.4) x 10{sup -6}, where the first error is statistical and the second is systematic. They observe CP violation with a significance of 6.7{sigma} in B{sup 0} {yields} {pi}{sup -} and 6.1{sigma} in B{sup 0} {yields} K{sup +}{pi}{sup -}. Constraints on the Unitarity Triangle angle {alpha} are determined from the isospin relation between all B {yields} {pi}{pi} rates and asymmetries.

  4. Search for resonances decaying to etac pi pi- in two-photon interactions

    SciTech Connect

    Lees, J.P.; Poireau, V.; Tisserand, V.; Garra Tico, J.; Grauges, E.; Palano, A.; Eigen, G.; Stugu, B.; Brown, D.N.; Kerth, L.T.; Kolomensky, Yu.G.; Lynch, G.; Koch, H.; Schroeder, T.; Asgeirsson, D.J.; Hearty, C.; Mattison, T.S.; McKenna, J.A.; So, R.Y.; Khan, A.; Blinov, V.E.; /more authors..

    2012-06-18

    We report a study of the process {gamma}{gamma} {yields} X {yields} {eta}{sub c}{pi}{sup +}{pi}{sup -}, where X stands for one of the resonances {chi}{sub c2}(1P), {eta}{sub c}(2S), X(3872), X(3915), or {chi}{sub c2}(2P). The analysis is performed with a data sample of 473.9 fb{sup -1} collected with the BABAR detector at the PEP-II asymmetric-energy electron-positron collider. We do not observe a significant signal for any channel, and calculate 90% confidence-level upper limits on the products of branching fractions and two-photon widths {Lambda}{sub X{yields}{gamma}{gamma}} {Beta}(X {yields} {eta}{sub c}{pi}{sup +}{pi}{sup -}): 15.7 eV for {chi}{sub c2}(1P), 133 eV for {eta}{sub c}(2S), 11.1 eV for X(3872) (assuming it to be a spin-2 state), 16 eV for X(3915) (assuming it to be a spin-2 state), and 19 eV for {chi}{sub c2}(2P). We also report upper limits on the ratios of branching fractions {Beta}({eta}{sub c}(2S) {yields} {eta}{sub c}{pi}{sup +}{pi}{sup -})/{Beta}({eta}{sub c}(2S) {yields} K{sub S}{sup 0}K{sup +}{pi}{sup -}) < 10.0 and {Beta}({chi}{sub c2}(1P) {yields} {eta}{sub c}{pi}{sup +}{pi}{sup -})/{Beta}({chi}{sub c2}(1P) {yields} K{sub S}{sup 0}K{sup +}{pi}{sup -}) < 32.9 at the 90% confidence level.

  5. Modulating the Light Switch by [superscript 3]MLCT-[superscript 3]pi pi* State Interconversion

    SciTech Connect

    Spencer, Brigitte R.; Kraft, Brian J.; Hughes, Chris G.; Pink, Maren; Zaleski, Jeffrey M.

    2012-01-20

    The spectroscopic, electronic, and DNA-binding characteristics of two novel ruthenium complexes based on the dialkynyl ligands 2,3-bis(phenylethynyl)-1,4,8,9-tetraaza-triphenylene (bptt, 1) and 2,3-bis(4-tert-butyl-phenylethynyl)-1,4,8,9-tetraaza-triphenylene (tbptt, 2) have been investigated. Electronic structure calculations of bptt reveal that the frontier molecular orbitals are localized on the pyrazine-dialkynyl portion of the free ligand, a property that is reflected in a red shift of the lowest energy electronic transition (1: {lambda}{sub max} = 393 nm) upon substitution at the terminal phenyl groups (2: {lambda}{sub max} = 398 nm). Upon coordination to ruthenium, the low-energy ligand-centered transitions of 1 and 2 are retained, and metal-to-ligand charge transfer transitions (MLCT) centered at {lambda}{sub max} = 450 nm are observed for [Ru(phen){sub 2}bptt]{sup 2+}(3) and [Ru(phen){sub 2}tbptt]{sup 2+}(4). The photophysical characteristics of 3 and 4 in ethanol closely parallel those observed for [Ru(bpy){sub 3}]{sup 2+} and [Ru(phen){sub 3}]{sup 2+}, indicating that the MLCT excited state is primarily localized within the [Ru(phen){sub 3}]{sup 2+} manifold of 3 and 4, and is only sparingly affected by the extended conjugation of the bptt framework. In an aqueous environment, 3 and 4 possess notably small luminescence quantum yields (3: {phi}H{sub 2}O = 0.005, 4: {phi}H{sub 2}O = 0.011) and biexponential decay kinetics (3: {tau}{sub 1} = 40 ns, {tau}{sub 2} = 230 ns; 4: {tau}{sub 1} {approx} 26 ns, {tau}{sub 2} = 150 ns). Addition of CT-DNA to an aqueous solution of 3 causes a significant increase in the luminescence quantum yield ({phi}DNA = 0.045), while the quantum yield of 4 is relatively unaffected ({phi}DNA = 0.013). The differential behavior demonstrates that tert-butyl substitution on the terminal phenyl groups inhibits the ability of 4 to intercalate with DNA. Such changes in intrinsic luminescence demonstrate that 3 binds to DNA via intercalation (K{sub b} = 3.3 x 10{sup 4} M{sup -1}). The origin of this light switch behavior involves two competing {sup 3}MLCT states similar to that of the extensively studied light switch molecule [Ru(phen){sub 2}dppz]{sup 2+}. The solvent- and temperature-dependence of the luminescence of 3 reveal that the extended ligand aromaticity lowers the energy of the {sup 3}{pi}{pi}* excited state into competition with the emitting {sup 3}MLCT state. Interconversion between these two states plays a significant role in the observed photophysics and is responsible for the dual emission in aqueous environments.

  6. Study of the D0 ---> pi- pi+ pi- pi+ decay

    SciTech Connect

    Link, J.M.; Yager, P.M.; Anjos, J.C.; Bediaga, I.; Castromonte, C.; Machado, A.A.; Magnin, J.; Massafferri, A.; de Miranda, J.M.; Pepe, I.M.; Polycarpo, E.; /Rio de Janeiro, CBPF /CINVESTAV, IPN /Colorado U. /Fermilab /Frascati /Guanajuato U. /Illinois U., Urbana /Indiana U. /Korea U. /Kyungpook Natl. U. /INFN, Milan /Milan U.

    2007-01-01

    Using data from the FOCUS (E831) experiment at Fermilab, they present new measurements for the Cabbibo-suppressed decay mode D{sup 0} {yields} {pi}{sup -}{pi}{sup +}{pi}{sup -}{pi}{sup +}. They measure the branching ratio {Lambda}(D{sup 0} {yields} {pi}{sup +}{pi}{sup -}{pi}{sup +}{pi}{sup -})/{Lambda}(D{sup 0} {yields} K{sup -} {pi}{sup +}{pi}{sup -}{pi}{sup +}) = 0.0914 {+-} 0.0018 {+-} 0.0022. An amplitude analysis has been performed, a first for this channel, in order to determine the resonant substructure of this decay mode. The dominant component is the decay D{sup 0} {yields} a{sub 1}(1260){sup +}{pi}{sup -}, accounting for 60% of the decay rate. The second most dominant contribution comes from the decay D{sup 0} {yields} {rho}(770){sup 0}{rho}(770){sup 0}, with a fraction of 25%. They also study the a{sub 1}(1260) line shape and resonant substructure. Using the helicity formalism for the angular distribution of the decay D{sup 0} {yields} {rho}(770){sup 0}{rho}(770){sup 0}, they measure a longitudinal polarization of P{sub L} = (71 {+-} 4 {+-} 2)%.

  7. Search for D0-D0 mixing and branching-ratio measurement in the decay D0-->K+ pi- pi0.

    PubMed

    Aubert, B; Barate, R; Bona, M; Boutigny, D; Couderc, F; Karyotakis, Y; Lees, J P; Poireau, V; Tisserand, V; Zghiche, A; Grauges, E; Palano, A; Chen, J C; Qi, N D; Rong, G; Wang, P; Zhu, Y S; Eigen, G; Ofte, I; Stugu, B; Abrams, G S; Battaglia, M; Brown, D N; Button-Shafer, J; Cahn, R N; Charles, E; Gill, M S; Groysman, Y; Jacobsen, R G; Kadyk, J A; Kerth, L T; Kolomensky, Yu G; Kukartsev, G; Lynch, G; Mir, L M; Orimoto, T J; Pripstein, M; Roe, N A; Ronan, M T; Wenzel, W A; Del Amo Sanchez, P; Barrett, M; Ford, K E; Harrison, T J; Hart, A J; Hawkes, C M; Morgan, S E; Watson, A T; Held, T; Koch, H; Lewandowski, B; Pelizaeus, M; Peters, K; Schroeder, T; Steinke, M; Boyd, J T; Burke, J P; Cottingham, W N; Walker, D; Cuhadar-Donszelmann, T; Fulsom, B G; Hearty, C; Knecht, N S; Mattison, T S; McKenna, J A; Khan, A; Kyberd, P; Saleem, M; Sherwood, D J; Teodorescu, L; Blinov, V E; Bukin, A D; Druzhinin, V P; Golubev, V B; Onuchin, A P; Serednyakov, S I; Skovpen, Yu I; Solodov, E P; Todyshev, K Yu; Best, D S; Bondioli, M; Bruinsma, M; Chao, M; Curry, S; Eschrich, I; Kirkby, D; Lankford, A J; Lund, P; Mandelkern, M; Mommsen, R K; Roethel, W; Stoker, D P; Abachi, S; Buchanan, C; Foulkes, S D; Gary, J W; Long, O; Shen, B C; Wang, K; Zhang, L; Hadavand, H K; Hill, E J; Paar, H P; Rahatlou, S; Sharma, V; Berryhill, J W; Campagnari, C; Cunha, A; Dahmes, B; Hong, T M; Kovalskyi, D; Richman, J D; Beck, T W; Eisner, A M; Flacco, C J; Heusch, C A; Kroseberg, J; Lockman, W S; Nesom, G; Schalk, T; Schumm, B A; Seiden, A; Spradlin, P; Williams, D C; Wilson, M G; Albert, J; Chen, E; Dvoretskii, A; Fang, F; Hitlin, D G; Narsky, I; Piatenko, T; Porter, F C; Ryd, A; Samuel, A; Mancinelli, G; Meadows, B T; Mishra, K; Sokoloff, M D; Blanc, F; Bloom, P C; Chen, S; Ford, W T; Hirschauer, J F; Kreisel, A; Nagel, M; Nauenberg, U; Olivas, A; Ruddick, W O; Smith, J G; Ulmer, K A; Wagner, S R; Zhang, J; Chen, A; Eckhart, E A; Soffer, A; Toki, W H; Wilson, R J; Winklmeier, F; Zeng, Q; Altenburg, D D; Feltresi, E; Hauke, A; Jasper, H; Petzold, A; Spaan, B; Brandt, T; Klose, V; Lacker, H M; Mader, W F; Nogowski, R; Schubert, J; Schubert, K R; Schwierz, R; Sundermann, J E; Volk, A; Bernard, D; Bonneaud, G R; Grenier, P; Latour, E; Thiebaux, Ch; Verderi, M; Clark, P J; Gradl, W; Muheim, F; Playfer, S; Robertson, A I; Xie, Y; Andreotti, M; Bettoni, D; Bozzi, C; Calabrese, R; Cibinetto, G; Luppi, E; Negrini, M; Petrella, A; Piemontese, L; Prencipe, E; Anulli, F; Baldini-Ferroli, R; Calcaterra, A; de Sangro, R; Finocchiaro, G; Pacetti, S; Patteri, P; Peruzzi, I M; Piccolo, M; Rama, M; Zallo, A; Buzzo, A; Capra, R; Contri, R; Lo Vetere, M; Macri, M M; Monge, M R; Passaggio, S; Patrignani, C; Robutti, E; Santroni, A; Tosi, S; Brandenburg, G; Chaisanguanthum, K S; Morii, M; Wu, J; Dubitzky, R S; Marks, J; Schenk, S; Uwer, U; Bard, D J; Bhimji, W; Bowerman, D A; Dauncey, P D; Egede, U; Flack, R L; Nash, J A; Nikolich, M B; Panduro Vazquez, W; Behera, P K; Chai, X; Charles, M J; Mallik, U; Meyer, N T; Ziegler, V; Cochran, J; Crawley, H B; Dong, L; Eyges, V; Meyer, W T; Prell, S; Rosenberg, E I; Rubin, A E; Gritsan, A V; Denig, A G; Fritsch, M; Schott, G; Arnaud, N; Davier, M; Grosdidier, G; Höcker, A; Le Diberder, F; Lepeltier, V; Lutz, A M; Oyanguren, A; Pruvot, S; Rodier, S; Roudeau, P; Schune, M H; Stocchi, A; Wang, W F; Wormser, G; Cheng, C H; Lange, D J; Wright, D M; Chavez, C A; Forster, I J; Fry, J R; Gabathuler, E; Gamet, R; George, K A; Hutchcroft, D E; Payne, D J; Schofield, K C; Touramanis, C; Bevan, A J; Di Lodovico, F; Menges, W; Sacco, R; Cowan, G; Flaecher, H U; Hopkins, D A; Jackson, P S; McMahon, T R; Ricciardi, S; Salvatore, F; Wren, A C; Brown, D N; Davis, C L; Allison, J; Barlow, N R; Barlow, R J; Chia, Y M; Edgar, C L; Lafferty, G D; Naisbit, M T; Williams, J C; Yi, J I; Chen, C; Hulsbergen, W D; Jawahery, A; Lae, C K; Roberts, D A; Simi, G; Blaylock, G; Dallapiccola, C; Hertzbach, S S; Li, X; Moore, T B; Saremi, S; Staengle, H; Cowan, R; Sciolla, G; Sekula, S J; Spitznagel, M; Taylor, F; Yamamoto, R K; Kim, H; McLachlin, S E; Patel, P M; Robertson, S H; Lazzaro, A; Lombardo, V; Palombo, F; Bauer, J M; Cremaldi, L; Eschenburg, V; Godang, R; Kroeger, R; Sanders, D A; Summers, D J; Zhao, H W; Brunet, S; Côté, D; Simard, M; Taras, P; Viaud, F B; Nicholson, H; Cavallo, N; De Nardo, G; Fabozzi, F; Gatto, C; Lista, L; Monorchio, D; Paolucci, P; Piccolo, D; Sciacca, C; Baak, M; Raven, G; Snoek, H L; Jessop, C P; Losecco, J M; Allmendinger, T; Benelli, G; Gan, K K; Honscheid, K; Hufnagel, D; Jackson, P D; Kagan, H; Kass, R; Rahimi, A M; Ter-Antonyan, R; Wong, Q K; Blount, N L; Brau, J; Frey, R; Igonkina, O; Lu, M; Rahmat, R; Sinev, N B; Strom, D; Strube, J; Torrence, E; Gaz, A; Margoni, M; Morandin, M; Pompili, A; Posocco, M; Rotondo, M; Simonetto, F; Stroili, R; Voci, C; Benayoun, M; Chauveau, J; Briand, H; David, P; Del Buono, L; de la Vaissière, Ch; Hamon, O; Hartfiel, B L; John, M J J; Leruste, Ph; Malclès, J; Ocariz, J; Roos, L; Therin, G; Gladney, L; Panetta, J; Biasini, M; Covarelli, R; Angelini, C; Batignani, G; Bettarini, S; Bucci, F; Calderini, G; Carpinelli, M; Cenci, R; Forti, F; Giorgi, M A; Lusiani, A; Marchiori, G; Mazur, M A; Morganti, M; Neri, N; Paoloni, E; Rizzo, G; Walsh, J J; Haire, M; Judd, D; Wagoner, D E; Biesiada, J; Danielson, N; Elmer, P; Lau, Y P; Lu, C; Olsen, J; Smith, A J S; Telnov, A V; Bellini, F; Cavoto, G; D'Orazio, A; Del Re, D; Di Marco, E; Faccini, R; Ferrarotto, F; Ferroni, F; Gaspero, M; Li Gioi, L; Mazzoni, M A; Morganti, S; Piredda, G; Polci, F; Safai Tehrani, F; Voena, C; Ebert, M; Schröder, H; Waldi, R; Adye, T; De Groot, N; Franek, B; Olaiya, E O; Wilson, F F; Aleksan, R; Emery, S; Gaidot, A; Ganzhur, S F; Hamel de Monchenault, G; Kozanecki, W; Legendre, M; Vasseur, G; Yèche, Ch; Zito, M; Chen, X R; Liu, H; Park, W; Purohit, M V; Wilson, J R; Allen, M T; Aston, D; Bartoldus, R; Bechtle, P; Berger, N; Claus, R; Coleman, J P; Convery, M R; Cristinziani, M; Dingfelder, J C; Dorfan, J; Dubois-Felsmann, G P; Dujmic, D; Dunwoodie, W; Field, R C; Glanzman, T; Gowdy, S J; Graham, M T; Halyo, V; Hast, C; Hryn'ova, T; Innes, W R; Kelsey, M H; Kim, P; Leith, D W G S; Li, S; Luitz, S; Luth, V; Lynch, H L; Macfarlane, D B; Marsiske, H; Messner, R; Muller, D R; O'Grady, C P; Ozcan, V E; Perazzo, A; Perl, M; Pulliam, T; Ratcliff, B N; Roodman, A; Salnikov, A A; Schindler, R H; Schwiening, J; Snyder, A; Stelzer, J; Su, D; Sullivan, M K; Suzuki, K; Swain, S K; Thompson, J M; Va'vra, J; van Bakel, N; Weaver, M; Weinstein, A J R; Wisniewski, W J; Wittgen, M; Wright, D H; Yarritu, A K; Yi, K; Young, C C; Burchat, P R; Edwards, A J; Majewski, S A; Petersen, B A; Roat, C; Wilden, L; Ahmed, S; Alam, M S; Bula, R; Ernst, J A; Jain, V; Pan, B; Saeed, M A; Wappler, F R; Zain, S B; Bugg, W; Krishnamurthy, M; Spanier, S M; Eckmann, R; Ritchie, J L; Satpathy, A; Schilling, C J; Schwitters, R F; Izen, J M; Lou, X C; Ye, S; Bianchi, F; Gallo, F; Gamba, D; Bomben, M; Bosisio, L; Cartaro, C; Cossutti, F; Della Ricca, G; Dittongo, S; Lanceri, L; Vitale, L; Azzolini, V; Martinez-Vidal, F; Banerjee, Sw; Bhuyan, B; Brown, C M; Fortin, D; Hamano, K; Kowalewski, R; Nugent, I M; Roney, J M; Sobie, R J; Back, J J; Harrison, P F; Latham, T E; Mohanty, G B; Pappagallo, M; Band, H R; Chen, X; Cheng, B; Dasu, S; Datta, M; Flood, K T; Hollar, J J; Kutter, P E; Mellado, B; Mihalyi, A; Pan, Y; Pierini, M; Prepost, R; Wu, S L; Yu, Z; Neal, H

    2006-12-01

    We analyze 230.4 fb;{-1} of data collected with the BABAR detector at the PEP-II e;{+}e;{-} collider at SLAC to search for evidence of D0-D[over ];{0} mixing using regions of phase space in the decay D;{0}-->K;{+}pi;{-}pi;{0}. We measure the time-integrated mixing rate R_{M}=(0.023_{-0.014};{+0.018}(stat.)+/-0.004(syst.))%, and R_{M}<0.054% at the 95% confidence level, assuming CP invariance. The data are consistent with no mixing at the 4.5% confidence level. We also measure the branching ratio for D;{0}-->K;{+}pi;{-}pi;{0} relative to D;{0}-->K;{-}pi;{+}pi;{0} to be (0.214+/-0.008(stat.)+/-0.008(syst.))%. PMID:17155794

  8. Observation of a broad structure in the pi+ pi- J/psi mass spectrum around 4.26 GeV/c2.

    PubMed

    Aubert, B; Barate, R; Boutigny, D; Couderc, F; Karyotakis, Y; Lees, J P; Poireau, V; Tisserand, V; Zghiche, A; Grauges, E; Palano, A; Pappagallo, M; Pompili, A; Chen, J C; Qi, N D; Rong, G; Wang, P; Zhu, Y S; Eigen, G; Ofte, I; Stugu, B; Abrams, G S; Battaglia, M; Breon, A B; Brown, D N; Button-Shafer, J; Cahn, R N; Charles, E; Day, C T; Gill, M S; Gritsan, A V; Groysman, Y; Jacobsen, R G; Kadel, R W; Kadyk, J; Kerth, L T; Kolomensky, Yu G; Kukartsev, G; Lynch, G; Mir, L M; Oddone, P J; Orimoto, T J; Pripstein, M; Roe, N A; Ronan, M T; Wenzel, W A; Barrett, M; Ford, K E; Harrison, T J; Hart, A J; Hawkes, C M; Morgan, S E; Watson, A T; Fritsch, M; Goetzen, K; Held, T; Koch, H; Lewandowski, B; Pelizaeus, M; Peters, K; Schroeder, T; Steinke, M; Boyd, J T; Burke, J P; Chevalier, N; Cottingham, W N; Cuhadar-Donszelmann, T; Fulsom, B G; Hearty, C; Knecht, N S; Mattison, T S; McKenna, J A; Khan, A; Kyberd, P; Saleem, M; Teodorescu, L; Blinov, A E; Blinov, V E; Bukin, A D; Druzhinin, V P; Golubev, V B; Kravchenko, E A; Onuchin, A P; Serednyakov, S I; Skovpen, Yu I; Solodov, E P; Yushkov, A N; Best, D; Bondioli, M; Bruinsma, M; Chao, M; Curry, S; Eschrich, I; Kirkby, D; Lankford, A J; Lund, P; Mandelkern, M; Mommsen, R K; Roethel, W; Stoker, D P; Buchanan, C; Hartfiel, B L; Weinstein, A J R; Foulkes, S D; Gary, J W; Long, O; Shen, B C; Wang, K; Zhang, L; del Re, D; Hadavand, H K; Hill, E J; MacFarlane, D B; Paar, H P; Rahatlou, S; Sharma, V; Berryhill, J W; Campagnari, C; Cunha, A; Dahmes, B; Hong, T M; Mazur, M A; Richman, J D; Verkerke, W; Beck, T W; Eisner, A M; Flacco, C J; Heusch, C A; Kroseberg, J; Lockman, W S; Nesom, G; Schalk, T; Schumm, B A; Seiden, A; Spradlin, P; Williams, D C; Wilson, M G; Albert, J; Chen, E; Dubois-Felsmann, G P; Dvoretskii, A; Hitlin, D G; Narsky, I; Piatenko, T; Porter, F C; Ryd, A; Samuel, A; Andreassen, R; Jayatilleke, S; Mancinelli, G; Meadows, B T; Sokoloff, M D; Blanc, F; Bloom, P; Chen, S; Ford, W T; Hirschauer, J F; Kreisel, A; Nauenberg, U; Olivas, A; Rankin, P; Ruddick, W O; Smith, J G; Ulmer, K A; Wagner, S R; Zhang, J; Chen, A; Eckhart, E A; Soffer, A; Toki, W H; Wilson, R J; Zeng, Q; Altenburg, D; Feltresi, E; Hauke, A; Spaan, B; Brandt, T; Brose, J; Dickopp, M; Klose, V; Lacker, H M; Nogowski, R; Otto, S; Petzold, A; Schott, G; Schubert, J; Schubert, K R; Schwierz, R; Sundermann, J E; Bernard, D; Bonneaud, G R; Grenier, P; Schrenk, S; Thiebaux, Ch; Vasileiadis, G; Verderi, M; Bard, D J; Clark, P J; Gradl, W; Muheim, F; Playfer, S; Xie, Y; Andreotti, M; Azzolini, V; Bettoni, D; Bozzi, C; Calabrese, R; Cibinetto, G; Luppi, E; Negrini, M; Piemontese, L; Anulli, F; Baldini-Ferroli, R; Calcaterra, A; de Sangro, R; Finocchiaro, G; Patteri, P; Peruzzi, I M; Piccolo, M; Zallo, A; Buzzo, A; Capra, R; Contri, R; Lo Vetere, M; Macri, M; Monge, M R; Passaggio, S; Patrignani, C; Robutti, E; Santroni, A; Tosi, S; Brandenburg, G; Chaisanguanthum, K S; Morii, M; Won, E; Wu, J; Dubitzky, R S; Langenegger, U; Marks, J; Schenk, S; Uwer, U; Bhimji, W; Bowerman, D A; Dauncey, P D; Egede, U; Flack, R L; Gaillard, J R; Morton, G W; Nash, J A; Nikolich, M B; Taylor, G P; Vazquez, W P; Charles, M J; Mader, W F; Mallik, U; Mohapatra, A K; Cochran, J; Crawley, H B; Eyges, V; Meyer, W T; Prell, S; Rosenberg, E I; Rubin, A E; Yi, J; Arnaud, N; Davier, M; Giroux, X; Grosdidier, G; Höcker, A; Le Diberder, F; Lepeltier, V; Lutz, A M; Oyanguren, A; Petersen, T C; Pierini, M; Plaszczynski, S; Rodier, S; Roudeau, P; Schune, M H; Stocchi, A; Wormser, G; Cheng, C H; Lange, D J; Simani, M C; Wright, D M; Bevan, A J; Chavez, C A; Forster, I J; Fry, J R; Gabathuler, E; Gamet, R; George, K A; Hutchcroft, D E; Parry, R J; Payne, D J; Schofield, K C; Touramanis, C; Cormack, C M; Di Lodovico, F; Menges, W; Sacco, R; Brown, C L; Cowan, G; Flaecher, H U; Green, M G; Hopkins, D A; Jackson, P S; McMahon, T R; Ricciardi, S; Salvatore, F; Brown, D; Davis, C L; Allison, J; Barlow, N R; Barlow, R J; Edgar, C L; Hodgkinson, M C; Kelly, M P; Lafferty, G D; Naisbit, M T; Williams, J C; Chen, C; Hulsbergen, W D; Jawahery, A; Kovalskyi, D; Lae, C K; Roberts, D A; Simi, G; Blaylock, G; Dallapiccola, C; Hertzbach, S S; Kofler, R; Koptchev, V B; Li, X; Moore, T B; Saremi, S; Staengle, H; Willocq, S; Cowan, R; Koeneke, K; Sciolla, G; Sekula, S J; Spitznagel, M; Taylor, F; Yamamoto, R K; Kim, H; Patel, P M; Robertson, S H; Lazzaro, A; Lombardo, V; Palombo, F; Bauer, J M; Cremaldi, L; Eschenburg, V; Godang, R; Kroeger, R; Reidy, J; Sanders, D A; Summers, D J; Zhao, H W; Brunet, S; Côté, D; Taras, P; Viaud, B; Nicholson, H; Cavallo, N; De Nardo, G; Fabozzi, F; Gatto, C; Lista, L; Monorchio, D; Paolucci, P; Piccolo, D; Sciacca, C; Baak, M; Bulten, H; Raven, G; Snoek, H L; Wilden, L; Jessop, C P; LoSecco, J M; Allmendinger, T; Benelli, G; Gan, K K; Honscheid, K; Hufnagel, D; Jackson, P D; Kagan, H; Kass, R; Pulliam, T; Rahimi, A M; Ter-Antonyan, R; Wong, Q K; Brau, J; Frey, R; Igonkina, O; Lu, M; Potter, C T; Sinev, N B; Strom, D; Strube, J; Torrence, E; Galeazzi, F; Margoni, M; Morandin, M; Posocco, M; Rotondo, M; Simonetto, F; Stroili, R; Voci, C; Benayoun, M; Briand, H; Chauveau, J; David, P; Del Buono, L; de la Vaissière, Ch; Hamon, O; John, M J J; Leruste, Ph; Malclès, J; Ocariz, J; Roos, L; Therin, G; Behera, P K; Gladney, L; Guo, Q H; Panetta, J; Biasini, M; Covarelli, R; Pacetti, S; Pioppi, M; Angelini, C; Batignani, G; Bettarini, S; Bucci, F; Calderini, G; Carpinelli, M; Cenci, R; Forti, F; Giorgi, M A; Lusiani, A; Marchiori, G; Morganti, M; Neri, N; Paoloni, E; Rama, M; Rizzo, G; Walsh, J; Haire, M; Judd, D; Wagoner, D E; Biesiada, J; Danielson, N; Elmer, P; Lau, Y P; Lu, C; Olsen, J; Smith, A J S; Telnov, A V; Bellini, F; Cavoto, G; D'Orazio, A; Di Marco, E; Faccini, R; Ferrarotto, F; Ferroni, F; Gaspero, M; Li Gioi, L; Mazzoni, M A; Morganti, S; Piredda, G; Polci, F; Safai Tehrani, F; Voena, C; Schröder, H; Wagner, G; Waldi, R; Adye, T; De Groot, N; Franek, B; Gopal, G P; Olaiya, E O; Wilson, F F; Aleksan, R; Emery, S; Gaidot, A; Ganzhur, S F; Giraud, P-F; Graziani, G; Hamel de Monchenault, G; Kozanecki, W; Legendre, M; London, G W; Mayer, B; Vasseur, G; Yèche, Ch; Zito, M; Purohit, M V; Weidemann, A W; Wilson, J R; Yumiceva, F X; Abe, T; Allen, M T; Aston, D; van Bakel, N; Bartoldus, R; Berger, N; Boyarski, A M; Buchmueller, O L; Claus, R; Coleman, J P; Convery, M R; Cristinziani, M; Dingfelder, J C; Dong, D; Dorfan, J; Dujmic, D; Dunwoodie, W; Fan, S; Field, R C; Glanzman, T; Gowdy, S J; Hadig, T; Halyo, V; Hast, C; Hryn'ova, T; Innes, W R; Kelsey, M H; Kim, P; Kocian, M L; Leith, D W G S; Libby, J; Luitz, S; Luth, V; Lynch, H L; Marsiske, H; Messner, R; Muller, D R; O'Grady, C P; Ozcan, V E; Perazzo, A; Perl, M; Ratcliff, B N; Roodman, A; Salnikov, A A; Schindler, R H; Schwiening, J; Snyder, A; Stelzer, J; Su, D; Sullivan, M K; Suzuki, K; Swain, S; Thompson, J M; Va'vra, J; Weaver, M; Wisniewski, W J; Wittgen, M; Wright, D H; Yarritu, A K; Yi, K; Young, C C; Burchat, P R; Edwards, A J; Majewski, S A; Petersen, B A; Roat, C; Ahmed, M; Ahmed, S; Alam, M S; Ernst, J A; Saeed, M A; Wappler, F R; Zain, S B; Bugg, W; Krishnamurthy, M; Spanier, S M; Eckmann, R; Ritchie, J L; Satpathy, A; Schwitters, R F; Izen, J M; Kitayama, I; Lou, X C; Williams, G; Ye, S; Bianchi, F; Bona, M; Gallo, F; Gamba, D; Bomben, M; Bosisio, L; Cartaro, C; Cossutti, F; Della Ricca, G; Dittongo, S; Grancagnolo, S; Lanceri, L; Vitale, L; Martinez-Vidal, F; Panvini, R S; Banerjee, Sw; Bhuyan, B; Brown, C M; Fortin, D; Hamano, K; Kowalewski, R; Roney, J M; Sobie, R J; Back, J J; Harrison, P F; Latham, T E; Mohanty, G B; Band, H R; Chen, X; Cheng, B; Dasu, S; Datta, M; Eichenbaum, A M; Flood, K T; Graham, M; Hollar, J J; Johnson, J R; Kutter, P E; Li, H; Liu, R; Mellado, B; Mihalyi, A; Pan, Y; Prepost, R; Tan, P; von Wimmersperg-Toeller, J H; Wu, S L; Yu, Z; Neal, H

    2005-09-30

    We study initial-state radiation events, e+ e- --> gammaISR pi+ pi- J/psi, with data collected with the BABAR detector. We observe an accumulation of events near 4.26 GeV/c2 in the invariant-mass spectrum of pi+ pi- J/psi. Fits to the mass spectrum indicate that a broad resonance with a mass of about 4.26 GeV/c2 is required to describe the observed structure. The presence of additional narrow resonances cannot be excluded. The fitted width of the broad resonance is 50 to 90 MeV/c2, depending on the fit hypothesis. PMID:16241645

  9. Looking for {delta}I=5/2 amplitude components in B{yields}{pi}{pi} and B{yields}{rho}{rho} experiments

    SciTech Connect

    Botella, F.J.; London, David; Silva, Joao P.

    2006-04-01

    We discuss how experiments measuring B{yields}{pi}{pi} and B{yields}{rho}{rho} may be used to search for a {delta}I=5/2 amplitude component. This component could be the explanation for a recent (albeit very tentative) hint from B(B){yields}{rho}{rho} decays that the isospin triangles do not close.

  10. Theoretical investigation of the stacking interactions between curved conjugated systems and their interaction with fullerenes

    NASA Astrophysics Data System (ADS)

    Denis, Pablo A.

    2011-11-01

    Herein, we perform a M06-2X/6-311G investigation of the homo and mixed dimers formed between corannulene, sumanene, and pentaindenocorannulene; also, their complexes with C 60 and C 70 were studied. Despite the lower area of sumanene, the interaction of the sumanene-dimer is stronger that of the corannulene-dimer because of CH-? interactions. For mixed-dimers, when the concave and convex sides perfectly match the interactions are similar to those of the homodimers. However, when the concave area is larger than the convex one, CH-? interactions become important and perfect stacking is lost. The interaction between pentaindenocorannulene-C 60 is twice that of corannulene-C 60, and ? G298 = -10.8 kcal/mol. Thus, pentaindenocorannulene is a better choice to catch C 60.

  11. Effect of Z Prime -mediated flavor-changing neutral current on B {yields} {pi}{pi} decays

    SciTech Connect

    Sahoo, S.; Das, C. K.; Maharana, L.

    2011-07-15

    We study the effect of Z Prime -mediated flavor-changing neutral current on the B {yields} {pi}{pi} decays. The branching ratios of these decays can be enhanced remarkably in the nonuniversal Z Prime model. Our estimated branching ratios B(B{sup 0} {yields} {pi}{sup 0}{pi}{sup 0}) are enhanced significantly from their standard model (SM) value. For g Prime /g = 1, the branching ratios B(B{sup 0} {yields} {pi}{sup 0}{pi}{sup 0}) are very close to the recently observed experimental values and for higher values of g Prime /g branching ratios are more. Our calculated branching ratios B(B{sup 0} {yields} {pi}{sup +}{pi}{sup -}) and B(B{sup +} {yields} {pi}{sup +}{pi}{sup 0}) are also enhanced from the SM value as well as the recently observed experimental values. These enhancements of branching ratios from their SM value give the possibility of new physics.

  12. Measurement of the E+ E- to Pi+ Pi- (Gamma) Cross Section with the ISR Method with BaBar

    SciTech Connect

    Davier, Michel; /Orsay, LAL

    2011-11-30

    A precision measurement of the cross section for the process e{sup +}e{sup -} {yields} {pi}{sup +}{pi}{sup -}({gamma}) is presented with the radiative return method with the high statistics data accumulated by BaBar at the {Upsilon}(4S). The luminosity is determined from the study of the corresponding leptonic process e{sup +}e{sup -} {yields} {mu}{sup +}{mu}{sup -}({gamma}), thus cancelling several factors and reducing the overall systematic uncertainty. Trigger, tracking, particle identification, and kinematic-fit {chi}{sup 2} efficiencies are evaluated from data in the same environment. Additional radiation from the initial and the final states is studied in both processes. The analysis covers the mass range between threshold and 5 GeV. Preliminary results are presented here between 0.5 and 3 GeV, with data samples of 513183 pion events and 445631 muon events. The systematic uncertainty in the main {rho} resonance region is 5.6 x 10{sup -3}. The measured mass dependent pion-pair cross section is compared with measurements from earlier experiments and used to compute the hadronic vacuum polarization contribution from the dominant {pi}{pi} channel to the muon magnetic anomaly.

  13. Molecular aggregation in soluble phthalocyanines - Chemical interactions vs. ?-stacking

    NASA Astrophysics Data System (ADS)

    Palewska, Krystyna; Sworakowski, Juliusz; Lipi?ski, Józef

    2012-08-01

    Aggregation of soluble sulfonated phthalocyanines (Pcs) containing di- and trivalent central atoms in binary water-alcohol solvents has been studied. The equilibrium constants of dimerization in solutions of Pcs with divalent central atoms (Zn, Cu) were found dependent on the electrical permittivity of the solvent and on the degree of sulfonation (i.e., on the charge on the phthalocyanine anions). Our results show that in Pcs with the trivalent central atom (Al(OH)) the dimerization occurs preferentially by formation of oxygen bridges or hydrogen bonds. Disulfonated aluminum phthalocyanine anions dissolved in water-rich binary solvents seem to form both ?-stacked dimers and chemical dimers, due to a decrease in the Coulombic repulsive energy. The experiments reported in the paper indicate that the aggregation of soluble phthalocyanines can be controlled by the choice of a suitable electric permittivity of the solvent.

  14. Aromatic-aromatic interaction of amitriptyline: implication of overdosed drug detoxification.

    PubMed

    Lee, Dong-Won; Flint, Jason; Morey, Timothy; Dennis, Donn; Partch, Richard; Baney, Ronald

    2005-02-01

    The objectives of this work are to explore the pi-pi complexation of amitriptyline with pi electron-deficient aromatic rings and demonstrate the feasibility of pi-pi complexation for overdosed drug detoxification. Water-soluble oligochitosan was chemically modified with dinitrobenzenesulfonyl groups to induce selective binding toward amitriptyline through pi-pi complexation. NMR studies showed that benzenesulfonyl and dinitrobenzenesulfonyl protons were upfield shifted by the addition of amitriptyline, indicating the formation of pi-pi complexes. The pi-pi complexation of amitriptyline is driven primarily by a desolvation driving force, whereas the magnitude of interaction is dictated by the complementrary electrostatic interaction. Isolated rat heart tests revealed that dinitrobenzenesulfonyl oligochitosan prevented the amitriptyline-induced cardiotoxicity and was itself not cardiotoxic. PMID:15614810

  15. Scalar mesons in the decays {eta}' {sup {yields}}3{pi}{sup 0} and {eta}' {sup {yields} {pi}0{pi}+{pi}-}

    SciTech Connect

    Likhoded, A. K. Luchinsky, A. V. Samoylenko, V. D.

    2010-10-15

    The decays {eta} {sup {yields}}3{pi}{sup 0} and {eta} {sup {yields} {pi}0{pi}+{pi}-} are considered within the isobar model. It is shown that, in order to explain the branching ratio and the shape of the Dalitz plot for the decay {eta}' {sup {yields}}3{pi}{sup 0}, it is sufficient to take into account the contributions of the {sigma} and a{sub 0} mesons. The inclusion of the {sigma} meson is necessary for reproducing the shape of the distribution over the Dalitz plot. The branching ratio for the decay {eta}' {sup {yields} {pi}0{pi}+{pi}-} is obtained. The predictions for the distributions over the Dalitz plot for this decay are presented. These predictions depend strongly on model parameters.

  16. Nuclear structure of {sup 10}B studied with (e,e{prime}), ({pi},{pi}{prime}) and ({gamma},{pi}) reactions

    SciTech Connect

    Sato, T.; Odagawa, N.; Ohtsubo, H.; Lee, T.S.H.

    1994-05-01

    The authors studied nuclear structure of {sup 10}B using (e,e{prime}),({pi},{pi}{prime}) and ({gamma},{pi}) reactions under the distorted wave impulse approximation (DWIA). For this purpose the off-shell dependence of the amplitude was taken into account in the momentum space DWIA. They used the off-shell elementary amplitude of ({pi},{pi}) and ({gamma},{pi}) by the model of Nozawa, Blankleider and Lee. The first order core polarization effects were incorporated with the p-shell wave functions of Cohen and Kurath and Hauge and Maripuu. It was shown that the core-polarization effects greatly improve the agreement with the experimental data and that the simultaneous study of these reactions is useful to probe the spin structure of p-shell nuclei.

  17. Model independent bound on the unitarity triangle from CP violation in B-->pi(+)pi(-) and B-->psiK(S).

    PubMed

    Buchalla, Gerhard; Safir, A Salim

    2004-07-01

    We derive model-independent lower bounds on the CKM parameters (1-rho) and eta as functions of the mixing-induced CP asymmetry S in B-->pi(+)pi(-) and sin(2 beta from B-->psiK(S). The bounds do not depend on specific results of theoretical calculations for the penguin contribution to B-->pi(+)pi(-). They require only the very conservative condition that a hadronic phase, which vanishes in the heavy-quark limit, does not exceed 90 degrees in magnitude. The bounds are effective if -sin(2 beta

  18. Improved evidence for direct CP violation in B0-->pi+pi- decays and model-independent constraints on phi2.

    PubMed

    Abe, K; Adachi, I; Aihara, H; Arinstein, K; Asano, Y; Aushev, T; Bakich, A M; Ban, Y; Barberio, E; Barbero, M; Bay, A; Bitenc, U; Bizjak, I; Blyth, S; Bondar, A; Bozek, A; Bracko, M; Brodzicka, J; Browder, T E; Chang, P; Chao, Y; Chen, A; Chen, K-F; Chen, W T; Cheon, B G; Chistov, R; Choi, S-K; Choi, Y; Choi, Y K; Chuvikov, A; Cole, S; Dalseno, J; Dash, M; Dong, L Y; Drutskoy, A; Eidelman, S; Enari, Y; Fang, F; Fratina, S; Gabyshev, N; Garmash, A; Gershon, T; Gokhroo, G; Golob, B; Gorisek, A; Haba, J; Hara, K; Hara, T; Hastings, N C; Hayashii, H; Hazumi, M; Hinz, L; Hokuue, T; Hoshi, Y; Hou, S; Hou, W-S; Hsiung, Y B; Iijima, T; Imoto, A; Inami, K; Ishikawa, A; Ishino, H; Itoh, R; Iwasaki, M; Iwasaki, Y; Kakuno, H; Kang, J H; Kang, J S; Kapusta, P; Katayama, N; Kawai, H; Kawasaki, T; Khan, H R; Kibayashi, A; Kichimi, H; Kim, S M; Kinoshita, K; Korpar, S; Krizan, P; Krokovny, P; Kumar, S; Kuo, C C; Kusaka, A; Kuzmin, A; Kwon, Y-J; Leder, G; Lee, S E; Lesiak, T; Li, J; Lin, S-W; MacNaughton, J; Majumder, G; Mandl, F; Marlow, D; Matyja, A; Mikami, Y; Mitaroff, W; Miyabayashi, K; Miyake, H; Miyata, H; Mizuk, R; Mohapatra, D; Murakami, A; Nagamine, T; Nagasaka, Y; Nakamura, I; Nakano, E; Nakao, M; Nakazawa, H; Natkaniec, Z; Nishida, S; Nitoh, O; Noguchi, S; Nozaki, T; Ogawa, S; Ohshima, T; Okabe, T; Okuno, S; Olsen, S L; Onuki, Y; Ostrowicz, W; Ozaki, H; Pakhlov, P; Palka, H; Park, H; Parslow, N; Peak, L S; Pestotnik, R; Piilonen, L E; Ronga, F J; Rozanska, M; Sagawa, H; Sakai, Y; Sato, N; Schietinger, T; Schneider, O; Schönmeier, P; Schümann, J; Schwartz, A J; Senyo, K; Sevior, M E; Shibuya, H; Shwartz, B; Sidorov, V; Singh, J B; Somov, A; Soni, N; Stamen, R; Stanic, S; Staric, M; Sumisawa, K; Sumiyoshi, T; Suzuki, S; Suzuki, S Y; Tajima, O; Takasaki, F; Tamai, K; Tamura, N; Tanaka, M; Teramoto, Y; Tian, X C; Trabelsi, K; Tsuboyama, T; Tsukamoto, T; Uehara, S; Uglov, T; Ueno, K; Unno, Y; Uno, S; Urquijo, P; Ushiroda, Y; Varner, G; Varvell, K E; Villa, S; Wang, C C; Wang, C H; Wang, M-Z; Watanabe, Y; Xie, Q L; Yabsley, B D; Yamaguchi, A; Yamashita, Y; Yamauchi, M; Yang, Heyoung; Zhang, J; Zhang, L M; Zhang, Z P; Zhilich, V; Zontar, D; Zürcher, D

    2005-09-01

    We present a new measurement of the time-dependent CP-violating parameters in B(0)--> pi(+)pi(-) decays with 275 x 10(6) BB pairs collected with the Belle detector at the KEKB asymmetric-energy e(+)e(-) collider operating at the Gamma(4S) resonance. We find 666 +/- 43 B(0) --> pi(+)pi(-) events and measure the CP-violating parameters: S(pipi) = -0.67 +/- 0.16(stat) +/- 0.06(syst) and A(pipi) = +0.56 +/- 0.12(stat) +/- 0.06(syst). We find evidence for large direct CP violation with a significance greater than 4 standard deviations for any S(pipi) value. Using isospin relations, we obtain 95.4% confidence intervals for the Cabibbo-Kobayashi-Maskawa quark-mixing matrix angle phi(2) of 0 degree < phiv(2) < 19 degrees and 71 degrees < phi(2) < 180 degrees. PMID:16196917

  19. Observation of direct CP violation in B0 --> pi+pi- decays and model-independent constraints on the quark-mixing angle phi2.

    PubMed

    Ishino, H; Abe, K; Abe, K; Adachi, I; Aihara, H; Anipko, D; Arinstein, K; Aushev, T; Bakich, A M; Barberio, E; Barbero, M; Bedny, I; Bitenc, U; Bizjak, I; Blyth, S; Bozek, A; Bracko, M; Browder, T E; Chang, M-C; Chang, P; Chao, Y; Chen, A; Chen, K-F; Chen, W T; Cheon, B G; Chistov, R; Choi, Y; Choi, Y K; Cole, S; Dalseno, J; Dash, M; Drutskoy, A; Eidelman, S; Fratina, S; Gershon, T; Go, A; Gokhroo, G; Golob, B; Gorisek, A; Ha, H; Haba, J; Hara, K; Hayasaka, K; Hazumi, M; Heffernan, D; Hokuue, T; Hoshi, Y; Hou, S; Hsiung, Y B; Iijima, T; Imoto, A; Inami, K; Ishikawa, A; Iwasaki, Y; Kang, J H; Kapusta, P; Kataoka, S U; Katayama, N; Kawai, H; Kawasaki, T; Khan, H R; Kibayashi, A; Kichimi, H; Kinoshita, K; Korpar, S; Krizan, P; Krokovny, P; Kulasiri, R; Kumar, R; Kuo, C C; Kusaka, A; Kuzmin, A; Kwon, Y-J; Lee, M J; Lee, S E; Lesiak, T; Limosani, A; Lin, S-W; MacNaughton, J; Mandl, F; Marlow, D; Matsumoto, T; Matyja, A; McOnie, S; Mitaroff, W; Miyabayashi, K; Miyake, H; Miyata, H; Miyazaki, Y; Mizuk, R; Mohapatra, D; Nagasaka, Y; Nakano, E; Nakao, M; Nishida, S; Nitoh, O; Nozaki, T; Ogawa, S; Ohshima, T; Olsen, S L; Onuki, Y; Ozaki, H; Pakhlov, P; Pakhlova, G; Park, H; Peak, L S; Pestotnik, R; Piilonen, L E; Sahoo, H; Sakai, Y; Satoyama, N; Schietinger, T; Schneider, O; Schümann, J; Schwanda, C; Schwartz, A J; Seidl, R; Senyo, K; Sevior, M E; Shibuya, H; Shwartz, B; Somov, A; Soni, N; Stanic, S; Staric, M; Stoeck, H; Sumisawa, K; Sumiyoshi, T; Suzuki, S Y; Tajima, O; Takasaki, F; Tamai, K; Tamura, N; Tanaka, M; Teramoto, Y; Tian, X C; Trabelsi, K; Tsukamoto, T; Uehara, S; Ueno, K; Unno, Y; Uno, S; Urquijo, P; Ushiroda, Y; Usov, Y; Varner, G; Varvell, K E; Villa, S; Wang, C H; Wang, M-Z; Watanabe, Y; Won, E; Wu, C-H; Xie, Q L; Yabsley, B D; Yamaguchi, A; Yamashita, Y; Yamauchi, M; Zhang, L M; Zhang, Z P; Zhilich, V; Zupanc, A

    2007-05-25

    We report a new measurement of the time-dependent CP-violating parameters in B(0)-->pi(+)pi(-) decays with 535 x 10(6) BB pairs collected with the Belle detector at the KEKB asymmetric-energy e(+)e(-) collider operating at the Upsilon(4S) resonance. We find 1464+/-65 B(0)-->pi(+)pi(-) events and measure the CP-violating parameters S(pipi)=-0.61+/-0.10(stat)+/-0.04(syst) and A(pipi)=+0.55+/-0.08(stat)+/-0.05(syst). We observe large direct CP violation with a significance greater than 5 standard deviations for any S(pipi) value. Using isospin relations, we measure the Cabibbo-Kobayashi-Maskawa quark-mixing matrix angle phi(2)=(97+/-11) degrees for the solution consistent with the standard model and exclude the range 11 degrees

  20. Model-independent constraints on the weak phase {alpha} (or {phi}{sub 2}) and QCD penguin pollution in B{yields}{pi}{pi} decays

    SciTech Connect

    Xing Zhizhong; Zhang He

    2005-03-01

    We present an algebraic isospin approach towards a more straightforward and model-independent determination of the weak phase {alpha} (or {phi}{sub 2}) and QCD penguin pollution in B{yields}{pi}{pi} decays. The world averages of current experimental data allow us to impose some useful constraints on the isospin parameters of B{yields}{pi}{pi} transitions. We find that the magnitude of {alpha} (or {phi}{sub 2}) extracted from the indirect CP violation in the {pi}{sup +}{pi}{sup -} mode is in agreement with the standard-model expectation from other indirect measurements, but its fourfold discrete ambiguity has to be resolved in the near future.

  1. Dalitz plot analysis of the D+ ---> K- pi+ pi+ decay in the FOCUS experiment

    SciTech Connect

    Link, J.M.; Yager, P.M.; Anjos, J.C.; Bediaga, I.; Castromonte, C.; Machado, A.A.; Magnin, J.; Massafferri, A.; de Miranda, J.M.; Pepe, I.M.; Polycarpo, E.; ,

    2007-05-01

    Using data collected by the high energy photoproduction experiment FOCUS at Fermilab we performed a Dalitz plot analysis of the Cabibbo favored decay D{sup +} {yields} K{sup -}{pi}{sup +}{pi}{sup +}. This study uses 53653 Dalitz-plot events with a signal fraction of {approx} 97%, and represents the highest statistics, most complete Dalitz plot analysis for this channel. Results are presented and discussed using two different formalisms. The first is a simple sum of Breit-Wigner functions with freely fitted masses and widths. It is the model traditionally adopted and serves as comparison with the already published analyses. The second uses a K-matrix approach for the dominant S-wave, in which the parameters are fixed by first fitting K{pi} scattering data and continued to threshold by Chiral Perturbation Theory. We show that the Dalitz plot distribution for this decay is consistent with the assumption of two body dominance of the final state interactions and the description of these interactions is in agreement with other data on the K{pi} final state.

  2. Hybride interactions (stacking + H-bonds) between molecules bearing benzyl groups

    NASA Astrophysics Data System (ADS)

    Ciunik, Zbigniew; Jarosz, SÅ‚awomir

    1998-02-01

    In this paper, the crystal structure of the 3-O- benzyl-1,2-O- isopropylidene-5,6- dideoxy-α- d-ribo-hex 5- yno-1,4- furanose is presented. This is the first noticed example in which weak hydrogen bonds prevail over the Ï€-Ï€ stacking interactions of the aromatic rings. As a result, the hybride interactions are formed by the Ï€-σ stacking and the Cî—¸H⋯Ï€ hydrogen bonds. The analysis of molecular packing of crystal structures collected in the Cambridge Crystallographic Database shows that hybride interactions occur in infinite columns of benzyl groups or in binary complexes of organic molecules. Semiempirical calculations suggest that the Ï€-σ stacking interactions and the Cî—¸H⋯Ï€ hydrogen bonds have a synergic character. Probably they are the key factor which stimulates the growth of crystals.

  3. Highly sensitive reduced graphene oxide impedance sensor harnessing ?-stacking interaction mediated direct deposition of protein probes.

    PubMed

    Kim, Kwang Su; Um, Yu Mi; Jang, Ji-Ryang; Choe, Woo-Seok; Yoo, Pil J

    2013-05-01

    Graphene-based electrochemical impedance sensors have recently received much attention due to their outstanding sensing capability and economic viability. In this study, we present a novel means of constructing an impedance sensing platform via harnessing intrinsic ?-stacking interactions between probe protein molecules and reduced graphene oxide (RGO) substrate, obviating the need for introducing external chemical groups often required for covalent anchoring of the probes. To achieve this goal, protein molecules used as a probe were denatured to render their hydrophobic residues exposed in order to facilitate their direct ?-stacking interactions with the surface of RGO nanosheets. The protein molecules in denatured form, which would otherwise have difficulty in undergoing ?-stacking interactions with the RGO surface, were found to uniformly cover the RGO nanosheets at high density, conducive to providing a graphene-based impedance sensing platform capable of detecting a probe-specific analyte at high sensitivity. The proof-of-concept performance of thus-constructed RGO-based impedance sensors was demonstrated via selective detection of biological binding events of antigen-antibody reaction at a femtomolar range. Notably, since the ?-stacking interaction can occur on the entire RGO surface, it can desirably exclude a backfill process indispensable for the conventional biosensors to suppress background noise signals. Since the procedure of ?-stacking mediated direct deposition of on-purpose denatured protein probes onto the RGO surface is facile and straightforward, the proposed strategy is anticipated to extend its applicability for fabrication of high performance graphene-based bio or chemical sensors. PMID:23551147

  4. Effect of external electric field on H-bonding and ?-stacking interactions in guanine aggregates.

    PubMed

    Jissy, Akkarapattiakal K; Datta, Ayan

    2012-12-21

    The structure and electronic properties of guanine oligomers and ? stacks of guanine quartets (G-quartets) with circulene are investigated under an external field through first-principles calculations. An electric field induces nonplanarity in the guanine aggregates and also leads to an increase in the H-bond distances. The calculations reveal that the binding energy of the circulenes with G-quartets increases on application of an electric field along the stacking direction. The HOMO-LUMO gap decreases substantially under the influence of an external field. The contribution of a simple dipole-dipole interaction to the stability of the stacked system is also analyzed. The electric field along the perpendicular axis increases the dipole moments of the guanine dimer, trimer, and quartet. Such an increase in the dipole moment facilitates stacking with circulenes. The stability of G-quartet-circulene ? stacks depends on the phase of the dipole moment (in-phase or out-of-phase) induced by an external electric field. The stability of stacks of bowl-shaped circulenes with G-quartets depends on the direction of the applied field. PMID:23065813

  5. Pulling hairpinned polynucleotide chains: Does base-pair stacking interaction matter?

    NASA Astrophysics Data System (ADS)

    Zhou, Haijun; Zhang, Yang

    2001-05-01

    Force-induced structural transitions both in relatively random and in designed single-stranded DNA (ssDNA) chains are studied theoretically. At high salt conditions, ssDNA forms compacted hairpin patterns stabilized by base pairing and base-pair stacking interactions, and a threshold external force is needed to pull the hairpinned structure into a random coiled one. The base-pair stacking interaction in the ssDNA chain makes this hairpin-coil conversion a discontinuous (first-order) phase transition process characterized by a force plateau in the force-extension curve, while lowering this potential below some critical level turns this transition into continuous (second-order) type, no matter how strong the base-pairing interaction is. The phase diagram (including hairpin-I, -II, and random coil) is discussed as a function of stacking potential and external force. These results are in quantitative agreement with recent experimental observations of different ssDNA sequences, and they reveal the necessity to consider the base-pair stacking interactions in order to understand the structural formation of RNA, a polymer designed by nature itself. The theoretical method used may be extended to study the long-range interaction along double-stranded DNA caused by the topological constraint of fixed linking number.

  6. The stacking interactions of bipyridine complexes: the influence of the metal ion type on the strength of interactions.

    PubMed

    Sredojevi?, Dušan N; Petrovi?, Predrag V; Janji?, Goran V; Brothers, Edward N; Hall, Michael B; Zari?, Snežana D

    2016-01-01

    The strength of the stacking interactions in the bipy complexes of nickel, palladium, and platinum, [M(CN)2 bipy]2 (M?=?Ni, Pd, Pt), was calculated using the ?B97xD/def2-TZVP method. The results show that for all considered geometries, interactions are the strongest for platinum, and weakest for nickel complexes, as a result of higher dispersion contributions of platinum over the palladium and nickel complexes. It was also shown that strength of interactions considerably rises with an increase of the stacking overlap area. As a consequence of the favorable electrostatic term, the strength of interactions also rises when metal atom and cyano ligands are involved in the overlap with bipy ligand. The strongest interaction was calculated in the platinum complex, for the geometry that has overlap of metal and cyano ligands with bipy ligand with an energy of -39.80 kcal mol(-1). The energies for similar geometries of palladium and nickel complexes are -34.60 and -32.45 kcal mol(-1). These energies, remarkably, exceed the strength of the stacking interactions between organic aromatic molecules. These results can be of importance in all systems with stacking interactions, from materials to biomolecules. PMID:26757913

  7. Double pancake bonds: pushing the limits of strong π-π stacking interactions.

    PubMed

    Cui, Zhong-hua; Lischka, Hans; Beneberu, Habtamu Z; Kertesz, Miklos

    2014-09-17

    The concept of a double-bonded pancake bonding mechanism is introduced to explain the extremely short π-π stacking contacts in dimers of dithiatriazines. While ordinary single pancake bonds occur between radicals and already display significantly shorter interatomic distances in comparison to van der Waals (vdW) contacts, the double-bonded pancake dimer is based on diradicaloid or antiaromatic molecules and exhibits even shorter and stronger intermolecular bonds that breach into the range of extremely stretched single bonds in terms of bond distances and binding energies. These properties give rise to promising possibilities in the design of new materials with high electrical conductivity and for the field of spintronics. The analysis of the double pancake bond is based on cutting edge electron correlation theory combining multireference (nondynamical) effects and dispersion (dynamical) contributions in a balanced way providing accurate interaction energies and distributions of unpaired spins. It is also shown that the present examples do not stand isolated but that similar mechanisms operate in several analogous nonradical molecular systems to form double-bonded π-stacking pancake dimers. We report on the amazing properties of a new type of stacking interaction mechanism between π conjugated molecules in the form of a "double pancake bond" which breaks the record for short intermolecular distances and provides formidable strength for some π-π stacking interactions. PMID:25203200

  8. The influence of arene-ring size on stacking interaction with canonical base pairs

    NASA Astrophysics Data System (ADS)

    Formánek, Martin; Burda, Jaroslav V.

    2014-04-01

    Stacking interactions between aromatic molecules (benzene, p-cymene, biphenyl, and di- and tetra-hydrogen anthracene) and G.C and A.T canonical Watson-Crick (WC) base pairs are explored. Two functionals with dispersion corrections: ω-B97XD and B3LYP-D3 are used. For a comparison also the MP2 and B3LYP-D3/PCM methods were used for the most stable p-cymene…WC geometries. It was found that the stacking interaction increases with the size of π-conjugation system. Its extent is in agreement with experimental finding on anticancer activity of Ru(II) piano-stool complexes where intercalation of these aromatic molecules should play an important role. The explored structures are considered as ternary system so that decomposition of the interaction energy to pairwise and non-additivity contributions is also examined.

  9. Face-to-face stacks of trinuclear gold(I) trihalides with benzene, hexafluorobenzene, and borazine: impact of aromaticity on stacking interactions.

    PubMed

    Tsipis, Athanassios C; Stalikas, Alexandros V

    2013-01-18

    The interplay of electrostatics, charge transfer, and dispersion forces contributing to the interaction energies in 1:1, 1:2, and 2:1 binary stacks of the c-Au(3)(?(2)-X)(3) (X = F, Cl, Br, I) clusters with benzene, hexafluorobenzene, or borazine were investigated by employing a multitude of electronic structure computational techniques. The molecular and electronic structures, stabilities, bonding features, and magnetotropicity of [c-Au(3)(?(2)-X)(3)](n)(L)(m) (X = halide; L = C(6)H(6), C(6)F(6), B(3)N(3)H(6); n, m ? 2) columnar binary stacks have been investigated by DFT calculations employing the M05-2X functional. The novel binary stacks could be considered as the building blocks of extended columnar supramolecular assemblies formulated as {[c-Au(3)(?(2)-X)(3)](C(6)H(6))}(?), {[c-Au(3)(?(2)-X)(3)](2)(C(6)F(6))}(?), and {[c-Au(3)(?(2)-X)(3)](B(3)N(3)H(6))(2)}(?). In all binary stacks, with a few exceptions, the plane of the alternating c-Au(3)(?(2)-X)(3) and L (C(6)H(6), C(6)F(6), B(3)N(3)H(6)) stacking participants adopt an almost parallel face-to-face (pff) orientation. The observed trends in the intermolecular distances R in the [c-Au(3)(?(2)-X)(3)](n)(L)(m) (X = halide; L = C(6)H(6), C(6)F(6), B(3)N(3)H(6); n, m ? 2) columnar binary stacks are explained by the diverse intermolecular interactions characterizing the stacks, since the three ligands L and the c-Au(3)(?(2)-X)(3) cyclic trinuclear clusters (CTCs) exhibit diverse physical properties being important determinants of the intermolecular interactions (consisting of covalent, electrostatic, and dispersion forces). The properties considered are the zz tensor components of quadrupole moment, Q(zz), polarizability, ?(zz), nucleus-independent chemical shift, NICS(zz)(1), along with the molecular electrostatic potential, MEP(0), and surface area (S). Energy decomposition analysis (EDA) at the revPBE-D3/TZ2P level revealed that the dominant term in the stacking interactions arises mainly from dispersion and electrostatic forces, while the contribution of covalent interactions are predicted to be small. On the other hand, charge decomposition analysis (CDA) illustrated very small charge transfer from the L stacking participants toward the c-Au(3)(?(2)-X)(3) clusters. Excellent linear correlations of the interaction energy, ?E(int), and its components (?E(disp), ?E(elstat), ?E(orb), and ?E(Pauli)) with calculated physical properties related to dispersion, covalent, and electrostatic forces have been established. The most important finding is the excellent linear relationship between ?E(int) and the NICS(zz)(1) magnetic criterion of aromaticity, indicating that ?E(int) is also affected by the coupling of the induced magnetic fields of the interacting stacking participants. The magnetotropicity of the binary stacks evaluated by the NICS(zz)-scan curves indicated an enhancement of the diatropicity in the space between the interacting inorganic and organic rings, probably due to the superposition of the diamagnetic ring currents of the interacting ring systems. The energy splitting in dimer (ESID) model was employed to estimate the charge transport of electrons and holes between the ligands L and the [c-Au(3)(?(2)-X)(3)] clusters in [c-Au(3)(?(2)-X)(3)](L) 1:1 binary stacks. PMID:23270385

  10. Measurement of D^0-\\bar{D^0} Mixing From a Time-Dependent Amplitude Analysis of D^0\\ -> K^+\\pi^-\\pi0 Decays

    SciTech Connect

    Aubert, Bernard; Bona, M.; Karyotakis, Y.; Lees, J.P.; Poireau, V.; Prencipe, E.; Prudent, X.; Tisserand, V.; Garra Tico, J.; Grauges, E.; Lopez, L.; Palano, Antimo; Pappagallo, M.; Eigen, G.; Stugu, Bjarne; Sun, L.; Abrams, G.S.; Battaglia, M.; Brown, D.N.; Cahn, Robert N.; Jacobsen, R.G.; /LBL, Berkeley /Birmingham U. /Ruhr U., Bochum /Bristol U. /British Columbia U. /Brunel U. /Novosibirsk, IYF /UC, Irvine /UCLA /UC, Riverside /UC, San Diego /UC, Santa Barbara /UC, Santa Cruz /Caltech /Cincinnati U. /Colorado U. /Colorado State U. /Dortmund U. /Dresden, Tech. U. /Ecole Polytechnique /Edinburgh U. /Ferrara U. /INFN, Ferrara /Frascati /Genoa U. /INFN, Genoa /Harvard U. /Heidelberg U. /Humboldt U., Berlin /Imperial Coll., London /Iowa U. /Iowa State U. /Johns Hopkins U. /Karlsruhe U. /Orsay, LAL /LLNL, Livermore /Liverpool U. /Queen Mary, U. of London /Royal Holloway, U. of London /Louisville U. /Manchester U. /Maryland U. /Massachusetts U., Amherst /MIT /McGill U. /Consorzio Milano Ricerche /INFN, Milan /Mississippi U. /Montreal U. /Mt. Holyoke Coll. /Napoli Seconda U. /INFN, Naples /NIKHEF, Amsterdam /Notre Dame U. /Ohio State U. /Oregon U. /Padua U. /INFN, Padua /Paris U., VI-VII /Pennsylvania U. /Perugia U. /INFN, Perugia /INFN, Pisa /Princeton U. /Banca di Roma /Frascati /Rostock U. /Rutherford /DSM, DAPNIA, Saclay /South Carolina U. /SLAC /Stanford U., Phys. Dept. /SUNY, Albany /Tennessee U. /Texas U. /Texas U., Dallas /Turin U. /INFN, Turin /Trieste U. /INFN, Trieste /Valencia U., IFIC /Victoria U. /Warwick U. /Wisconsin U., Madison

    2008-08-04

    The authors present evidence of D{sup 0}-{bar D}{sup 0} mixing using a time-dependent amplitude analysis of the decay D{sup 0} {yields} K{sup +}{pi}{sup -}{pi}{sup 0} in a data sample of 384 fb{sup -1} collected with the BABAR detector at the PEP-II e{sup +}e{sup -} collider at SLAC. Assuming CP conservation, they measure the mixing parameters x{prime}{sub K{pi}{pi}{sup 0}} = [2.61{sub -0.68}{sup +0.57}(stat.) {+-} 0.39(syst.)]%, y{prime}{sub K{pi}{pi}{sup 0}} = [-0.06{sub -0.64}{sup +0.55}(stat.) {+-} 0.34(syst.)]%. The confidence level for the data to be consistent with the no-mixing hypothesis is 0.1%, including systematic uncertainties. This result is inconsistent with the no-mixing hypothesis with a significance of 3.2 standard deviations. They find no evidence of CP violation in mixing.

  11. Stack zooming for multifocus interaction in skewed-aspect visual spaces.

    PubMed

    Javed, Waqas; Elmqvist, Niklas

    2013-08-01

    Many 2D visual spaces have a virtually one-dimensional nature with very high aspect ratio between the dimensions: examples include time-series data, multimedia data such as sound or video, text documents, and bipartite graphs. Common among these is that the space can become very large, e.g., temperature measurements could span a long time period, surveillance video could cover entire days or weeks, and documents can have thousands of pages. Many analysis tasks for such spaces require several foci while retaining context and distance awareness. In this extended version of our IEEE PacificVis 2010 paper, we introduce a method for supporting this kind of multifocus interaction that we call stack zooming. The approach is based on building hierarchies of 1D strips stacked on top of each other, where each subsequent stack represents a higher zoom level, and sibling strips represent branches in the exploration. Correlation graphics show the relation between stacks and strips of different levels, providing context and distance awareness for the foci. The zoom hierarchies can also be used as graphical histories and for communicating insights to stakeholders and can be further extended with annotation and integrated statistics. PMID:23744266

  12. Computational comparison of the stacking interactions between the aromatic amino acids and the natural or (cationic) methylated nucleobases.

    PubMed

    Rutledge, Lesley R; Durst, Holly F; Wetmore, Stacey D

    2008-05-21

    The strongest gas-phase MP2/6-31G*(0.25) stacking energies between the aromatic amino acids and the natural or methylated nucleobases were considered. The potential energy surfaces of dimers were searched as a function of the vertical separation, angle of rotation and horizontal displacement between monomers stacked according to their centers of mass. Our calculations reveal that the stacking interactions of adducts for a given nucleobase are dependent on the methylation site (by up to 20 kJ mol(-1)), where the relative magnitudes of the interactions are determined by the dipole moments of the adducts and the proton affinities of nucleobase methylation sites. Nevertheless, the differences in the (gas-phase) stacking of methylated adducts are small compared with the differences between the stacking of the corresponding natural and methylated nucleobases. Indeed, methylation increases the stacking energy by up to 40 kJ mol(-1) (or 135%). Although immersing the dimers in different solvents decreases the gas-phase stacking energies with an increase in the polarity of the environment, base methylation still has a significant effect on the nucleobase stacking ability in solvents with large dipole moments, and, perhaps more importantly, environments that mimic enzyme active sites. Our results shed light on the workings of DNA repairs enzymes that selectively remove a wide variety of alkylated nucleobases over the natural bases. PMID:18464997

  13. The assessment of pi-pi selective stationary phases for two-dimensional HPLC analysis of foods: application to the analysis of coffee.

    PubMed

    Mnatsakanyan, Mariam; Stevenson, Paul G; Shock, David; Conlan, Xavier A; Goodie, Tiffany A; Spencer, Kylie N; Barnett, Neil W; Francis, Paul S; Shalliker, R Andrew

    2010-09-15

    Differences between alkyl, dipole-dipole, hydrogen bonding, and pi-pi selective surfaces represented by non-resonance and resonance pi-stationary phases have been assessed for the separation of 'Ristretto' café espresso by employing 2DHPLC techniques with C18 phase selectivity detection. Geometric approach to factor analysis (GAFA) was used to measure the detected peaks (N), spreading angle (beta), correlation, practical peak capacity (n(p)) and percentage usage of the separations space, as an assessment of selectivity differences between regional quadrants of the two-dimensional separation plane. Although all tested systems were correlated to some degree to the C18 dimension, regional measurement of separation divergence revealed that performance of specific systems was better for certain sample components. The results illustrate that because of the complexity of the 'real' sample obtaining a truly orthogonal two-dimensional system for complex samples of natural origin may be practically impossible. PMID:20801340

  14. Measurement of D{0}-D[-over]{0} mixing from a time-dependent amplitude analysis of D{0}-->K+pi{-}pi{0} decays.

    PubMed

    Aubert, B; Bona, M; Karyotakis, Y; Lees, J P; Poireau, V; Prencipe, E; Prudent, X; Tisserand, V; Tico, J Garra; Grauges, E; Lopez, L; Palano, A; Pappagallo, M; Eigen, G; Stugu, B; Sun, L; Abrams, G S; Battaglia, M; Brown, D N; Cahn, R N; Jacobsen, R G; Kerth, L T; Kolomensky, Yu G; Lynch, G; Osipenkov, I L; Ronan, M T; Tackmann, K; Tanabe, T; Hawkes, C M; Soni, N; Watson, A T; Koch, H; Schroeder, T; Walker, D; Asgeirsson, D J; Fulsom, B G; Hearty, C; Mattison, T S; McKenna, J A; Barrett, M; Khan, A; Blinov, V E; Bukin, A D; Buzykaev, A R; Druzhinin, V P; Golubev, V B; Onuchin, A P; Serednyakov, S I; Skovpen, Yu I; Solodov, E P; Todyshev, K Yu; Bondioli, M; Curry, S; Eschrich, I; Kirkby, D; Lankford, A J; Lund, P; Mandelkern, M; Martin, E C; Stoker, D P; Abachi, S; Buchanan, C; Gary, J W; Liu, F; Long, O; Shen, B C; Vitug, G M; Yasin, Z; Zhang, L; Sharma, V; Campagnari, C; Hong, T M; Kovalskyi, D; Mazur, M A; Richman, J D; Beck, T W; Eisner, A M; Flacco, C J; Heusch, C A; Kroseberg, J; Lockman, W S; Schalk, T; Schumm, B A; Seiden, A; Wang, L; Wilson, M G; Winstrom, L O; Cheng, C H; Doll, D A; Echenard, B; Fang, F; Hitlin, D G; Narsky, I; Piatenko, T; Porter, F C; Andreassen, R; Mancinelli, G; Meadows, B T; Mishra, K; Sokoloff, M D; Bloom, P C; Ford, W T; Gaz, A; Hirschauer, J F; Nagel, M; Nauenberg, U; Smith, J G; Ulmer, K A; Wagner, S R; Ayad, R; Soffer, A; Toki, W H; Wilson, R J; Altenburg, D D; Feltresi, E; Hauke, A; Jasper, H; Karbach, M; Merkel, J; Petzold, A; Spaan, B; Wacker, K; Kobel, M J; Mader, W F; Nogowski, R; Schubert, K R; Schwierz, R; Sundermann, J E; Volk, A; Bernard, D; Bonneaud, G R; Latour, E; Thiebaux, Ch; Verderi, M; Clark, P J; Gradl, W; Playfer, S; Watson, J E; Andreotti, M; Bettoni, D; Bozzi, C; Calabrese, R; Cecchi, A; Cibinetto, G; Franchini, P; Luppi, E; Negrini, M; Petrella, A; Piemontese, L; Santoro, V; Baldini-Ferroli, R; Calcaterra, A; de Sangro, R; Finocchiaro, G; Pacetti, S; Patteri, P; Peruzzi, I M; Piccolo, M; Rama, M; Zallo, A; Buzzo, A; Contri, R; Lo Vetere, M; Macri, M M; Monge, M R; Passaggio, S; Patrignani, C; Robutti, E; Santroni, A; Tosi, S; Chaisanguanthum, K S; Morii, M; Marks, J; Schenk, S; Uwer, U; Klose, V; Lacker, H M; Bard, D J; Dauncey, P D; Nash, J A; Vazquez, W Panduro; Tibbetts, M; Behera, P K; Chai, X; Charles, M J; Mallik, U; Cochran, J; Crawley, H B; Dong, L; Meyer, W T; Prell, S; Rosenberg, E I; Rubin, A E; Gao, Y Y; Gritsan, A V; Guo, Z J; Lae, C K; Denig, A G; Fritsch, M; Schott, G; Arnaud, N; Béquilleux, J; D'Orazio, A; Davier, M; da Costa, J Firmino; Grosdidier, G; Höcker, A; Lepeltier, V; Le Diberder, F; Lutz, A M; Pruvot, S; Roudeau, P; Schune, M H; Serrano, J; Sordini, V; Stocchi, A; Wormser, G; Lange, D J; Wright, D M; Bingham, I; Burke, J P; Chavez, C A; Fry, J R; Gabathuler, E; Gamet, R; Hutchcroft, D E; Payne, D J; Touramanis, C; Bevan, A J; Clarke, C K; George, K A; Di Lodovico, F; Sacco, R; Sigamani, M; Cowan, G; Flaecher, H U; Hopkins, D A; Paramesvaran, S; Salvatore, F; Wren, A C; Brown, D N; Davis, C L; Alwyn, K E; Bailey, D; Barlow, R J; Chia, Y M; Edgar, C L; Jackson, G; Lafferty, G D; West, T J; Yi, J I; Anderson, J; Chen, C; Jawahery, A; Roberts, D A; Simi, G; Tuggle, J M; Dallapiccola, C; Li, X; Salvati, E; Saremi, S; Cowan, R; Dujmic, D; Fisher, P H; Koeneke, K; Sciolla, G; Spitznagel, M; Taylor, F; Yamamoto, R K; Zhao, M; Patel, P M; Robertson, S H; Lazzaro, A; Lombardo, V; Palombo, F; Bauer, J M; Cremaldi, L; Eschenburg, V; Godang, R; Kroeger, R; Sanders, D A; Summers, D J; Zhao, H W; Simard, M; Taras, P; Viaud, F B; Nicholson, H; De Nardo, G; Lista, L; Monorchio, D; Onorato, G; Sciacca, C; Raven, G; Snoek, H L; Jessop, C P; Knoepfel, K J; LoSecco, J M; Wang, W F; Benelli, G; Corwin, L A; Honscheid, K; Kagan, H; Kass, R; Morris, J P; Rahimi, A M; Regensburger, J J; Sekula, S J; Wong, Q K; Blount, N L; Brau, J; Frey, R; Igonkina, O; Kolb, J A; Lu, M; Rahmat, R; Sinev, N B; Strom, D; Strube, J; Torrence, E; Castelli, G; Gagliardi, N; Margoni, M; Morandin, M; Posocco, M; Rotondo, M; Simonetto, F; Stroili, R; Voci, C; Sanchez, P del Amo; Ben-Haim, E; Briand, H; Calderini, G; Chauveau, J; David, P; Del Buono, L; Hamon, O; Leruste, Ph; Ocariz, J; Perez, A; Prendki, J; Sitt, S; Gladney, L; Biasini, M; Covarelli, R; Manoni, E; Angelini, C; Batignani, G; Bettarini, S; Carpinelli, M; Cervelli, A; Forti, F; Giorgi, M A; Lusiani, A; Marchiori, G; Morganti, M; Neri, N; Paoloni, E; Rizzo, G; Walsh, J J; Pegna, D Lopes; Lu, C; Olsen, J; Smith, A J S; Telnov, A V; Anulli, F; Baracchini, E; Cavoto, G; del Re, D; Di Marco, E; Faccini, R; Ferrarotto, F; Ferroni, F; Gaspero, M; Jackson, P D; Gioi, L Li; Mazzoni, M A; Morganti, S; Piredda, G; Polci, F; Renga, F; Voena, C; Ebert, M; Hartmann, T; Schröder, H; Waldi, R; Adye, T; Franek, B; Olaiya, E O; Wilson, F F; Emery, S; Escalier, M; Esteve, L; Ganzhur, S F

    2009-11-20

    We present evidence of D{0}-D[-over ]{0} mixing using a time-dependent amplitude analysis of the decay D{0}-->K+pi{-}pi;{0} in a data sample of 384 fb{-1} collected with the BABAR detector at the PEP-II e+e{-} collider at the Stanford Linear Accelerator Center. Assuming CP conservation, we measure the mixing parameters x{Kpipi{0}}{'}=[2.61{-0.68}{+0.57}(stat)+/-0.39(syst)]%, y{Kpipi;{0}}{'}=[-0.06{-0.64}{+0.55}(stat)+/-0.34(syst)]%. This result is inconsistent with the no-mixing hypothesis with a significance of 3.2 standard deviations. We find no evidence of CP violation in mixing. PMID:20366027

  15. Measurement of the quark mixing parameter cos2phi1 using time-dependent Dalitz analysis of B0 -->D[KS(0)pi + pi-]h0.

    PubMed

    Krokovny, P; Abe, K; Abe, K; Adachi, I; Aihara, H; Anipko, D; Arinstein, K; Asano, Y; Aulchenko, V; Aushev, T; Bahinipati, S; Bakich, A M; Balagura, V; Barberio, E; Bay, A; Bitenc, U; Bizjak, I; Bondar, A; Bozek, A; Bracko, M; Browder, T E; Chao, Y; Chen, A; Chen, W T; Choi, Y; Chuvikov, A; Cole, S; Dalseno, J; Danilov, M; Dash, M; Eidelman, S; Epifanov, D; Fratina, S; Gabyshev, N; Garmash, A; Gershon, T; Go, A; Gorisek, A; Ha, H; Hayasaka, K; Hayashii, H; Hazumi, M; Heffernan, D; Higuchi, T; Hinz, L; Hokuue, T; Hoshi, Y; Hou, S; Hou, W-S; Hsiung, Y B; Iijima, T; Ikado, K; Imoto, A; Inami, K; Ishikawa, A; Ishino, H; Itoh, R; Iwasaki, M; Iwasaki, Y; Kang, J H; Katayama, N; Kawai, H; Kawasaki, T; Kichimi, H; Kim, H J; Kim, S M; Kinoshita, K; Korpar, S; Krizan, P; Kulasiri, R; Kumar, R; Kuo, C C; Kuzmin, A; Kwon, Y-J; Lee, J; Lesiak, T; Li, J; Lin, S-W; Majumder, G; Matsumoto, T; McOnie, S; Mitaroff, W; Miyabayashi, K; Miyazaki, Y; Mori, T; Nakamura, I; Nakao, M; Nishida, S; Nozaki, T; Ogawa, S; Ohshima, T; Okabe, T; Okuno, S; Ozaki, H; Pakhlov, P; Park, C W; Park, H; Peak, L S; Pestotnik, R; Piilonen, L E; Poluektov, A; Rozanska, M; Sakai, Y; Sarangi, T R; Sato, N; Satoyama, N; Schietinger, T; Schneider, O; Senyo, K; Shibuya, H; Shwartz, B; Singh, J B; Sokolov, A; Somov, A; Soni, N; Stamen, R; Staric, M; Stoeck, H; Sumisawa, K; Tajima, O; Takasaki, F; Tamai, K; Tanaka, M; Teramoto, Y; Tian, X C; Trabelsi, K; Tsuboyama, T; Tsukamoto, T; Uehara, S; Ueno, K; Uno, S; Urquijo, P; Ushiroda, Y; Varner, G; Varvell, K E; Villa, S; Wang, C C; Wang, C H; Watanabe, Y; Won, E; Yabsley, B D; Yamaguchi, A; Yamashita, Y; Yamauchi, M; Ying, J; Zhang, L M; Zhang, Z P; Zhilich, V

    2006-08-25

    We present a measurement of the angle phi1 of the Cabibbo-Kobayashi-Maskawa unitarity triangle using a time-dependent Dalitz analysis of D-->KS(0)pi + pi- decays produced in neutral B meson decay to a neutral D meson and a light meson (B0-->D*h0). The method allows a direct extraction of 2phi1 and, therefore, helps to resolve the ambiguity between 2phi1 and pi-2phi1 in the measurement of sin2phi1. We obtain sin2phi1= 0.78 +/- 0.44 +/- 0.22 and cos2varphi1 = 1.87(-0.53-0.32)(+0.40 + 0.22). The sign of cos2phi1 is determined to be positive at 98.3% C.L. PMID:17026290

  16. Can one detect new physics in I=0 and/or I=2 contributions to the decays B{yields}{pi}{pi}

    SciTech Connect

    Baek, Seungwon; London, David; Botella, F.J.; Silva, Joao P.

    2005-08-01

    We study the effects of new-physics contributions to B{yields}{pi}{pi} decays, which can be parametrized as four new complex quantities. A simple analysis is provided by utilizing the reparametrization invariance of the decay amplitudes. We find that six quantities can be reabsorbed into the definitions of Standard Model-like parameters. As a result, the usual isospin analysis provides only two constraints on new physics which are independent of estimates for the Standard Model contributions. In particular, we show that one is not sensitive to new physics affecting the I=0 amplitudes. On the other hand, I=2 new physics can be detected, and its parameters can be measured by using independent determinations of the weak phases. We obtain constraints on these new-physics parameters through a fit to the current experimental data.

  17. Mesonic excitations and {pi}-{pi} scattering lengths at finite temperature in the two-flavor Polyakov-Nambu-Jona-Lasinio model

    SciTech Connect

    Fu Weijie; Liu Yuxin

    2009-04-01

    The mesonic excitations and s-wave {pi}-{pi} scattering lengths at finite temperature are studied in the two-flavor Polyakov-Nambu-Jona-Lasinio (PNJL) model. The masses of the {pi} and {sigma} mesons, pion-decay constant, the pion-quark coupling strength, and the scattering lengths a{sub 0} and a{sub 2} at finite temperature are calculated in the PNJL model with two forms of Polyakov-loop effective potential. The obtained results are almost independent of the choice of the effective potentials. The calculated results in the PNJL model are also compared with those in the conventional Nambu-Jona-Lasinio model and indicate that the effect of color confinement screens the effect of temperature below the critical one in the PNJL model. Furthermore, the Goldberger-Treiman relation and the Gell-Mann-Oakes-Renner relation are extended to the case at finite temperature in the PNJL model.

  18. Limits on D0-macro D0 mixing and CP violation from the ratio of lifetimes for decay to K-pi+, K-K+, and pi- pi+.

    PubMed

    Aubert, B; Barate, R; Boutigny, D; Gaillard, J-M; Hicheur, A; Karyotakis, Y; Lees, J P; Robbe, P; Tisserand, V; Zghiche, A; Palano, A; Pompili, A; Chen, J C; Qi, N D; Rong, G; Wang, P; Zhu, Y S; Eigen, G; Ofte, I; Stugu, B; Abrams, G S; Borgland, A W; Breon, A B; Brown, D N; Button-Shafer, J; Cahn, R N; Charles, E; Day, C T; Gill, M S; Gritsan, A V; Groysman, Y; Jacobsen, R G; Kadel, R W; Kadyk, J; Kerth, L T; Kolomensky, Yu G; Kral, J F; Kukartsev, G; LeClerc, C; Levi, M E; Lynch, G; Mir, L M; Oddone, P J; Orimoto, T J; Pripstein, M; Roe, N A; Romosan, A; Ronan, M T; Shelkov, V G; Telnov, A V; Wenzel, W A; Ford, K; Harrison, T J; Hawkes, C M; Knowles, D J; Morgan, S E; Penny, R C; Watson, A T; Watson, N K; Deppermann, T; Goetzen, K; Koch, H; Lewandowski, B; Pelizaeus, M; Peters, K; Schmuecker, H; Steinke, M; Barlow, N R; Boyd, J T; Chevalier, N; Cottingham, W N; Kelly, M P; Latham, T E; Mackay, C; Wilson, F F; Abe, K; Cuhadar-Donszelmann, T; Hearty, C; Mattison, T S; McKenna, J A; Thiessen, D; Kyberd, P; McKemey, A K; Blinov, V E; Bukin, A D; Golubev, V B; Ivanchenko, V N; Kravchenko, E A; Onuchin, A P; Serednyakov, S I; Skovpen, Yu I; Solodov, E P; Yushkov, A N; Best, D; Chao, M; Kirkby, D; Lankford, A J; Mandelkern, M; McMahon, S; Mommsen, R K; Roethel, W; Stoker, D P; Buchanan, C; del Re, D; Hadavand, H K; Hill, E J; MacFarlane, D B; Paar, H P; Rahatlou, Sh; Schwanke, U; Sharma, V; Berryhill, J W; Campagnari, C; Dahmes, B; Kuznetsova, N; Levy, S L; Long, O; Lu, A; Mazur, M A; Richman, J D; Verkerke, W; Beck, T W; Beringer, J; Eisner, A M; Grothe, M; Heusch, C A; Lockman, W S; Schalk, T; Schmitz, R E; Schumm, B A; Seiden, A; Turri, M; Walkowiak, W; Williams, D C; Wilson, M G; Albert, J; Chen, E; Dubois-Felsmann, G P; Dvoretskii, A; Hitlin, D G; Narsky, I; Porter, F C; Ryd, A; Samuel, A; Yang, S; Jayatilleke, S; Mancinelli, G; Meadows, B T; Sokoloff, M D; Abe, T; Barillari, T; Blanc, F; Bloom, P; Clark, P J; Ford, W T; Nauenberg, U; Olivas, A; Rankin, P; Roy, J; Smith, J G; van Hoek, W C; Zhang, L; Harton, J L; Hu, T; Soffer, A; Toki, W H; Wilson, R J; Zhang, J; Altenburg, D; Brandt, T; Brose, J; Colberg, T; Dickopp, M; Dubitzky, R S; Hauke, A; Lacker, H M; Maly, E; Müller-Pfefferkorn, R; Nogowski, R; Otto, S; Schubert, K R; Schwierz, R; Spaan, B; Wilden, L; Bernard, D; Bonneaud, G R; Brochard, F; Cohen-Tanugi, J; Thiebaux, Ch; Vasileiadis, G; Verderi, M; Khan, A; Lavin, D; Muheim, F; Playfer, S; Swain, J E; Tinslay, J; Andreotti, M; Bettoni, D; Bozzi, C; Calabrese, R; Cibinetto, G; Luppi, E; Negrini, M; Piemontese, L; Sarti, A; Treadwell, E; Anulli, F; Baldini-Ferroli, R; Calcaterra, A; de Sangro, R; Falciai, D; Finocchiaro, G; Patteri, P; Peruzzi, I M; Piccolo, M; Zallo, A; Buzzo, A; Contri, R; Crosetti, G; Lo Vetere, M; Macri, M; Monge, M R; Passaggio, S; Pastore, F C; Patrignani, C; Robutti, E; Santroni, A; Tosi, S; Bailey, S; Morii, M; Aspinwall, M L; Bhimji, W; Bowerman, D A; Dauncey, P D; Egede, U; Eschrich, I; Morton, G W; Nash, J A; Sanders, P; Taylor, G P; Grenier, G J; Lee, S-J; Mallik, U; Cochran, J; Crawley, H B; Lamsa, J; Meyer, W T; Prell, S; Rosenberg, E I; Yi, J; Davier, M; Grosdidier, G; Höcker, A; Laplace, S; Le Diberder, F; Lepeltier, V; Lutz, A M; Petersen, T C; Plaszczynski, S; Schune, M H; Tantot, L; Wormser, G; Brigljević, V; Cheng, C H; Lange, D J; Wright, D M; Bevan, A J; Coleman, J P; Fry, J R; Gabathuler, E; Gamet, R; Kay, M; Parry, R J; Payne, D J; Sloane, R J; Touramanis, C; Back, J J; Harrison, P F; Shorthouse, H W; Strother, P; Vidal, P B; Brown, C L; Cowan, G; Flack, R L; Flaecher, H U; George, S; Green, M G; Kurup, A; Marker, C E; McMahon, T R; Ricciardi, S; Salvatore, F; Vaitsas, G; Winter, M A; Brown, D; Davis, C L; Allison, J; Barlow, R J; Forti, A C; Hart, P A; Jackson, F; Lafferty, G D; Lyon, A J; Weatherall, J H; Williams, J C; Farbin, A; Jawahery, A; Kovalskyi, D; Lae, C K; Lillard, V; Roberts, D A; Blaylock, G; Dallapiccola, C; Flood, K T; Hertzbach, S S; Kofler, R; Koptchev, V B; Moore, T B; Saremi, S; Staengle, H; Willocq, S; Cowan, R; Sciolla, G; Taylor, F; Yamamoto, R K; Mangeol, D J J; Milek, M; Patel, P M; Lazzaro, A; Palombo, F; Bauer, J M; Cremaldi, L; Eschenburg, V; Godang, R; Kroeger, R; Reidy, J; Sanders, D A; Summers, D J; Zhao, H W; Hast, C; Taras, P; Nicholson, H; Cartaro, C; Cavallo, N; De Nardo, G; Fabozzi, F; Gatto, C; Lista, L; Paolucci, P; Piccolo, D; Sciacca, C; Baak, M A; Raven, G; LoSecco, J M; Gabriel, T A; Brau, B; Pulliam, T; Brau, J; Frey, R; Potter, C T; Sinev, N B; Strom, D; Torrence, E; Colecchia, F; Dorigo, A; Galeazzi, F; Margoni, M; Morandin, M; Posocco, M; Rotondo, M; Simonetto, F; Stroili, R; Tiozzo, G; Voci, C; Benayoun, M; Briand, H; Chauveau, J; David, P; de la Vaissière, Ch; Del Buono, L; Hamon, O; John, M J J; Leruste, Ph; Ocariz, J; Pivk, M; Roos, L; Stark, J; T'Jampens, S; Manfredi, P F; Re, V; Gladney, L; Guo, Q H; Panetta, J; Angelini, C; Batignani, G; Bettarini, S; Bondioli, M; Bucci, F; Calderini, G; Carpinelli, M; Forti, F; Giorgi, M A; Lusiani, A; Marchiori, G; Martinez-Vidal, F; Morganti, M; Neri, N; Paoloni, E; Rama, M; Rizzo, G; Sandrelli, F; Walsh, J; Haire, M; Judd, D; Paick, K; Wagoner, D E; Danielson, N; Elmer, P; Lu, C; Miftakov, V; Olsen, J; Smith, A J S; Varnes, E W; Bellini, F; Cavoto, G; Faccini, R; Ferrarotto, F; Ferroni, F; Gaspero, M; Mazzoni, M A; Morganti, S; Pierini, M; Piredda, G; Safai Tehrani, F; Voena, C; Christ, S; Wagner, G; Waldi, R; Adye, T; De Groot, N; Franek, B; Geddes, N I; Gopal, G P; Olaiya, E O; Xella, S M; Aleksan, R; Emery, S; Gaidot, A; Ganzhur, S F; Giraud, P-F; Hamel de Monchenault, G; Kozanecki, W; Langer, M; London, G W; Mayer, B; Schott, G; Vasseur, G; Yeche, Ch; Zito, M; Purohit, M V; Weidemann, A W; Yumiceva, F X; Aston, D; Bartoldus, R; Berger, N; Boyarski, A M; Buchmueller, O L; Convery, M R; Coupal, D P; Dong, D; Dorfan, J; Dujmic, D; Dunwoodie, W; Field, R C; Glanzman, T; Gowdy, S J; Grauges-Pous, E; Hadig, T; Halyo, V; Hryn'ova, T; Innes, W R; Jessop, C P; Kelsey, M H; Kim, P; Kocian, M L; Langenegger, U; Leith, D W G S; Luitz, S; Luth, V; Lynch, H L; Marsiske, H; Menke, S; Messner, R; Muller, D R; O'Grady, C P; Ozcan, V E; Perazzo, A; Perl, M; Petrak, S; Ratcliff, B N; Robertson, S H; Roodman, A; Salnikov, A A; Schindler, R H; Schwiening, J; Simi, G; Snyder, A; Soha, A; Stelzer, J; Su, D; Sullivan, M K; Tanaka, H A; Va'vra, J; Wagner, S R; Weaver, M; Weinstein, A J R; Wisniewski, W J; Wright, D H; Young, C C; Burchat, P R; Edwards, A J; Meyer, T I; Roat, C; Ahmed, S; Alam, M S; Ernst, J A; Saleem, M; Wappler, F R; Bugg, W; Krishnamurthy, M; Spanier, S M; Eckmann, R; Kim, H; Ritchie, J L; Schwitters, R F; Izen, J M; Kitayama, I; Lou, X C; Ye, S; Bianchi, F; Bona, M; Gallo, F; Gamba, D; Borean, C; Bosisio, L; Della Ricca, G; Dittongo, S; Grancagnolo, S; Lanceri, L; Poropat, P; Vitale, L; Vuagnin, G; Panvini, R S; Banerjee, Sw; Brown, C M; Fortin, D; Jackson, P D; Kowalewski, R; Roney, J M; Band, H R; Dasu, S; Datta, M; Eichenbaum, A M; Hu, H; Johnson, J R; Kutter, P E; Li, H; Liu, R; Di Lodovico, F; Mihalyi, A; Mohapatra, A K; Pan, Y; Prepost, R; Sekula, S J; von Wimmersperg-Toeller, J H; Wu, J; Wu, S L; Yu, Z; Neal, H

    2003-09-19

    We present a measurement of D0-macro D0 mixing parameters using the ratios of lifetimes extracted from samples of D0 mesons decaying to K-pi(+), K-K+, and pi(-)pi(+). Using 91 fb(-1) of data collected by the BABAR detector at the PEP-II asymmetric-energy B Factory, we obtain a value Y=[0.8+/-0.4(stat.)(+0.5)(-0.4)(syst.)]%, which, in the limit of CP conservation, corresponds to the mixing parameter y=Delta Gamma/2 Gamma. Using the difference in lifetimes of D0 and macro D0 mesons, we obtain the CP-violation parameter Delta Y=[-0.8+/-0.6(stat.)+/-0.2(syst.)]%. PMID:14525353

  19. Doping Dependence of the $(\\pi,\\pi)$ Shadow Band in La-Based Cuprates Studied by Angle-Resolved Photoemission Spectroscopy

    SciTech Connect

    Shen, Z. X.

    2011-08-15

    The ({pi},{pi}) shadow band (SB) in La-based cuprate family (La214) was studied by angle-resolved photoemission spectroscopy (ARPES) over a wide doping range from x = 0.01 to x = 0.25. Unlike the well-studied case of the Bi-based cuprate family, an overall strong, monotonic doping dependence of the SB intensity at the Fermi level (E{sub F}) was observed. In contrast to a previous report for the presence of the SB only close to x = 1/8, we found it exists in a wide doping range, associated with a doping-independent ({pi},{pi}) wave vector but strongly doping-dependent intensity: It is the strongest at x {approx} 0.03 and systematically diminishes as the doping increases until it becomes negligible in the overdoped regime. This SB with the observed doping dependence of intensity can in principle be caused by the antiferromagnetic fluctuations or a particular form of low-temperature orthorhombic lattice distortion known to persist up to x {approx} 0.21 in the system, with both being weakened with increasing doping. However, a detailed binding energy dependent analysis of the SB at x = 0.07 does not appear to support the former interpretation, leaving the latter as a more plausible candidate, despite a challenge in quantitatively linking the doping dependences of the SB intensity and the magnitude of the lattice distortion. Our finding highlights the necessity of a careful and global consideration of the inherent structural complications for correctly understanding the cuprate Fermiology and its microscopic implication.

  20. Lattice extraction of K{yields}{pi}{pi} amplitudes to next-to-leading order in partially quenched and in full chiral perturbation theory

    SciTech Connect

    Laiho, Jack; Soni, Amarjit

    2005-01-01

    We show that it is possible to construct {epsilon}{sup '}/{epsilon} to next-to-leading order (NLO) using partially quenched chiral perturbation theory (PQChPT) from amplitudes that are computable on the lattice. We demonstrate that none of the needed amplitudes require 3-momentum on the lattice for either the full theory or the partially quenched theory; nondegenerate quark masses suffice. Furthermore, we find that the electro-weak penguin ({delta}I=3/2 and 1/2) contributions to {epsilon}{sup '}/{epsilon} in PQChPT can be determined to NLO using only degenerate (m{sub K}=m{sub {pi}}) K{yields}{pi} computations without momentum insertion. Issues pertaining to power divergent contributions, originating from mixing with lower dimensional operators, are addressed. Direct calculations of K{yields}{pi}{pi} at unphysical kinematics are plagued with enhanced finite volume effects in the (partially) quenched theory, but in simulations when the sea quark mass is equal to the up and down quark mass the enhanced finite volume effects vanish to NLO in PQChPT. In embedding the QCD penguin left-right operator onto PQChPT an ambiguity arises, as first emphasized by Golterman and Pallante. With one version [the 'PQS' (patially quenched singlet)] of the QCD penguin, the inputs needed from the lattice for constructing K{yields}{pi}{pi} at NLO in PQChPT coincide with those needed for the full theory. Explicit expressions for the finite logarithms emerging from our NLO analysis to the above amplitudes also are given.

  1. Extracting Drug-Drug Interaction from the Biomedical Literature Using a Stacked Generalization-Based Approach

    PubMed Central

    He, Linna; Yang, Zhihao; Zhao, Zhehuan; Lin, Hongfei; Li, Yanpeng

    2013-01-01

    Drug-drug interaction (DDI) detection is particularly important for patient safety. However, the amount of biomedical literature regarding drug interactions is increasing rapidly. Therefore, there is a need to develop an effective approach for the automatic extraction of DDI information from the biomedical literature. In this paper, we present a Stacked Generalization-based approach for automatic DDI extraction. The approach combines the feature-based, graph and tree kernels and, therefore, reduces the risk of missing important features. In addition, it introduces some domain knowledge based features (the keyword, semantic type, and DrugBank features) into the feature-based kernel, which contribute to the performance improvement. More specifically, the approach applies Stacked generalization to automatically learn the weights from the training data and assign them to three individual kernels to achieve a much better performance than each individual kernel. The experimental results show that our approach can achieve a better performance of 69.24% in F-score compared with other systems in the DDI Extraction 2011 challenge task. PMID:23785452

  2. [The role of stacking interactions in the mechanisms of clonidine binding].

    PubMed

    Shchegolev, B F; Shliakhto, E V; Khrustaleva, R S; Katina, I E; Tsyrlin, V A

    2007-01-01

    The stacking interactions of the clonidine aromatic ring with the aromatic rings of Phe or Tyr of alpha2-adrenoreceptor and Tyr aromatic ring of the pore of the tetradotoxin-resistant channel have been investigated. Ab initio quantum chemical calculations for a model system of two parallel aromatic rings were performed by GAMESS software with 6-31G** basis set in the framework of the Moller-Plesset second-order perturbation theory with full geometry optimization without any symmetry. It was shown that the parallel shifted conformation of two aromatic rings is energetically most favorable. The 2,6-chlorination of one of the benzene rings leads to the amplification of the stacking interaction, an increase in the relative shift of the rings and possible growth of both the hypotensive and analgetic functions of clonidine due to the increase in the binding energy. The 4-fluoridization of the clonidine benzene ring can amplify its analgetic function but practically excludes its hypotensive action. PMID:18225648

  3. Dislocation-stacking fault tetrahedron interaction: what can we learn from atomic scale modelling.

    SciTech Connect

    Osetskiy, Yury N; Stoller, Roger E; Matsukawa, Yoshitaka

    2004-01-01

    The high number density of stacking fault tetrahedra (SFTs) observed in irradiated fcc metals suggests that they should contribute to radiation-induced hardening and, therefore, taken into account when estimating mechanical properties changes of irradiated materials. The central issue is describing the individual interaction between a moving dislocation and an SFT, which is characterized by a very fine size scale, {approx}100 nm. This scale is amenable to both in situ TEM experiments and large-scale atomic modelling. In this paper we present results of an atomistic simulation of dislocation-SFT interactions using molecular dynamics (MD). The results are compared with observations from in situ deformation experiments. It is demonstrated that in some cases the simulations and experimental observations are quite similar, suggesting a reasonable interpretation of experimental observations.

  4. Evidence of ?-stacking Interactions in the Self-Assembly of hIAPP22–29†

    PubMed Central

    Profit, Adam A.; Felsen, Valentina; Chinwong, Justina; Mojica, Elmer-Rico E.; Desamero, Ruel Z. B.

    2012-01-01

    The role aromatic amino acids play in the formation of amyloid is a subject of controversy. In an effort to clarify the contribution of aromaticity to the self-assembly of hIAPP22–29, peptide analogs containing electron donating groups (EDGs) or electron withdrawing groups (EWGs) as substituents on the aromatic ring of Phe-23 at the para position have been synthesized and characterized using turbidity measurements in conjunction with Raman, and fluorescence spectroscopy. Results indicate the incorporation of EDGs on the aromatic ring of Phe-23 virtually abolish the ability of hIAPP22–29 to form amyloid. Peptides containing EWGs were still capable of forming aggregates. These aggregates were found to be rich in ?-sheet secondary structure. TEM images of the aggregates confirm the presence of amyloid fibrils. The observed difference in amyloidogenic propensity between peptides containing EDGs and those with EWGs appears not to be based on differences in peptide hydrophobicity. Fluorescence and Raman spectroscopic investigations reveal that the environment surrounding the aromatic ring becomes more hydrophobic and ordered upon aggregation. Furthermore, Raman measurements of peptide analogs containing EWGs, conclusively demonstrate a distinct downshift in the -C=C- ring mode (ca. 1600 cm?1) upon aggregation that has previously been shown to be indicative of ?-stacking. While previous work has demonstrated that ?-stacking is not an absolute requirement for fibrillization, our findings indicate that Phe-23 also contributes to fibril formation through ?-stacking interactions and that it is not only the hydrophobic nature of this residue that is relevant in the self-assembly of hIAPP22–29. PMID:23229921

  5. Evidence of ?-stacking interactions in the self-assembly of hIAPP(22-29).

    PubMed

    Profit, Adam A; Felsen, Valentina; Chinwong, Justina; Mojica, Elmer-Rico E; Desamero, Ruel Z B

    2013-04-01

    The role aromatic amino acids play in the formation of amyloid is a subject of controversy. In an effort to clarify the contribution of aromaticity to the self-assembly of human islet amyloid polypeptide (hIAPP)22-29 , peptide analogs containing electron donating groups (EDGs) or electron withdrawing groups (EWGs) as substituents on the aromatic ring of Phe-23 at the para position have been synthesized and characterized using turbidity measurements in conjunction with Raman and fluorescence spectroscopy. Results indicate the incorporation of EDGs on the aromatic ring of Phe-23 virtually abolish the ability of hIAPP22-29 to form amyloid. Peptides containing EWGs were still capable of forming aggregates. These aggregates were found to be rich in ?-sheet secondary structure. Transmission electron microscopy images of the aggregates confirm the presence of amyloid fibrils. The observed difference in amyloidogenic propensity between peptides containing EDGs and those with EWGs appears not to be based on differences in peptide hydrophobicity. Fluorescence and Raman spectroscopic investigations reveal that the environment surrounding the aromatic ring becomes more hydrophobic and ordered upon aggregation. Furthermore, Raman measurements of peptide analogs containing EWGs, conclusively demonstrate a distinct downshift in the ?C?C? ring mode (ca. 1600 cm(-1) ) upon aggregation that has previously been shown to be indicative of ?-stacking. While previous work has demonstrated that ?-stacking is not an absolute requirement for fibrillization, our findings indicate that Phe-23 also contributes to fibril formation through ?-stacking interactions and that it is not only the hydrophobic nature of this residue that is relevant in the self-assembly of hIAPP22-29 . © Proteins 2013. © 2012 Wiley Periodicals, Inc. PMID:23229921

  6. Polymorphous One-Dimensional Tetrapyridylporphyrin Coordination Polymers Which Structurally Mimic Aryl Stacking Interactions

    NASA Astrophysics Data System (ADS)

    Krishnamohan Sharma, C. V.; Broker, Grant A.; Rogers, Robin D.

    2000-06-01

    Two polymorphic structures of rigid one-dimensional (1D) coordination polymers, [(HgBr2)2TPyP] · 2(1,1,2,2-tetrachloroethane, TCE) (1A, 1B), have been isolated in which the 1D polymers adopt either stacking or herringbone (or T-shaped) geometries as observed for simple aromatic hydrocarbons. Polymorph 1A has a 1D polymeric structure with each HgBr2 tetrahedrally coordinated to a pyridyl moiety of two TPyP molecules. The 1D polymers in 1A are weakly cross-linked through long metal-halide bridges forming a 2D steplike sheet with each sheet stacked to form a continuous open porous structure. The 1D polymers in 1B adopt a T-shaped geometry such that the C-H groups of the pyrrole rings point toward the porphyrin cavity to maximize C-H ··· N or C-H ··· C interactions and the crest of the polymer (pyridyl-HgBr2-pyridyl moiety) interdigitates into the supramolecular cavities to form long, but significant Hg ··· Br interactions. Indeed, the cause of the stacked versus herringbone structures in 1A and 1B can be traced to the different possible secondary interactions between Br and Hg: edge-on in 1A and side-on in 1B. (This is in contrast to the electrostatic interactions leading to face-to-face versus hydrogen bonding in edge-to-face aromatic packing.) Polymorph 1A crystallizes in the triclinic space group P-1 with a=7.3653(9), b=12.920(2), and c=14.320(2) Å, α=72.218(2), β=81.858(3), and γ=79.505(3)°, V=1270.5(3) Å3, Dcalc=2.189 g cm-3, Z=1, and R=0.0672. Polymorph 1B is monoclinic, P21/c with a=15.2397(2), b=30.4642(5), and c=11.2657(1) Å, β=93.212(1)°, V=5222.06(12) Å3, Dcalc=2.131 g cm-3, Z=4, and R=0.0929.

  7. Determination of Base Binding Strength and Base Stacking Interaction of DNA Duplex Using Atomic Force Microscope

    PubMed Central

    Zhang, Tian-biao; Zhang, Chang-lin; Dong, Zai-li; Guan, Yi-fu

    2015-01-01

    As one of the most crucial properties of DNA, the structural stability and the mechanical strength are attracting a great attention. Here, we take advantage of high force resolution and high special resolution of Atom Force Microscope and investigate the mechanical force of DNA duplexes. To evaluate the base pair hydrogen bond strength and base stacking force in DNA strands, we designed two modes (unzipping and stretching) for the measurement rupture forces. Employing k-means clustering algorithm, the ruptured force are clustered and the mean values are estimated. We assessed the influence of experimental parameters and performed the force evaluation for DNA duplexes of pure dG/dC and dA/dT base pairs. The base binding strength of single dG/dC and single dA/dT were estimated to be 20.0 ± 0.2?pN and 14.0 ± 0.3?pN, respectively, and the base stacking interaction was estimated to be 2.0 ± 0.1?pN. Our results provide valuable information about the quantitative evaluation of the mechanical properties of the DNA duplexes. PMID:25772017

  8. Atomic-Scale Study of Dislocation-Stacking Fault Tetrahedron Interactions. Part I: Mechanisms.

    SciTech Connect

    Osetskiy, Yury N; Rodney, David; Bacon, David J

    2006-01-01

    Stacking fault tetrahedra (SFTs) are formed under irradiation in fcc metals and alloys. The high number density of SFTs observed suggests that they should contribute to radiation-induced hardening and, therefore, be taken into account when estimating mechanical property changes of irradiated materials. The key issue in this is to describe the interaction between a moving dislocation and an individual SFT, which is distinguished by a small physical size of the order of {approx}1-10 nm. We have performed atomistic simulations of edge and screw dislocations interacting with SFTs of different sizes at different temperatures and strain rates. Five possible interaction outcomes have been identified, involving either partial absorption, or shearing or restoration of SFTs. The mechanisms that give rise to these processes are described and their dependence on interaction parameters, such as SFT size, dislocation-SFT geometry, temperature and stress/strain rate are determined. Mechanisms that help to explain the formation of defect-free channels cleared by gliding dislocations, as observed experimentally, are also discussed. Hardening due to the various mechanisms and their dependence on loading conditions will be presented in a following paper (Part II).

  9. Pyrene-modified PNAs: Stacking interactions and selective excimer emission in PNA2DNA triplexes

    PubMed Central

    Guidi, Lucia; Ghidini, Alice

    2014-01-01

    Summary Pyrene derivatives can be incorporated into nucleic acid analogs in order to obtain switchable probes or supramolecular architectures. In this paper, peptide nucleic acids (PNAs) containing 1 to 3 1-pyreneacetic acid units (PNA1–6) with a sequence with prevalence of pyrimidine bases, complementary to cystic fibrosis W1282X point mutation were synthesized. These compounds showed sequence-selective switch-on of pyrene excimer emission in the presence of target DNA, due to PNA2DNA triplex formation, with stability depending on the number and positioning of the pyrene units along the chain. An increase in triplex stability and a very high mismatch-selectivity, derived from combined stacking and base-pairing interactions, were found for PNA2, bearing two distant pyrene units. PMID:25161706

  10. Halogen, hydrogen and electrostatic interactions in 2-amino-5-chloro-1,3-benzoxazol-3-ium nitrate and 2-amino-5-chloro-1,3-benzoxazol-3-ium perchlorate.

    PubMed

    Kruszynski, Rafal; Trzesowska-Kruszynska, Agata

    2010-09-01

    In the title compounds, C(7)H(6)ClN(2)O(+).NO(3)(-) and C(7)H(6)ClN(2)O(+).ClO(4)(-), the ions are connected by N-H...O hydrogen bonds and halogen interactions. Additionally, in the first compound, co-operative pi-pi stacking and halogen...pi interactions are observed. The energies of the observed interactions range from a value typical for very weak interactions (1.80 kJ mol(-1)) to one typical for mildly strong interactions (53.01 kJ mol(-1)). The iminium cations exist in an equilibrium form intermediate between exo- and endocyclic. This study provides structural insights relevant to the biochemical activity of 2-amino-5-chloro-1,3-benzoxazole compounds. PMID:20814104

  11. Adjustment of Perdew-Wang Exchange Functional for Describing van der Waals and DNA Base-Stacking Interactions

    SciTech Connect

    Kurita, Noriyuki; Inoue, Hidekazu; Sekino, Hideo

    2003-03-07

    In order to accurately describe the van der Waals interaction between rare-gas atoms by the density functional theory, we adjusted the exchange-functional developed by Perdew and Wang (PW). The van der Waals interactions of He, Ne, Ar and Kr dimers were investigated. The results clarified that the adjustment improves the overestimation of the interactions by the original PW exchange-functional, providing the qualitatively accurate trend in van der Waals interactions of He, Ne, Ar and Kr dimers. However, we also found that the adjusted functional for He and Ne underestimates the DNA base-stacking interaction between cytosine monomers. This may indicate that the PW exchange-functional requires a further modification or a van der Waals correction in order to give accurate DNA base-stacking interaction.

  12. Hybrid simulation approach incorporating microscopic interaction along with rigid body degrees of freedom for stacking between base pairs.

    PubMed

    Mondal, Manas; Halder, Sukanya; Chakrabarti, Jaydeb; Bhattacharyya, Dhananjay

    2016-04-01

    Stacking interaction between the aromatic heterocyclic bases plays an important role in the double helical structures of nucleic acids. Considering the base as rigid body, there are total of 18 degrees of freedom of a dinucleotide step. Some of these parameters show sequence preferences, indicating that the detailed atomic interactions are important in the stacking. Large variants of non-canonical base pairs have been seen in the crystallographic structures of RNA. However, their stacking preferences are not thoroughly deciphered yet from experimental results. The current theoretical approaches use either the rigid body degrees of freedom where the atomic information are lost or computationally expensive all atom simulations. We have used a hybrid simulation approach incorporating Monte-Carlo Metropolis sampling in the hyperspace of 18 stacking parameters where the interaction energies using AMBER-parm99bsc0 and CHARMM-36 force-fields were calculated from atomic positions. We have also performed stacking energy calculations for structures from Monte-Carlo ensemble by Dispersion corrected density functional theory. The available experimental data with Watson-Crick base pairs are compared to establish the validity of the method. Stacking interaction involving A:U and G:C base pairs with non-canonical G:U base pairs also were calculated and showed that these structures were also sequence dependent. This approach could be useful to generate multiscale modeling of nucleic acids in terms of coarse-grained parameters where the atomic interactions are preserved. This method would also be useful to predict structure and dynamics of different base pair steps containing non Watson-Crick base pairs, as found often in the non-coding RNA structures. © 2015 Wiley Periodicals, Inc. Biopolymers 105: 212-226, 2016. PMID:26600167

  13. Weak interactions in barbituric acid derivatives. Unusually steady intermolecular organic “sandwich” complexes. ? ? Stacking versus hydrogen bonding interactions

    NASA Astrophysics Data System (ADS)

    Khrustalev, Victor N.; Krasnov, Konstantin A.; Timofeeva, Tatiana V.

    2008-04-01

    The 4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5- g]isoquinolin-6-ium ( 1) and 2-(1 H-indol-3-yl)-1-ethanaminium (tryptaminium) ( 2) salts of 1,3-dimethyl-2,4,6-trioxoperhydro-pyrimidine-5-spiro-6'-{4'-methoxy-7'-(1,3-dimethyl-2,4,6-trioxoper-hydropyrimidin-5-yl)-5',6',7',8'-tetrahydro[1,3]dioxolo[4,5- g]naphthalene} ( 3) have been prepared and their structures have been investigated by single-crystal X-ray diffraction analysis. It has been found on the basis of the crystal packing arrangement as well as physical and chemical properties that derivatives 1 and 2 form unusually steady intermolecular sandwich-like complexes both in the crystal and in solution, which are stabilized by weak C sbnd H… n(O dbnd C) hydrogen bonds and ?-? stacking. The interplay between the intermolecular ?-? stacking and strong N sbnd H…O hydrogen bond interactions and its influence on the "sandwich" structures of 1 and 2 are discussed.

  14. Measurement of gamma in B-+ to D(*) K-+ and B-+ to D K*-+ Decays with a Dalitz Analysis of D to Ks pi- pi+

    SciTech Connect

    Aubert, B.; Barate, R.; Boutigny, D.; Couderc, F.; Karyotakis, Y.; Lees, J.P.; Poireau, V.; Tisserand, V.; Zghiche, A.; Grauges, E.; Palano, A.; Pappagallo, M.; Pompili, A.; Chen, J.C.; Qi, N.D.; Rong, G.; Wang, P.; Zhu, Y.S.; Eigen, G.; Ofte, I.; Stugu, B. /Bergen U. /LBL, Berkeley /UC, Berkeley /Birmingham U. /Ruhr U., Bochum /Bristol U. /British Columbia U. /Brunel U. /Novosibirsk, IYF /UC, Irvine /UCLA /UC, Riverside /UC, San Diego /UC, Santa Barbara /UC, Santa Cruz /Caltech /Cincinnati U. /Colorado U. /Colorado State U. /Dortmund U. /Dresden, Tech. U. /Ecole Polytechnique /Edinburgh U. /Ferrara U. /INFN, Ferrara /Frascati /Genoa U. /INFN, Genoa /Harvard U. /Heidelberg U. /Imperial Coll., London /Iowa U. /Iowa State U. /Orsay, LAL /LLNL, Livermore /Liverpool U. /Queen Mary, U. of London /Royal Holloway, U. of London /Louisville U. /Manchester U. /Maryland U. /Massachusetts U., Amherst /MIT, LNS /McGill U. /Milan U. /INFN, Milan /Mississippi U. /Montreal U. /Mt. Holyoke Coll. /Naples U. /INFN, Naples /NIKHEF, Amsterdam /Notre Dame U. /Ohio State U. /Oregon U. /INFN, Padua /Padua U. /Paris U., VI-VII /Pennsylvania U. /Perugia U. /INFN, Perugia /Pisa U. /Pisa, Scuola Normale Superiore /INFN, Pisa /Prairie View A-M /Princeton U. /Rome U. /INFN, Rome /Rostock U. /Rutherford /DAPNIA, Saclay /South Carolina U. /SLAC /Stanford U., Phys. Dept. /SUNY, Albany /Tennessee U. /Texas U. /Texas U., Dallas /Turin U. /INFN, Turin /Trieste U. /INFN, Trieste /Valencia U., IFIC /Vanderbilt U. /Victoria U. /Warwick U. /Wisconsin U., Madison /Yale U.

    2005-08-04

    We present a measurement of the Cabibbo-Kobayashi-Maskawa CP-violating phase {gamma} with a Dalitz plot analysis of neutral D-meson decays to the K{sub S}{sup 0} {pi}{sup -}{pi}{sup +} final state from B{sup {-+}} {yields} D{sup (*)}K{sup {-+}} and B{sup {-+}} {yields} DK*{sup {-+}} decays, using a sample of 227 million B{bar B} pairs collected by the BABAR detector. We measure {gamma} = (67 {+-} 28 {+-} 13 {+-} 11){sup o}, where the first error is statistical, the second is the experimental systematic uncertainty and the third reflects the Dalitz model uncertainty. This result suffers from a two-fold ambiguity. The contribution to the Dalitz model uncertainty due to the description of the {pi}{pi} S-wave in D{sup 0} {yields} K{sub S}{sup 0}{pi}{sup -}{pi}{sup +}, evaluated using a K-matrix formalism, is found to be 3{sup o}.

  15. The Search for Exotic Mesons in {gamma}p{yields}{pi}{sup +{pi}+{pi}-}n with CLAS at Jefferson Lab

    SciTech Connect

    Bookwalter, Craig

    2010-08-05

    In addition to ordinary qq-bar pairs, quantum chromodynamics (QCD) permits many other possibilities in meson spectra, such as gluonic hybrids, glueballs, and tetraquarks. Experimental discovery and study of these exotic states provides insight on the nonperturbative regime of QCD. Over the past twenty years, some searches for exotic mesons have met with controversial results, especially those obtained in the three-pion system. Prior theoretical work indicates that in photoproduction one should find gluonic hybrids at significantly enhanced levels compared to that found in pion production. To that end, the CLAS g12 run was recently completed at Jefferson Lab, using a liquid hydrogen target and tagged photons from a 5.71 GeV electron beam. The CLAS experimental apparatus was modified to maximize forward acceptance for peripheral production of mesons. The resulting data contains the world's largest 3{pi} photoproduction dataset, with {gamma}p{yields}{pi}{sup +{pi}+{pi}-}n events numbering in the millions. Early results describing the data quality, kinematics, and dysnamics will be shown.

  16. Measurement of the Cabibbo-Kobayashi-Maskawa angle gamma in B+/--->D*K+/- decays with a Dalitz analysis of D-->K0(S)pi-pi+.

    PubMed

    Aubert, B; Barate, R; Boutigny, D; Couderc, F; Karyotakis, Y; Lees, J P; Poireau, V; Tisserand, V; Zghiche, A; Grauges, E; Palano, A; Pappagallo, M; Pompili, A; Chen, J C; Qi, N D; Rong, G; Wang, P; Zhu, Y S; Eigen, G; Ofte, I; Stugu, B; Abrams, G S; Battaglia, M; Borgland, A W; Breon, A B; Brown, D N; Button-Shafer, J; Cahn, R N; Charles, E; Day, C T; Gill, M S; Gritsan, A V; Groysman, Y; Jacobsen, R G; Kadel, R W; Kadyk, J; Kerth, L T; Kolomensky, Yu G; Kukartsev, G; Lynch, G; Mir, L M; Oddone, P J; Orimoto, T J; Pripstein, M; Roe, N A; Ronan, M T; Wenzel, W A; Barrett, M; Ford, K E; Harrison, T J; Hart, A J; Hawkes, C M; Morgan, S E; Watson, A T; Fritsch, M; Goetzen, K; Held, T; Koch, H; Lewandowski, B; Pelizaeus, M; Peters, K; Schroeder, T; Steinke, M; Boyd, J T; Burke, J P; Chevalier, N; Cottingham, W N; Kelly, M P; Cuhadar-Donszelmann, T; Hearty, C; Knecht, N S; Mattison, T S; McKenna, J A; Khan, A; Kyberd, P; Teodorescu, L; Blinov, A E; Blinov, V E; Bukin, A D; Druzhinin, V P; Golubev, V B; Ivanchenko, V N; Kravchenko, E A; Onuchin, A P; Serednyakov, S I; Skovpen, Yu I; Solodov, E P; Yushkov, A N; Best, D; Bondioli, M; Bruinsma, M; Chao, M; Eschrich, I; Kirkby, D; Lankford, A J; Mandelkern, M; Mommsen, R K; Roethel, W; Stoker, D P; Buchanan, C; Hartfiel, B L; Weinstein, A J R; Foulkes, S D; Gary, J W; Long, O; Shen, B C; Wang, K; Zhang, L; Del Re, D; Hadavand, H K; Hill, E J; Macfarlane, D B; Paar, H P; Rahatlou, S; Sharma, V; Berryhill, J W; Campagnari, C; Cunha, A; Dahmes, B; Hong, T M; Lu, A; Mazur, M A; Richman, J D; Verkerke, W; Beck, T W; Eisner, A M; Flacco, C J; Heusch, C A; Kroseberg, J; Lockman, W S; Nesom, G; Schalk, T; Schumm, B A; Seiden, A; Spradlin, P; Williams, D C; Wilson, M G; Albert, J; Chen, E; Dubois-Felsmann, G P; Dvoretskii, A; Hitlin, D G; Narsky, I; Piatenko, T; Porter, F C; Ryd, A; Samuel, A; Andreassen, R; Jayatilleke, S; Mancinelli, G; Meadows, B T; Sokoloff, M D; Blanc, F; Bloom, P; Chen, S; Ford, W T; Nauenberg, U; Olivas, A; Rankin, P; Ruddick, W O; Smith, J G; Ulmer, K A; Wagner, S R; Zhang, J; Chen, A; Eckhart, E A; Harton, J L; Soffer, A; Toki, W H; Wilson, R J; Zeng, Q; Spaan, B; Altenburg, D; Brandt, T; Brose, J; Dickopp, M; Feltresi, E; Hauke, A; Klose, V; Lacker, H M; Maly, E; Nogowski, R; Otto, S; Petzold, A; Schott, G; Schubert, J; Schubert, K R; Schwierz, R; Sundermann, J E; Bernard, D; Bonneaud, G R; Grenier, P; Schrenk, S; Thiebaux, Ch; Vasileiadis, G; Verderi, M; Bard, D J; Clark, P J; Gradl, W; Muheim, F; Playfer, S; Xie, Y; Andreotti, M; Azzolini, V; Bettoni, D; Bozzi, C; Calabrese, R; Cibinetto, G; Luppi, E; Negrini, M; Piemontese, L; Anulli, F; Baldini-Ferroli, R; Calcaterra, A; de Sangro, R; Finocchiaro, G; Patteri, P; Peruzzi, I M; Piccolo, M; Zallo, A; Buzzo, A; Capra, R; Contri, R; Lo Vetere, M; Macri, M; Monge, M R; Passaggio, S; Patrignani, C; Robutti, E; Santroni, A; Tosi, S; Bailey, S; Brandenburg, G; Chaisanguanthum, K S; Morii, M; Won, E; Dubitzky, R S; Langenegger, U; Marks, J; Schenk, S; Uwer, U; Bhimji, W; Bowerman, D A; Dauncey, P D; Egede, U; Flack, R L; Gaillard, J R; Morton, G W; Nash, J A; Nikolich, M B; Taylor, G P; Charles, M J; Grenier, G J; Mallik, U; Mohapatra, A K; Cochran, J; Crawley, H B; Eyges, V; Meyer, W T; Prell, S; Rosenberg, E I; Rubin, A E; Yi, J; Arnaud, N; Davier, M; Giroux, X; Grosdidier, G; Höcker, A; Le Diberder, F; Lepeltier, V; Lutz, A M; Oyanguren, A; Petersen, T C; Pierini, M; Plaszczynski, S; Rodier, S; Roudeau, P; Schune, M H; Stocchi, A; Wormser, G; Cheng, C H; Lange, D J; Simani, M C; Wright, D M; Bevan, A J; Chavez, C A; Coleman, J P; Forster, I J; Fry, J R; Gabathuler, E; Gamet, R; George, K A; Hutchcroft, D E; Parry, R J; Payne, D J; Touramanis, C; Cormack, C M; Di Lodovico, F; Brown, C L; Cowan, G; Flaecher, H U; Green, M G; Jackson, P S; McMahon, T R; Ricciardi, S; Salvatore, F; Brown, D; Davis, C L; Allison, J; Barlow, N R; Barlow, R J; Hodgkinson, M C; Lafferty, G D; Naisbit, M T; Williams, J C; Chen, C; Farbin, A; Hulsbergen, W D; Jawahery, A; Kovalskyi, D; Lae, C K; Lillard, V; Roberts, D A; Blaylock, G; Dallapiccola, C; Hertzbach, S S; Kofler, R; Koptchev, V B; Li, X; Moore, T B; Saremi, S; Staengle, H; Willocq, S; Cowan, R; Koeneke, K; Sciolla, G; Sekula, S J; Taylor, F; Yamamoto, R K; Kim, H; Patel, P M; Robertson, S H; Lazzaro, A; Lombardo, V; Palombo, F; Bauer, J M; Cremaldi, L; Eschenburg, V; Godang, R; Kroeger, R; Reidy, J; Sanders, D A; Summers, D J; Zhao, H W; Brunet, S; Côté, D; Taras, P; Viaud, B; Nicholson, H; Cavallo, N; De Nardo, G; Fabozzi, F; Gatto, C; Lista, L; Monorchio, D; Paolucci, P; Piccolo, D; Sciacca, C; Baak, M; Bulten, H; Raven, G; Snoek, H L; Wilden, L; Jessop, C P; Losecco, J M; Allmendinger, T; Benelli, G; Gan, K K; Honscheid, K; Hufnagel, D; Jackson, P D; Kagan, H; Kass, R; Pulliam, T; Rahimi, A M; Ter-Antonyan, R; Wong, Q K; Brau, J; Frey, R; Igonkina, O; Lu, M; Potter, C T; Sinev, N B; Strom, D; Torrence, E; Colecchia, F; Dorigo, A; Galeazzi, F; Margoni, M; Morandin, M; Posocco, M; Rotondo, M; Simonetto, F; Stroili, R; Voci, C; Benayoun, M; Briand, H; Chauveau, J; David, P; Del Buono, L; de la Vaissière, Ch; Hamon, O; John, M J J; Leruste, Ph; Malclès, J; Ocariz, J; Roos, L; Therin, G; Behera, P K; Gladney, L; Guo, Q H; Panetta, J; Biasini, M; Covarelli, R; Pacetti, S; Pioppi, M; Angelini, C; Batignani, G; Bettarini, S; Bucci, F; Calderini, G; Carpinelli, M; Forti, F; Giorgi, M A; Lusiani, A; Marchiori, G; Morganti, M; Neri, N; Paoloni, E; Rama, M; Rizzo, G; Simi, G; Walsh, J; Haire, M; Judd, D; Paick, K; Wagoner, D E; Biesiada, J; Danielson, N; Elmer, P; Lau, Y P; Lu, C; Olsen, J; Smith, A J S; Telnov, A V; Bellini, F; Cavoto, G; D'Orazio, A; Di Marco, E; Faccini, R; Ferrarotto, F; Ferroni, F; Li Gioi, L; Mazzoni, M A; Morganti, S; Piredda, G; Polci, F; Safai Tehrani, F; Voena, C; Christ, S; Schröder, H; Wagner, G; Waldi, R; Adye, T; De Groot, N; Franek, B; Gopal, G P; Olaiya, E O; Wilson, F F; Aleksan, R; Emery, S; Gaidot, A; Ganzhur, S F; Giraud, P-F; Graziani, G; Hamel de Monchenault, G; Kozanecki, W; Legendre, M; London, G W; Mayer, B; Vasseur, G; Yèche, Ch; Zito, M; Purohit, M V; Weidemann, A W; Wilson, J R; Yumiceva, F X; Abe, T; Allen, M T; Aston, D; Bartoldus, R; Berger, N; Boyarski, A M; Buchmueller, O L; Claus, R; Convery, M R; Cristinziani, M; Dingfelder, J C; Dong, D; Dorfan, J; Dujmic, D; Dunwoodie, W; Fan, S; Field, R C; Glanzman, T; Gowdy, S J; Hadig, T; Halyo, V; Hast, C; Hryn'ova, T; Innes, W R; Kelsey, M H; Kim, P; Kocian, M L; Leith, D W G S; Libby, J; Luitz, S; Luth, V; Lynch, H L; Marsiske, H; Messner, R; Muller, D R; O'Grady, C P; Ozcan, V E; Perazzo, A; Perl, M; Ratcliff, B N; Roodman, A; Salnikov, A A; Schindler, R H; Schwiening, J; Snyder, A; Stelzer, J; Strube, J; Su, D; Sullivan, M K; Suzuki, K; Thompson, J M; Va'vra, J; Weaver, M; Wisniewski, W J; Wittgen, M; Wright, D H; Yarritu, A K; Yi, K; Young, C C; Burchat, P R; Edwards, A J; Majewski, S A; Petersen, B A; Roat, C; Ahmed, M; Ahmed, S; Alam, M S; Ernst, J A; Saeed, M A; Saleem, M; Wappler, F R; Zain, S B; Bugg, W; Krishnamurthy, M; Spanier, S M; Eckmann, R; Ritchie, J L; Satpathy, A; Schwitters, R F; Izen, J M; Kitayama, I; Lou, X C; Ye, S; Bianchi, F; Bona, M; Gallo, F; Gamba, D; Bomben, M; Bosisio, L; Cartaro, C; Cossutti, F; Della Ricca, G; Dittongo, S; Grancagnolo, S; Lanceri, L; Poropat, P; Vitale, L; Vuagnin, G; Martinez-Vidal, F; Panvini, R S; Banerjee, Sw; Bhuyan, B; Brown, C M; Fortin, D; Hamano, K; Kowalewski, R; Roney, J M; Sobie, R J; Back, J J; Harrison, P F; Latham, T E; Mohanty, G B; Band, H R; Chen, X; Cheng, B; Dasu, S; Datta, M; Eichenbaum, A M; Flood, K T; Graham, M; Hollar, J J; Johnson, J R; Kutter, P E; Li, H; Liu, R; Mellado, B; Mihalyi, A; Pan, Y; Prepost, R; Tan, P; von Wimmersperg-Toeller, J H; Wu, J; Wu, S L; Yu, Z; Greene, M G; Neal, H

    2005-09-16

    We report on a measurement of the Cabibbo-Kobayashi-Maskawa CP-violating phase gamma through a Dalitz analysis of neutral D decays to K0(S)pi-pi+ in the processes B+/- -->D*K+/-, D*-->Dpi0, Dgamma. Using a sample of 227 x 10(6) BB pairs collected by the BABAR detector, we measure the amplitude ratios r(B)=0.12+/-0.03+/-0.04 and r*(B)=0.17+/-0.10+/-0.03+/-0.03, the relative strong phases delta(B)=(104+/-45(+17+16)(-21-24))degrees and delta*(B)=(-64+/-41(+14)(-12)+/-15) degrees between the amplitudes A(B- -->D*0K-) and A(B- -->D*0)K-), and gamma=(70+/-31(+12+14)(-10-11))degrees. The first error is statistical, the second is the experimental systematic uncertainty, and the third reflects the Dalitz model uncertainty. The results for the strong and weak phases have a twofold ambiguity. PMID:16197065

  17. CDF Grid computing and the decay X(3872) ---> J/psi pi+ pi- with J/psi ---> e+ e-

    SciTech Connect

    Kerzel, Ulrich; /Karlsruhe U., EKP

    2005-11-01

    The main aim of physics research is to obtain a consistent description of nature leading to a detailed understanding of the phenomena observed in experiments. The field of particle physics focuses on the discovery and understanding of the fundamental particles and the forces by which they interact with each other. Using methods from group theory, the present knowledge can be mathematically described by the so-called ''Standard Model'', which interprets the fundamental particles (quarks and leptons) as quantum-mechanical fields interacting via the electromagnetic, weak and strong force. These interactions are mediated via gauge particles such as the photon (for the electromagnetic force), W{sup {+-}} and Z{sup 0} (for the weak force) and gluons (for the strong force). Gravitation is not yet included in this description as it presently cannot be formulated in a way to be incorporated in the Standard Model. However, the gravitational force is negligibly small on microscopic levels. The validity of this mathematical approach is tested experimentally by accelerating particles such as electrons and protons, as well as their antiparticles, to high energies and observing the reactions as these particles collide using sophisticated detectors. Due to the high energy of the particles involved, these detectors need to be as big as a small house to allow for precision measurements. Comparing the predictions from theory with the analyzed reactions observed in these collisions, the Standard Model has been established as a well-founded theory. Precision measurements from the four experiments (Aleph, Delphi, Opal, L3) the Large Electron Positron collider (LEP), operated at CERN during the years 1989-2000, allow the determination of the Standard Model parameters with enormous accuracy.

  18. Theoretical investigation of the coupling between hydrogen-atom transfer and stacking interaction in adenine-thymine dimers.

    PubMed

    Villani, Giovanni

    2013-04-15

    Three different dimers of the adenine-thymine (A-T) base pair are studied to point out the changes of important properties (structure, atomic charge, energy and so on) induced by coupling between the movement of the atoms in the hydrogen bonds and the stacking interaction. The comparison of these results with those for the A-T monomer system explains the role of the stacking interaction in the hydrogen-atom transfer in this biologically important base pair. The results support the idea that this coupling depends on the exact dimer considered and is different for the N-N and N-O hydrogen bonds. In particular, the correlation between the hydrogen transfer and the stacking interaction is more relevant for the N-N bridge than for the N-O one. Also, the two different mechanisms of two-hydrogen transfer (step by step and concerted) can be modified by the stacking interaction between the base pairs. PMID:23494877

  19. NONWATER QUALITY IMPACTS OF CLOSED-CYCLE COOLING SYSTEMS AND THE INTERACTION OF STACK GAS AND COOLING TOWER PLUMES

    EPA Science Inventory

    The report gives results of a literature survey of the nonwater quality impacts of closed-cycle cooling systems. Following discussions of cooling tower and stack gas plumes, interactions of these plumes are considered. For cooling tower plumes, plume types, behavior, salt drift g...

  20. Note: Resonance magnetoelectric interactions in laminate of FeCuNbSiB and multilayer piezoelectric stack for magnetic sensor.

    PubMed

    Li, Jianqiang; Lu, Caijiang; Xu, Changbao; Zhong, Ming

    2015-09-01

    This paper develops a simple miniature magnetoelectric (ME) laminate FeCuNbSiB/PZT-stack made up of magnetostrictive Fe73.5Cu1Nb3Si13.5B9 (FeCuNbSiB) foils and piezoelectric Pb(Zr, Ti)O3 (PZT) multilayer stack vibrator. Resonant ME interactions of FeCuNbSiB/PZT-stack with different layers of FeCuNbSiB foil (L) are investigated in detail. The experimental results show that the ME voltage coefficient reaches maximum value of 141.5 (V/cm Oe) for FeCuNbSiB/PZT-stack with L = 6. The AC-magnetic sensitivities can reach 524.29 mV/Oe and 1.8 mV/Oe under resonance 91.6 kHz and off-resonance 1 kHz, respectively. The FeCuNbSiB/PZT-stack can distinguish small dc-magnetic field of ∼9 nT. The results indicate that the proposed ME composites are very promising for the cheap room-temperature magnetic field sensing technology. PMID:26429496

  1. Note: Resonance magnetoelectric interactions in laminate of FeCuNbSiB and multilayer piezoelectric stack for magnetic sensor

    NASA Astrophysics Data System (ADS)

    Li, Jianqiang; Lu, Caijiang; Xu, Changbao; Zhong, Ming

    2015-09-01

    This paper develops a simple miniature magnetoelectric (ME) laminate FeCuNbSiB/PZT-stack made up of magnetostrictive Fe73.5Cu1Nb3Si13.5B9 (FeCuNbSiB) foils and piezoelectric Pb(Zr, Ti)O3 (PZT) multilayer stack vibrator. Resonant ME interactions of FeCuNbSiB/PZT-stack with different layers of FeCuNbSiB foil (L) are investigated in detail. The experimental results show that the ME voltage coefficient reaches maximum value of 141.5 (V/cm Oe) for FeCuNbSiB/PZT-stack with L = 6. The AC-magnetic sensitivities can reach 524.29 mV/Oe and 1.8 mV/Oe under resonance 91.6 kHz and off-resonance 1 kHz, respectively. The FeCuNbSiB/PZT-stack can distinguish small dc-magnetic field of ˜9 nT. The results indicate that the proposed ME composites are very promising for the cheap room-temperature magnetic field sensing technology.

  2. Dalitz Plot Analysis of B+- --> pi+-pi+-pi-+ Decays

    SciTech Connect

    Collaboration, The BABAR; Aubert, B.

    2009-02-23

    The authors present a Dalitz-plot analysis of charmless B{sup {+-}} decays to the final state {pi}{sup {+-}}{pi}{sup {+-}}{pi}{sup {-+}} using a sample of (465 {+-} 5) x 10{sup 6} B{bar B} pairs collected by the BABAR experiment at {radical}s = 10.58 GeV. They measure the branching fractions {Beta}(B{sup {+-}} {yields} {pi}{sup {+-}}{pi}{sup {+-}}{pi}{sup {-+}}) = (15.2 {+-} 0.6 {+-} 1.2 {+-} 0.4) x 10{sup -6}, {Beta}(B{sup {+-}} {yields} {rho}{sup 0}(770){pi}{sup {+-}}) = (8.1 {+-} 0.7 {+-} 1.2{sub -1.1}{sup +0.4}) x 10{sup -6}, {Beta}(B{sup {+-}} {yields} f{sub 2}(1270){pi}{sup {+-}}) = (1.57 {+-} 0.42 {+-} 0.16{sub -0.19}{sup +0.53}) x 10{sup -6}, and {Beta}(B{sup {+-}} {yields} {pi}{sup {+-}}{pi}{sup {+-}}{pi}{sup {-+}} nonresonant) = (5.3 {+-} 0.7 {+-} 0.6{sub -0.5}{sup +1.1}) x 10{sup -6}, where the uncertainties are statistical, systematic, and model-dependent, respectively. Measurements of branching fractions for the modes B{sup {+-}} {yields} {rho}{sup 0}(1450){pi}{sup {+-}} and B{sup {+-}} {yields} f{sub 0}(1370){pi}{sup {+-}} are also presented. They observe no significant direct CP asymmetries for the above modes, and there is no evidence for the decays B{sup {+-}} {yields} f{sub 0}(980){pi}{sup {+-}}, B{sup {+-}} {yields} {chi}{sub c0}{pi}{sup {+-}}, or B{sup {+-}} {yields} {chi}{sub c2}{pi}{sup {+-}}.

  3. An Amplitude Analysis of the Decay B+- -> pi+- pi+- pi-+

    SciTech Connect

    Aubert, B.; Barate, R.; Boutigny, D.; Couderc, F.; Karyotakis, Y.; Lees, J.P.; Poireau, V.; Tisserand, V.; Zghiche, A.; Grauges, E.; Palano, A.; Pappagallo, M.; Pompili, A.; Chen, J.C.; Qi, N.D.; Rong, G.; Wang, P.; Zhu, Y.S.; Eigen, G.; Ofte, I.; Stugu, B. /Bergen U. /LBL, Berkeley /UC, Berkeley /Birmingham U. /Ruhr U., Bochum /Bristol U. /British Columbia U. /Brunel U. /Novosibirsk, IYF /UC, Irvine /UCLA /UC, Riverside /UC, San Diego /UC, Santa Barbara /UC, Santa Cruz /Caltech /Cincinnati U. /Colorado U. /Colorado State U. /Dortmund U. /Dresden, Tech. U. /Ecole Polytechnique /Edinburgh U. /Ferrara U. /INFN, Ferrara /Frascati /Genoa U. /INFN, Genoa /Harvard U. /Heidelberg U. /Imperial Coll., London /Iowa U. /Iowa State U. /Orsay, LAL /LLNL, Livermore /Liverpool U. /Queen Mary, U. of London /Royal Holloway, U. of London /Louisville U. /Manchester U. /Maryland U. /Massachusetts U., Amherst /MIT, LNS /McGill U. /Milan U. /INFN, Milan /Mississippi U. /Montreal U. /Mt. Holyoke Coll. /Naples U. /INFN, Naples /NIKHEF, Amsterdam /Notre Dame U. /Ohio State U. /Oregon U. /Padua U. /INFN, Padua /Paris U., VI-VII /Pennsylvania U. /Perugia U. /INFN, Perugia /Pisa U. /INFN, Pisa /Prairie View A-M /Princeton U. /Rome U. /INFN, Rome /Rostock U. /Rutherford /DAPNIA, Saclay /South Carolina U. /SLAC /Stanford U., Phys. Dept. /SUNY, Stony Brook /Tennessee U. /Texas U. /Texas U., Dallas /Turin U. /INFN, Turin /Trieste U. /INFN, Trieste /Valencia U., IFIC /Vanderbilt U. /Victoria U. /Wisconsin U., Madison /Yale U.

    2005-07-11

    The authors present a Dalitz-plot analysis of charmless B{sup {+-}} decays to the final state {pi}{sup {+-}}{pi}{sup {+-}}{pi}{sup {-+}} using 210 fb{sup -1} of data recorded by the BABAR experiment at {radical}s = 10.58 GeV. We measure the branching fractions {Beta}(B{sup {+-}} {yields} {pi}{sup {+-}}{pi}{sup {+-}}{pi}{sup {-+}}) = (16.2 {+-} 1.2 {+-} 0.9) x 10{sup -6} and {Beta}(B{sup {+-}} {yields} {rho}{sup 0}(770){pi}{sup {+-}}) = (8.8 {+-} 1.0 {+-} 0.6{sub -0.7}{sup +0.1}) x 10{sup -6}. Measurements of branching fractions for the quasi-two-body decays B{sup {+-}} {yields} {rho}{sup 0}(1450){pi}{sup {+-}}, B{sup {+-}} {yields} f{sub 0}(980){pi}{sup {+-}} and B{sup {+-}} f{sub 2}(1270){pi}{sup {+-}} are also presented. They observe no charge asymmetries for the above modes, and there is no evidence for the decays B{sup {+-}} {yields} {chi}{sub c0}{pi}{sup {+-}}, B{sup {+-}} {yields} f{sub 0}(1370){pi}{sup {+-}} and B{sup {+-}} {yields} {sigma}{pi}{sup {+-}}.

  4. Dalitz Plot Analysis of Ds+->pi+pi-pi+

    SciTech Connect

    Aubert, B.; Bona, M.; Karyotakis, Y.; Lees, J.P.; Poireau, V.; Prencipe, E.; Prudent, X.; Tisserand, V.; Garra Tico, J.; Grauges, E.; Lopez, L.; Palano, A.; Pappagallo, M.; Eigen, G.; Stugu, B.; Sun, L.; Abrams, G.S.; Battaglia, M.; Brown, D.N.; Cahn, R.N.; Jacobsen, R.G.; /LBL, Berkeley /UC, Berkeley /Birmingham U. /Ruhr U., Bochum /British Columbia U. /Brunel U. /Novosibirsk, IYF /UC, Irvine /UCLA /UC, Riverside /UC, San Diego /UC, Santa Barbara /UC, Santa Cruz /Caltech /Cincinnati U. /Colorado U. /Colorado State U. /Dortmund U. /Dresden, Tech. U. /Ecole Polytechnique /Edinburgh U. /INFN, Ferrara /Ferrara U. /INFN, Ferrara /INFN, Ferrara /Ferrara U. /INFN, Ferrara /INFN, Ferrara /Ferrara U. /Frascati /INFN, Genoa /INFN, Genoa /Genoa U. /INFN, Genoa /INFN, Genoa /Genoa U. /INFN, Genoa /INFN, Genoa /Genoa U. /INFN, Genoa /INFN, Genoa /Genoa U. /Harvard U. /Heidelberg U. /Humboldt U., Berlin /Imperial Coll., London /Iowa U. /Iowa State U. /Johns Hopkins U. /Orsay, LAL /LLNL, Livermore /Liverpool U. /Queen Mary, U. of London /Royal Holloway, U. of London /Louisville U. /Mainz U., Inst. Kernphys. /Manchester U. /Maryland U. /Massachusetts U., Amherst /MIT, LNS /McGill U. /INFN, Milan /Milan U. /INFN, Milan /INFN, Milan /Milan U. /Mississippi U. /Montreal U. /Mt. Holyoke Coll. /INFN, Naples /Naples U. /INFN, Naples /INFN, Naples /Naples U. /NIKHEF, Amsterdam /Notre Dame U. /Ohio State U. /Oregon U. /INFN, Padua /Padua U. /INFN, Padua /INFN, Padua /Padua U. /Paris U., VI-VII /Pennsylvania U. /INFN, Perugia /Perugia U. /INFN, Pisa /Pisa U. /INFN, Pisa /Pisa, Scuola Normale Superiore /INFN, Pisa /Pisa U. /INFN, Pisa /Princeton U. /INFN, Rome /INFN, Rome /Rome U. /INFN, Rome /INFN, Rome /Rome U. /INFN, Rome /INFN, Rome /Rome U. /INFN, Rome /INFN, Rome /Rome U. /INFN, Rome /Rostock U. /Rutherford /DSM, DAPNIA, Saclay /South Carolina U. /SLAC /Stanford U., Phys. Dept. /SUNY, Albany /Tennessee U. /Texas U. /Texas U., Dallas /INFN, Turin /Turin U. /INFN, Trieste /Trieste U. /Valencia U., IFIC /Victoria U. /Warwick U. /Wisconsin U., Madison

    2009-01-26

    A Dalitz plot analysis of {approx} 13, 000 D{sub s}{sup +} decays to {pi}{sup +}{pi}{sup +}{pi}{sup -} has been performed. A 384 fb{sup -1} data sample, recorded by the BABAR detector at the PEP-II asymmetric-energy e{sup +}e{sup -} storage ring running at center of mass energies near 10.6 GeV, is used. Amplitudes and phases of the intermediate resonances which contribute to this final state are measured. A high precision measurement of the ratio: {Beta}(D{sub s}{sup +} {yields} {pi}{sup +}{pi}{sup +}{pi}{sup -})/{Beta}(D{sub s}{sup +} {yields} K{sup +}K{sup -}{pi}{sup +}) = 0.199 {+-} 0.004 {+-} 0.006 is performed. Using a model independent partial wave analysis the amplitude and phase of the S-wave have been measured.

  5. Effects of nucleobase metalation on frontier molecular orbitals: potential implications for pi-stacking interactions with tryptophan.

    PubMed

    Anzellotti, Atilio I; Bayse, Craig A; Farrell, Nicholas P

    2008-11-17

    Biochemical recognition processes mediated through pi-stacking interactions are a potential target for rational drug synthesis. A combination of electrostatic, hydrophobic, solvation, charge-transfer, induction, and dispersion interactions has been used to account for the three-dimensional arrangements observed in such motifs. A principal example involves the interaction of purine and pyrimidine rings of nucleic acids with aromatic amino-acid residues such as tryptophan, phenylalanine, and tyrosine. Protonation, alkylation, or coordination of a metal ion such as Pd(II) or Pt(II) to a nucleobase strengthens this interaction by lowering the energy of the lowest unoccupied molecular orbital (LUMO) of the modified nucleobase and improving overlap with the highest occupied molecular orbital (HOMO) in N-acetyl tryptophan. The relative energy difference between the frontier orbitals of isolated molecules, obtained using Density Functional Theory (DFT), is explored as a predictive tool for the strength of the pi-stacking interaction of the nucleobase/tryptophan pair. From the optimized structures of these species, evaluation of the donor-acceptor HOMO-LUMO gap (Deltaepsilon d-->a) suggests that this parameter is a promising predictor of pi-stacking strength for the donor-acceptor pairs presented in this study. The analysis correlates well with experimental association constants, measured by fluorescence spectroscopy, of metallated and alkylated nucleobases with tryptophan in comparison to free nucleobases. PMID:18939818

  6. Base-base and deoxyribose-base stacking interactions in B-DNA and Z-DNA: a quantum-chemical study.

    PubMed Central

    Sponer, J; Gabb, H A; Leszczynski, J; Hobza, P

    1997-01-01

    Base-stacking interactions in canonical and crystal B-DNA and in Z-DNA steps are studied using the ab initio quantum-chemical method with inclusion of electron correlation. The stacking energies in canonical B-DNA base-pair steps vary from -9.5 kcal/mol (GG) to -13.2 kcal/mol (GC). The many-body nonadditivity term, although rather small in absolute value, influences the sequence dependence of stacking energy. The base-stacking energies calculated for CGC and a hypothetical TAT sequence in Z-configuration are similar to those in B-DNA. Comparison with older quantum-chemical studies shows that they do not provide even a qualitatively correct description of base stacking. We also evaluate the base-(deoxy)ribose stacking geometry that occurs in Z-DNA and in nucleotides linked by 2',5'-phosphodiester bonds. Although the molecular orbital analysis does not rule out the charge-transfer n-pi* interaction of the sugar 04' with the aromatic base, the base-sugar contact is stabilized by dispersion energy similar to that of stacked bases. The stabilization amounts to almost 4 kcal/mol and is thus comparable to that afforded by normal base-base stacking. This enhancement of the total stacking interaction could contribute to the propensity of short d(CG)n sequences to adopt the Z-conformation. Images FIGURE 2 FIGURE 4 PMID:9199773

  7. The collapse of stacking fault tetrahedra by interactions with gliding dislocations.

    SciTech Connect

    Matsukawa, Yoshitaka; Osetskiy, Yury N; Stocks, George Malcolm; Zinkle, Steven J

    2005-01-01

    The collapse of stacking-fault tetrahedra (SFT) by gliding dislocations was observed in in situ straining experiments in a transmission electron microscope (TEM). A stacking-fault tetrahedron was collapsed by intersection with a gliding perfect dislocation: only the base portion divided by the gliding plane of the dislocation annihilated, while the apex portion remained intact. As a result of analysis on evolution of atom configuration induced by intersection with perfect dislocation in SFT, it was found that an unusual atom configuration inevitably appeared in one of the ledges formed on stacking-fault planes, which is traditionally called I-ledge: the atoms on adjacent (111) planes were overlapping each other. The overlapping configuration provides a strong repulsive force, being a conceivable driving force to induce a chain reaction of atom displacements that collapses the SFT base portion.

  8. The Soil Stack: An Interactive Computer Program Describing Basic Soil Science and Soil Degradation.

    ERIC Educational Resources Information Center

    Cattle, S. R.; And Others

    1995-01-01

    A computer program dealing with numerous aspects of soil degradation has a target audience of high school and university students (16-20 year olds), and is presented in a series of cards grouped together as stacks. Describes use of the software in Australia. (LZ)

  9. Evidence of a broad structure at an invariant mass of 4.32 GeV/c2 in the reaction e+e- --> pi+pi-psi(2S) measured at BABAR.

    PubMed

    Aubert, B; Barate, R; Bona, M; Boutigny, D; Couderc, F; Karyotakis, Y; Lees, J P; Poireau, V; Tisserand, V; Zghiche, A; Grauges, E; Palano, A; Chen, J C; Qi, N D; Rong, G; Wang, P; Zhu, Y S; Eigen, G; Ofte, I; Stugu, B; Abrams, G S; Battaglia, M; Brown, D N; Button-Shafer, J; Cahn, R N; Charles, E; Gill, M S; Groysman, Y; Jacobsen, R G; Kadyk, J A; Kerth, L T; Kolomensky, Yu G; Kukartsev, G; Lynch, G; Mir, L M; Orimoto, T J; Pripstein, M; Roe, N A; Ronan, M T; Wenzel, W A; del Amo Sanchez, P; Barrett, M; Ford, K E; Harrison, T J; Hart, A J; Hawkes, C M; Morgan, S E; Watson, A T; Held, T; Koch, H; Lewandowski, B; Pelizaeus, M; Peters, K; Schroeder, T; Steinke, M; Boyd, J T; Burke, J P; Cottingham, W N; Walker, D; Cuhadar-Donszelmann, T; Fulsom, B G; Hearty, C; Knecht, N S; Mattison, T S; McKenna, J A; Khan, A; Kyberd, P; Saleem, M; Sherwood, D J; Teodorescu, L; Blinov, V E; Bukin, A D; Druzhinin, V P; Golubev, V B; Onuchin, A P; Serednyakov, S I; Skovpen, Yu I; Solodov, E P; Todyshev, K Yu; Best, D S; Bondioli, M; Bruinsma, M; Chao, M; Curry, S; Eschrich, I; Kirkby, D; Lankford, A J; Lund, P; Mandelkern, M; Mommsen, R K; Roethel, W; Stoker, D P; Abachi, S; Buchanan, C; Foulkes, S D; Gary, J W; Long, O; Shen, B C; Wang, K; Zhang, L; Hadavand, H K; Hill, E J; Paar, H P; Rahatlou, S; Sharma, V; Berryhill, J W; Campagnari, C; Cunha, A; Dahmes, B; Hong, T M; Kovalskyi, D; Richman, J D; Beck, T W; Eisner, A M; Flacco, C J; Heusch, C A; Kroseberg, J; Lockman, W S; Nesom, G; Schalk, T; Schumm, B A; Seiden, A; Spradlin, P; Williams, D C; Wilson, M G; Albert, J; Chen, E; Dvoretskii, A; Fang, F; Hitlin, D G; Narsky, I; Piatenko, T; Porter, F C; Ryd, A; Samuel, A; Mancinelli, G; Meadows, B T; Mishra, K; Sokoloff, M D; Blanc, F; Bloom, P C; Chen, S; Ford, W T; Hirschauer, J F; Kreisel, A; Nagel, M; Nauenberg, U; Olivas, A; Ruddick, W O; Smith, J G; Ulmer, K A; Wagner, S R; Zhang, J; Chen, A; Eckhart, E A; Soffer, A; Toki, W H; Wilson, R J; Winklmeier, F; Zeng, Q; Altenburg, D D; Feltresi, E; Hauke, A; Jasper, H; Petzold, A; Spaan, B; Brandt, T; Klose, V; Lacker, H M; Mader, W F; Nogowski, R; Schubert, J; Schubert, K R; Schwierz, R; Sundermann, J E; Volk, A; Bernard, D; Bonneaud, G R; Grenier, P; Latour, E; Thiebaux, Ch; Verderi, M; Clark, P J; Gradl, W; Muheim, F; Playfer, S; Robertson, A I; Xie, Y; Andreotti, M; Bettoni, D; Bozzi, C; Calabrese, R; Cibinetto, G; Luppi, E; Negrini, M; Petrella, A; Piemontese, L; Prencipe, E; Anulli, F; Baldini-Ferroli, R; Calcaterra, A; de Sangro, R; Finocchiaro, G; Pacetti, S; Patteri, P; Peruzzi, I M; Piccolo, M; Rama, M; Zallo, A; Buzzo, A; Capra, R; Contri, R; Lo Vetere, M; Macri, M M; Monge, M R; Passaggio, S; Patrignani, C; Robutti, E; Santroni, A; Tosi, S; Brandenburg, G; Chaisanguanthum, K S; Morii, M; Wu, J; Dubitzky, R S; Marks, J; Schenk, S; Uwer, U; Bard, D J; Bhimji, W; Bowerman, D A; Dauncey, P D; Egede, U; Flack, R L; Nash, J A; Nikolich, M B; Panduro Vazquez, W; Behera, P K; Chai, X; Charles, M J; Mallik, U; Meyer, N T; Ziegler, V; Cochran, J; Crawley, H B; Dong, L; Eyges, V; Meyer, W T; Prell, S; Rosenberg, E I; Rubin, A E; Gritsan, A V; Denig, A G; Fritsch, M; Schott, G; Arnaud, N; Davier, M; Grosdidier, G; Höcker, A; Le Diberder, F; Lepeltier, V; Lutz, A M; Oyanguren, A; Pruvot, S; Rodier, S; Roudeau, P; Schune, M H; Stocchi, A; Wang, W F; Wormser, G; Cheng, C H; Lange, D J; Wright, D M; Chavez, C A; Forster, I J; Fry, J R; Gabathuler, E; Gamet, R; George, K A; Hutchcroft, D E; Payne, D J; Schofield, K C; Touramanis, C; Bevan, A J; Di Lodovico, F; Menges, W; Sacco, R; Cowan, G; Flaecher, H U; Hopkins, D A; Jackson, P S; McMahon, T R; Ricciardi, S; Salvatore, F; Wren, A C; Brown, D N; Davis, C L; Allison, J; Barlow, N R; Barlow, R J; Chia, Y M; Edgar, C L; Lafferty, G D; Naisbit, M T; Williams, J C; Yi, J I; Chen, C; Hulsbergen, W D; Jawahery, A; Lae, C K; Roberts, D A; Simi, G; Blaylock, G; Dallapiccola, C; Hertzbach, S S; Li, X; Moore, T B; Saremi, S; Staengle, H; Cowan, R; Sciolla, G; Sekula, S J; Spitznagel, M; Taylor, F; Yamamoto, R K; Kim, H; McLachlin, S E; Patel, P M; Robertson, S H; Lazzaro, A; Lombardo, V; Palombo, F; Bauer, J M; Cremaldi, L; Eschenburg, V; Godang, R; Kroeger, R; Sanders, D A; Summers, D J; Zhao, H W; Brunet, S; Côté, D; Simard, M; Taras, P; Viaud, F B; Nicholson, H; Cavallo, N; De Nardo, G; Fabozzi, F; Gatto, C; Lista, L; Monorchio, D; Paolucci, P; Piccolo, D; Sciacca, C; Baak, M; Raven, G; Snoek, H L; Jessop, C P; LoSecco, J M; Allmendinger, T; Benelli, G; Gan, K K; Honscheid, K; Hufnagel, D; Jackson, P D; Kagan, H; Kass, R; Rahimi, A M; Ter-Antonyan, R; Wong, Q K; Blount, N L; Brau, J; Frey, R; Igonkina, O; Lu, M; Rahmat, R; Sinev, N B; Strom, D; Strube, J; Torrence, E; Gaz, A; Margoni, M; Morandin, M; Pompili, A; Posocco, M; Rotondo, M; Simonetto, F; Stroili, R; Voci, C; Benayoun, M; Chauveau, J; Briand, H; David, P; Del Buono, L; de la Vaissière, Ch; Hamon, O; Hartfiel, B L; John, M J J; Leruste, Ph; Malclès, J; Ocariz, J; Roos, L; Therin, G; Gladney, L; Panetta, J; Biasini, M; Covarelli, R; Angelini, C; Batignani, G; Bettarini, S; Bucci, F; Calderini, G; Carpinelli, M; Cenci, R; Forti, F; Giorgi, M A; Lusiani, A; Marchiori, G; Mazur, M A; Morganti, M; Neri, N; Rizzo, G; Walsh, J J; Haire, M; Judd, D; Wagoner, D E; Biesiada, J; Danielson, N; Elmer, P; Lau, Y P; Lu, C; Olsen, J; Smith, A J S; Telnov, A V; Bellini, F; Cavoto, G; D'Orazio, A; del Re, D; Di Marco, E; Faccini, R; Ferrarotto, F; Ferroni, F; Gaspero, M; Li Gioi, L; Mazzoni, M A; Morganti, S; Piredda, G; Polci, F; Safai Tehrani, F; Voena, C; Ebert, M; Schröder, H; Waldi, R; Adye, T; De Groot, N; Franek, B; Olaiya, E O; Wilson, F F; Aleksan, R; Emery, S; Gaidot, A; Ganzhur, S F; Hamel de Monchenault, G; Kozanecki, W; Legendre, M; Vasseur, G; Yèche, Ch; Zito, M; Chen, X R; Liu, H; Park, W; Purohit, M V; Wilson, J R; Allen, M T; Aston, D; Bartoldus, R; Bechtle, P; Berger, N; Claus, R; Coleman, J P; Convery, M R; Cristinziani, M; Dingfelder, J C; Dorfan, J; Dubois-Felsmann, G P; Dujmic, D; Dunwoodie, W; Field, R C; Glanzman, T; Gowdy, S J; Graham, M T; Halyo, V; Hast, C; Hryn'ova, T; Innes, W R; Kelsey, M H; Kim, P; Leith, D W G S; Li, S; Luitz, S; Luth, V; Lynch, H L; MacFarlane, D B; Marsiske, H; Messner, R; Muller, D R; O'Grady, C P; Ozcan, V E; Perazzo, A; Perl, M; Pulliam, T; Ratcliff, B N; Roodman, A; Salnikov, A A; Schindler, R H; Schwiening, J; Snyder, A; Stelzer, J; Su, D; Sullivan, M K; Suzuki, K; Swain, S K; Thompson, J M; Va'vra, J; van Bakel, N; Weaver, M; Weinstein, A J R; Wisniewski, W J; Wittgen, M; Wright, D H; Yarritu, A K; Yi, K; Young, C C; Burchat, P R; Edwards, A J; Majewski, S A; Petersen, B A; Roat, C; Wilden, L; Ahmed, S; Alam, M S; Bula, R; Ernst, J A; Jain, V; Pan, B; Saeed, M A; Wappler, F R; Zain, S B; Bugg, W; Krishnamurthy, M; Spanier, S M; Eckmann, R; Ritchie, J L; Satpathy, A; Schilling, C J; Schwitters, R F; Izen, J M; Lou, X C; Ye, S; Bianchi, F; Gallo, F; Gamba, D; Bomben, M; Bosisio, L; Cartaro, C; Cossutti, F; Della Ricca, G; Dittongo, S; Lanceri, L; Vitale, L; Azzolini, V; Martinez-Vidal, F; Banerjee, Sw; Bhuyan, B; Brown, C M; Fortin, D; Hamano, K; Kowalewski, R; Nugent, I M; Roney, J M; Sobie, R J; Back, J J; Harrison, P F; Latham, T E; Mohanty, G B; Pappagallo, M; Band, H R; Chen, X; Cheng, B; Dasu, S; Datta, M; Flood, K T; Hollar, J J; Kutter, P E; Mellado, B; Mihalyi, A; Pan, Y; Pierini, M; Prepost, R; Wu, S L; Yu, Z; Neal, H

    2007-05-25

    We present a measurement of the cross section of the process e(+)e(-)-->pi(+)pi(-)psi(2S) from threshold up to 8 GeV center-of-mass energy using events containing initial-state radiation, produced at the SLAC PEP-II e(+)e(-) storage rings. The study is based on 298 fb(-1) of data recorded with the BABAR detector. A structure is observed in the cross section not far above threshold, near 4.32 GeV. We also investigate the compatibility of this structure with the Y(4260) previously reported by this experiment. PMID:17677767

  10. Energy hyperspace for stacking interaction in AU/AU dinucleotide step: Dispersion-corrected density functional theory study.

    PubMed

    Mukherjee, Sanchita; Kailasam, Senthilkumar; Bansal, Manju; Bhattacharyya, Dhananjay

    2014-01-01

    Double helical structures of DNA and RNA are mostly determined by base pair stacking interactions, which give them the base sequence-directed features, such as small roll values for the purine-pyrimidine steps. Earlier attempts to characterize stacking interactions were mostly restricted to calculations on fiber diffraction geometries or optimized structure using ab initio calculations lacking variation in geometry to comment on rather unusual large roll values observed in AU/AU base pair step in crystal structures of RNA double helices. We have generated stacking energy hyperspace by modeling geometries with variations along the important degrees of freedom, roll, and slide, which were chosen via statistical analysis as maximally sequence dependent. Corresponding energy contours were constructed by several quantum chemical methods including dispersion corrections. This analysis established the most suitable methods for stacked base pair systems despite the limitation imparted by number of atom in a base pair step to employ very high level of theory. All the methods predict negative roll value and near-zero slide to be most favorable for the purine-pyrimidine steps, in agreement with Calladine's steric clash based rule. Successive base pairs in RNA are always linked by sugar-phosphate backbone with C3'-endo sugars and this demands C1'-C1' distance of about 5.4 Å along the chains. Consideration of an energy penalty term for deviation of C1'-C1' distance from the mean value, to the recent DFT-D functionals, specifically ωB97X-D appears to predict reliable energy contour for AU/AU step. Such distance-based penalty improves energy contours for the other purine-pyrimidine sequences also. © 2013 Wiley Periodicals, Inc. Biopolymers 101: 107-120, 2014. PMID:23722519

  11. Measurement of the cross-section sigma(e+e- to upsilon (nS)pi+pi-) vs. sqrt(s) in the region of 10.6 to 11.02 GeV

    NASA Astrophysics Data System (ADS)

    Santel, Daniel

    We report a new measurement of the cross-section sigma(e +e--?Upsilon(nS)pi +pi--) (n = 1,2,3) in the region ? s = 10.63 GeV/c2 to 11.02 /c2 including sixteen 1 fb--1 scan points not previously reported on, six previously reported scan points, and 121 fb--1 at the Upsilon(5S) resonance, all taken with the Belle detector at KEK in Tsukuba, Japan. The shape is compared with that of sigma b=sigma(e+e-- ? bb ? hadrons ), measured using the sixteen 1 fb--1 scan points and sixty-one 50 pb--1 scan points. This analysis supersedes the previous measurement with additional scan and Upsilon(5S) data, by fitting both cross-sections using the same model, and by introducing a model-insensitive correction for the Upsilon(nS)pi +pi-- acceptance. We measure the mass and width of the Upsilon(5S),M5S=10884.4+/-1.4+/-1.6 MeV and Gamma5S=50+/-5+/-nl3 MeV, consistent with the measurements obtained from a concurrent Rb analysis.

  12. Dalitz Plot Analyses of B- to D+ Pi- Pi-, B+ to Pi+ Pi- Pi+ and D(S)+ to Pi+ Pi- Pi+ at BaBar

    SciTech Connect

    Dong, Liaoyuan; /Iowa State U.

    2012-04-10

    We report on the Dalitz plot analyses of B{sup -} {yields} D{sup +}{pi}{sup -}{pi}{sup -}, B{sup +} {yields} {pi}{sup +}{pi}{sup -}{pi}{sup +} and D{sub s}{sup +} {yields} {pi}{sup +}{pi}{sup -}{sup +}. The Dalitz plot method and the most recent BABAR results are discussed.

  13. Catalysis with Gold Complexes Immobilised on Carbon Nanotubes by ?-? Stacking Interactions: Heterogeneous Catalysis versus the Boomerang Effect.

    PubMed

    Vriamont, Charles; Devillers, Michel; Riant, Olivier; Hermans, Sophie

    2013-09-01

    A new pyrene-tagged gold(I) complex has been synthesised and tested as a homogeneous catalyst. First, a simple 1,6-enyne was chosen as a model substrate for cyclisation by using different solvents to optimise the reaction conditions. The non-covalent immobilisation of our pyrene-tagged gold complex onto multi-walled carbon nanotubes through ?-? stacking interactions was then explored to obtain a supported homogeneous catalyst. The heterogenised catalyst and its homogeneous counterpart exhibited similar activity in a range of enyne cyclisation reactions. Bearing in mind that ?-? interactions are affected by temperature and solvent polarity, the reuse and robustness of the supported homogeneous catalyst was tested to explore the scope and limitations of the recyclability of this catalyst. Under the optimised conditions, recyclability was observed by using the concept of the boomerang effect. PMID:23861243

  14. Interaction of small mobile stacking fault tetrahedra with free surfaces, dislocations, and interfaces in Cu and Cu-Nb

    NASA Astrophysics Data System (ADS)

    Martínez, Enrique; Uberuaga, Blas P.; Beyerlein, Irene J.

    2016-02-01

    The presence of stacking fault tetrahedra (SFTs) in face-centered-cubic metals substantially modifies the material response to external loading. These defects are extremely stable with increasing energetic stability as they grow in size. At the sizes visible within a transmission electron microscope, they appear nearly immobile. We have recently shown that these defects might indeed migrate, with defective SFTs exhibiting particularly high mobilities. In this paper, using molecular dynamics, we show how mobile SFTs interact with various types of extended defects, including free surfaces, dislocations, and interfaces in Cu and Cu-Nb systems. We observe a direct relation between the energetics of a single vacancy interacting with each external defect and the propensity for the SFT to be absorbed. Finally, using mesoscale modeling, we show how the fact that SFTs can migrate influences the system evolution and potentially important observables of interest such as the void denuded zones around defect sinks.

  15. Stacking interactions in RNA and DNA: Roll-slide energy hyperspace for ten unique dinucleotide steps.

    PubMed

    Mukherjee, Sanchita; Kailasam, Senthilkumar; Bansal, Manju; Bhattacharyya, Dhananjay

    2015-03-01

    Understanding dinucleotide sequence directed structures of nuleic acids and their variability from experimental observation remained ineffective due to unavailability of statistically meaningful data. We have attempted to understand this from energy scan along twist, roll, and slide degrees of freedom which are mostly dependent on dinucleotide sequence using ab initio density functional theory. We have carried out stacking energy analysis in these dinucleotide parameter phase space for all ten unique dinucleotide steps in DNA and RNA using DFT-D by ωB97X-D/6-31G(2d,2p), which appears to satisfactorily explain conformational preferences for AU/AU step in our recent study. We show that values of roll, slide, and twist of most of the dinucleotide sequences in crystal structures fall in the low energy region. The minimum energy regions with large twist values are associated with the roll and slide values of B-DNA, whereas, smaller twist values correspond to higher stability to RNA and A-DNA like conformations. Incorporation of solvent effect by CPCM method could explain the preference shown by some sequences to occur in B-DNA or A-DNA conformations. Conformational preference of BII sub-state in B-DNA is preferentially displayed mainly by pyrimidine-purine steps and partly by purine-purine steps. The purine-pyrimidine steps show largest effect of 5-methyl group of thymine in stacking energy and the introduction of solvent reduces this effect significantly. These predicted structures and variabilities can explain the effect of sequence on DNA and RNA functionality. PMID:25257334

  16. Van der Waals stacks of few-layer h-AlN with graphene: an ab initio study of structural, interaction and electronic properties

    NASA Astrophysics Data System (ADS)

    dos Santos, Renato B.; de Brito Mota, F.; Rivelino, R.; Kakanakova-Georgieva, A.; Gueorguiev, G. K.

    2016-04-01

    Graphite-like hexagonal AlN (h-AlN) multilayers have been experimentally manifested and theoretically modeled. The development of any functional electronics applications of h-AlN would most certainly require its integration with other layered materials, particularly graphene. Here, by employing vdW-corrected density functional theory calculations, we investigate structure, interaction energy, and electronic properties of van der Waals stacking sequences of few-layer h-AlN with graphene. We find that the presence of a template such as graphene induces enough interlayer charge separation in h-AlN, favoring a graphite-like stacking formation. We also find that the interface dipole, calculated per unit cell of the stacks, tends to increase with the number of stacked layers of h-AlN and graphene.

  17. Van der Waals stacks of few-layer h-AlN with graphene: an ab initio study of structural, interaction and electronic properties.

    PubMed

    Dos Santos, Renato B; Mota, F de Brito; Rivelino, R; Kakanakova-Georgieva, A; Gueorguiev, G K

    2016-04-01

    Graphite-like hexagonal AlN (h-AlN) multilayers have been experimentally manifested and theoretically modeled. The development of any functional electronics applications of h-AlN would most certainly require its integration with other layered materials, particularly graphene. Here, by employing vdW-corrected density functional theory calculations, we investigate structure, interaction energy, and electronic properties of van der Waals stacking sequences of few-layer h-AlN with graphene. We find that the presence of a template such as graphene induces enough interlayer charge separation in h-AlN, favoring a graphite-like stacking formation. We also find that the interface dipole, calculated per unit cell of the stacks, tends to increase with the number of stacked layers of h-AlN and graphene. PMID:26902955

  18. Sacrificial bonds in stacked-cup carbon nanofibers: biomimetic toughening mechanisms for composite systems.

    PubMed

    Palmeri, Marc J; Putz, Karl W; Brinson, L Catherine

    2010-07-27

    Many natural composites, such as nacre or bone, achieve exceptional toughening enhancements through the rupture of noncovalent secondary bonds between chain segments in the organic phase. This "sacrificial bond" rupture dissipates enormous amounts of energy and reveals significant hidden lengths due to unraveling of the highly coiled macromolecules, leaving the structural integrity of their covalent backbones intact to large extensions. In this work, we present the first evidence of similar sacrificial bond mechanisms in the inorganic phase of composites using inexpensive stacked-cup carbon nanofibers (CNF), which are composed of helically coiled graphene sheets with graphitic spacing between adjacent layers. These CNFs are dispersed in a series of high-performance epoxy systems containing trifunctional and tetrafunctional resins, which are traditionally difficult to toughen in light of their highly cross-linked networks. Nonetheless, the addition of only 0.68 wt % CNF yields toughness enhancements of 43-112% for the various blends. Analysis of the relevant toughening mechanisms reveals two heretofore unseen mechanisms using sacrificial bonds that complement the observed crack deflection, rupture, and debonding/pullout that are common to many composite systems. First, embedded nanofibers can splay discretely between adjacent graphitic layers in the side walls; second, crack-bridging nanofibers can unravel continuously. Both of these mechanisms entail the dissipation of the pi-pi interactions between layers in the side walls without compromising the structural integrity of the graphene sheets. Moreover, increases in electrical conductivity of approximately 7-10 orders of magnitude were found, highlighting the multifunctionality of CNFs as reinforcements for the design of tough, inexpensive nanocomposites with improved electrical properties. PMID:20568708

  19. Measurement of cos2beta in B;{0}-->D;{(*)}h;{0} decays with a time-dependent Dalitz plot analysis of D-->K_{s};{0}pi;{+}pi;{-}.

    PubMed

    Aubert, B; Bona, M; Boutigny, D; Karyotakis, Y; Lees, J P; Poireau, V; Prudent, X; Tisserand, V; Zghiche, A; Tico, J Garra; Grauges, E; Lopez, L; Palano, A; Pappagallo, M; Eigen, G; Stugu, B; Sun, L; Abrams, G S; Battaglia, M; Brown, D N; Button-Shafer, J; Cahn, R N; Groysman, Y; Jacobsen, R G; Kadyk, J A; Kerth, L T; Kolomensky, Yu G; Kukartsev, G; Pegna, D Lopes; Lynch, G; Mir, L M; Orimoto, T J; Osipenkov, I L; Ronan, M T; Tackmann, K; Tanabe, T; Wenzel, W A; Del Amo Sanchez, P; Hawkes, C M; Watson, A T; Koch, H; Schroeder, T; Walker, D; Asgeirsson, D J; Cuhadar-Donszelmann, T; Fulsom, B G; Hearty, C; Mattison, T S; McKenna, J A; Khan, A; Saleem, M; Teodorescu, L; Blinov, V E; Bukin, A D; Druzhinin, V P; Golubev, V B; Onuchin, A P; Serednyakov, S I; Skovpen, Yu I; Solodov, E P; Todyshev, K Yu; Bondioli, M; Curry, S; Eschrich, I; Kirkby, D; Lankford, A J; Lund, P; Mandelkern, M; Martin, E C; Stoker, D P; Abachi, S; Buchanan, C; Foulkes, S D; Gary, J W; Liu, F; Long, O; Shen, B C; Vitug, G M; Zhang, L; Paar, H P; Rahatlou, S; Sharma, V; Berryhill, J W; Campagnari, C; Cunha, A; Dahmes, B; Hong, T M; Kovalskyi, D; Richman, J D; Beck, T W; Eisner, A M; Flacco, C J; Heusch, C A; Kroseberg, J; Lockman, W S; Schalk, T; Schumm, B A; Seiden, A; Wilson, M G; Winstrom, L O; Chen, E; Cheng, C H; Fang, F; Hitlin, D G; Narsky, I; Piatenko, T; Porter, F C; Andreassen, R; Mancinelli, G; Meadows, B T; Mishra, K; Sokoloff, M D; Blanc, F; Bloom, P C; Chen, S; Ford, W T; Hirschauer, J F; Kreisel, A; Nagel, M; Nauenberg, U; Olivas, A; Smith, J G; Ulmer, K A; Wagner, S R; Zhang, J; Gabareen, A M; Soffer, A; Toki, W H; Wilson, R J; Winklmeier, F; Altenburg, D D; Feltresi, E; Hauke, A; Jasper, H; Merkel, J; Petzold, A; Spaan, B; Wacker, K; Klose, V; Kobel, M J; Lacker, H M; Mader, W F; Nogowski, R; Schubert, J; Schubert, K R; Schwierz, R; Sundermann, J E; Volk, A; Bernard, D; Bonneaud, G R; Latour, E; Lombardo, V; Thiebaux, Ch; Verderi, M; Clark, P J; Gradl, W; Muheim, F; Playfer, S; Robertson, A I; Watson, J E; Xie, Y; Andreotti, M; Bettoni, D; Bozzi, C; Calabrese, R; Cecchi, A; Cibinetto, G; Franchini, P; Luppi, E; Negrini, M; Petrella, A; Piemontese, L; Prencipe, E; Santoro, V; Anulli, F; Baldini-Ferroli, R; Calcaterra, A; de Sangro, R; Finocchiaro, G; Pacetti, S; Patteri, P; Peruzzi, I M; Piccolo, M; Rama, M; Zallo, A; Buzzo, A; Contri, R; Lo Vetere, M; Macri, M M; Monge, M R; Passaggio, S; Patrignani, C; Robutti, E; Santroni, A; Tosi, S; Chaisanguanthum, K S; Morii, M; Wu, J; Dubitzky, R S; Marks, J; Schenk, S; Uwer, U; Bard, D J; Dauncey, P D; Flack, R L; Nash, J A; Vazquez, W Panduro; Tibbetts, M; Behera, P K; Chai, X; Charles, M J; Mallik, U; Cochran, J; Crawley, H B; Dong, L; Eyges, V; Meyer, W T; Prell, S; Rosenberg, E I; Rubin, A E; Gao, Y Y; Gritsan, A V; Guo, Z J; Lae, C K; Denig, A G; Fritsch, M; Schott, G; Arnaud, N; Béquilleux, J; D'Orazio, A; Davier, M; Grosdidier, G; Höcker, A; Lepeltier, V; Le Diberder, F; Lutz, A M; Pruvot, S; Rodier, S; Roudeau, P; Schune, M H; Serrano, J; Sordini, V; Stocchi, A; Wang, W F; Wormser, G; Lange, D J; Wright, D M; Bingham, I; Chavez, C A; Fry, J R; Gabathuler, E; Gamet, R; Hutchcroft, D E; Payne, D J; Schofield, K C; Touramanis, C; Bevan, A J; George, K A; Di Lodovico, F; Sacco, R; Cowan, G; Flaecher, H U; Hopkins, D A; Paramesvaran, S; Salvatore, F; Wren, A C; Brown, D N; Davis, C L; Allison, J; Bailey, D; Barlow, N R; Barlow, R J; Chia, Y M; Edgar, C L; Lafferty, G D; West, T J; Yi, J I; Anderson, J; Chen, C; Jawahery, A; Roberts, D A; Simi, G; Tuggle, J M; Blaylock, G; Dallapiccola, C; Hertzbach, S S; Li, X; Moore, T B; Salvati, E; Saremi, S; Cowan, R; Dujmic, D; Fisher, P H; Koeneke, K; Sciolla, G; Spitznagel, M; Taylor, F; Yamamoto, R K; Zhao, M; Zheng, Y; McLachlin, S E; Patel, P M; Robertson, S H; Lazzaro, A; Palombo, F; Bauer, J M; Cremaldi, L; Eschenburg, V; Godang, R; Kroeger, R; Sanders, D A; Summers, D J; Zhao, H W; Brunet, S; Côté, D; Simard, M; Taras, P; Viaud, F B; Nicholson, H; De Nardo, G; Fabozzi, F; Lista, L; Monorchio, D; Sciacca, C; Baak, M A; Raven, G; Snoek, H L; Jessop, C P; Knoepfel, K J; Losecco, J M; Benelli, G; Corwin, L A; Honscheid, K; Kagan, H; Kass, R; Morris, J P; Rahimi, A M; Regensburger, J J; Sekula, S J; Wong, Q K; Blount, N L; Brau, J; Frey, R; Igonkina, O; Kolb, J A; Lu, M; Rahmat, R; Sinev, N B; Strom, D; Strube, J; Torrence, E; Gagliardi, N; Gaz, A; Margoni, M; Morandin, M; Pompili, A; Posocco, M; Rotondo, M; Simonetto, F; Stroili, R; Voci, C; Ben-Haim, E; Briand, H; Calderini, G; Chauveau, J; David, P; Del Buono, L; de la Vaissière, Ch; Hamon, O; Leruste, Ph; Malclès, J; Ocariz, J; Perez, A; Prendki, J; Gladney, L; Biasini, M; Covarelli, R; Manoni, E; Angelini, C; Batignani, G; Bettarini, S; Carpinelli, M; Cenci, R; Cervelli, A; Forti, F; Giorgi, M A; Lusiani, A; Marchiori, G; Mazur, M A; Morganti, M; Neri, N

    2007-12-01

    We study the time-dependent Dalitz plot of D-->K_{S};{0}pi;{+}pi;{-} in B;{0}-->D;{(*)}h;{0} decays, where h;{0} is a pi;{0}, eta, eta;{'}, or omega meson and D;{*}-->Dpi;{0}, using a data sample of 383x10;{6} Upsilon(4S)-->BB[over ] decays collected with the BABAR detector. We determine cos2beta=0.42+/-0.49+/-0.09+/-0.13, sin2beta=0.29+/-0.34+/-0.03+/-0.05, and |lambda|=1.01+/-0.08+/-0.02, where the first error is statistical, the second is the experimental systematic uncertainty, and the third, where given, is the Dalitz model uncertainty. Assuming the world average value for sin2beta and |lambda|=1, cos2beta>0 is preferred over cos2beta<0 at 86% confidence level. PMID:18233357

  20. Comprehensive molecular dynamics simulations of the stacking fault tetrahedron interacting with a mixed dislocation at elevated temperature

    NASA Astrophysics Data System (ADS)

    Fan, Haidong; Wang, Qingyuan; Ouyang, Chaojun

    2015-10-01

    The defect-free channels were frequently observed in irradiated materials, i.e. copper, as a result of the stacking fault tetrahedron (SFT) interactions with dislocations. However, the underlying mechanisms for this process are still unclear to date. To address them, a comprehensive study on the interactions between SFTs and mixed dislocations was performed using molecular dynamics simulations. In particular, eight interaction geometries were considered, in terms of the dislocation Burgers vector directions, dislocation gliding directions and intersection positions on SFT. Various interaction outcomes were revealed after dislocation detachment. (1) SFT is fully absorbed through the transformation into Lomer dislocations, and subsequently moves out of free surfaces along the dislocation. (2) SFT is partially absorbed with the absorbed SFT base moving out of free surfaces along the dislocation. (3) SFT is not absorbed but sheared with ledges left on the SFT faces. (4) SFT is unaffected by the mixed dislocation. The current simulations, especially the full SFT absorption, provide important insights into the forming mechanisms of defect-free channels in irradiated materials.

  1. Resistance of bulky DNA lesions to nucleotide excision repair can result from extensive aromatic lesion–base stacking interactions

    PubMed Central

    Reeves, Dara A.; Mu, Hong; Kropachev, Konstantin; Cai, Yuqin; Ding, Shuang; Kolbanovskiy, Alexander; Kolbanovskiy, Marina; Chen, Ying; Krzeminski, Jacek; Amin, Shantu; Patel, Dinshaw J.; Broyde, Suse; Geacintov, Nicholas E.

    2011-01-01

    The molecular basis of resistance to nucleotide excision repair (NER) of certain bulky DNA lesions is poorly understood. To address this issue, we have studied NER in human HeLa cell extracts of two topologically distinct lesions, one derived from benzo[a]pyrene (10R-(+)-cis-anti-B[a]P-N2-dG), and one from the food mutagen 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (C8-dG-PhIP), embedded in either full or ‘deletion’ duplexes (the partner nucleotide opposite the lesion is missing). All lesions adopt base-displaced intercalated conformations. Both full duplexes are thermodynamically destabilized and are excellent substrates of NER. However, the identical 10R-(+)-cis-anti-B[a]P-N2-dG adduct in the deletion duplex dramatically enhances the thermal stability of this duplex, and is completely resistant to NER. Molecular dynamics simulations show that B[a]P lesion-induced distortion/destabilization is compensated by stabilizing aromatic ring system–base stacking interactions. In the C8-dG-PhIP-deletion duplex, the smaller size of the aromatic ring system and the mobile phenyl ring are less stabilizing and yield moderate NER efficiency. Thus, a partner nucleotide opposite the lesion is not an absolute requirement for the successful initiation of NER. Our observations are consistent with the hypothesis that carcinogen–base stacking interactions, which contribute to the local DNA stability, can prevent the successful insertion of an XPC β-hairpin into the duplex and the normal recruitment of other downstream NER factors. PMID:21764772

  2. DNA modeller: an interactive program for modelling stacks of DNA base pairs on a microcomputer.

    PubMed

    Jursa, J

    1994-02-01

    DNA Modeller is a microcomputer program for interactively manipulating up to 20 bp in a DNA double helical arrangement. It calculates the van der Waals and electrostatic energies of base-base interactions using the AMBER potential, minimizes the energy with respect to the pair (buckle, propeller, opening, shear, stretch, stagger) and step (tilt, roll, twist, shift, slide, rise) parameters, calculates lengths of the canonical hydrogen bonds between the complementary bases, and calculates interatomic distances between the successive base pairs. Input/output files are simple lists of the step and pair parameters or lists of the atom specifications (N1, C2, etc.) and their Cartesian coordinates (compatible with the Desktop Molecular Modeller*.mol files). The program is supplied with a readbrk utility which transforms PDB/NDB to the *.mol format readable by DNA Modeller. The DNA crystal structures deposited in the PDB or NDB databases can thus be analyzed, and their bases visualized and interactively manipulated. In addition, DNA Modeller can calculate the base pair and step geometrical parameters and interaction energies. A plotter utility creates wire mono or stereo pictures of the bases. This program is designed for IBM-compatible computers working under DOS or can run as a DOS application under MS Windows 3.x or Merge (SCO Unix DOS emulator). PMID:8193957

  3. Proton nuclear magnetic resonance study on the aromatic amino acid-guanine nucleotide system: effect of base methylation on the stacking interaction with tyrosine and phenylalanine.

    PubMed

    Ishida, T; Ohnishi, K; Doi, M; Inoue, M

    1989-01-01

    The stacking interactions of tyrosine methylester (TyrOMe)-guanosine-5'-monophosphate (GMP), TyrOMe-7-methylguanosine-5'-monophosphate (m7GMP), phenylalanine methylester (PheOMe)-GMP and PheOMe-m7GMP pairs in neutral buffer solution have been studied by proton nuclear magnetic resonance (1H-NMR). The H8 proton signal of GMP showed no noticeable temperature dependence, while the signals of other protons showed usual dependences arising from the ring stacking interaction with aromatic amino acids. The results can be interpreted in terms of the intramolecular C-H ... O hydrogen bonding and ring stacking. Complex formations in 1:1 molar ratio were deduced for all pairs from their Job plots. The association constant for each pair was obtained by analysis of the Scatchard plot. Further, the van't Hoff plot provided thermodynamic parameters of the complex structure. The analyses of these data suggested that albeit the N-quaternization of GMP strengthens the stacking interaction with aromatic amino acid, the bulky methyl group in m7GMP facilitates the dissociation from the amino acid with small environmental change. The possible conformations of GMP and m7GMP in the interaction states are discussed on the basis of the coupling constants. PMID:2720840

  4. Simultaneous observations of aerosol-cloud-albedo interactions with three stacked unmanned aerial vehicles.

    PubMed

    Roberts, G C; Ramana, M V; Corrigan, C; Kim, D; Ramanathan, V

    2008-05-27

    Aerosol impacts on climate change are still poorly understood, in part, because the few observations and methods for detecting their effects are not well established. For the first time, the enhancement in cloud albedo is directly measured on a cloud-by-cloud basis and linked to increasing aerosol concentrations by using multiple autonomous unmanned aerial vehicles to simultaneously observe the cloud microphysics, vertical aerosol distribution, and associated solar radiative fluxes. In the presence of long-range transport of dust and anthropogenic pollution, the trade cumuli have higher droplet concentrations and are on average brighter. Our observations suggest a higher sensitivity of radiative forcing by trade cumuli to increases in cloud droplet concentrations than previously reported owing to a constrained droplet radius such that increases in droplet concentrations also increase cloud liquid water content. This aerosol-cloud forcing efficiency is as much as -60 W m(-2) per 100% percent cloud fraction for a doubling of droplet concentrations and associated increase of liquid water content. Finally, we develop a strategy for detecting aerosol-cloud interactions based on a nondimensional scaling analysis that relates the contribution of single clouds to albedo measurements and illustrates the significance of characterizing cloud morphology in resolving radiometric measurements. This study demonstrates that aerosol-cloud-albedo interactions can be directly observed by simultaneous observations below, in, and above the clouds. PMID:18499803

  5. Simultaneous observations of aerosol–cloud–albedo interactions with three stacked unmanned aerial vehicles

    PubMed Central

    Roberts, G. C.; Ramana, M. V.; Corrigan, C.; Kim, D.; Ramanathan, V.

    2008-01-01

    Aerosol impacts on climate change are still poorly understood, in part, because the few observations and methods for detecting their effects are not well established. For the first time, the enhancement in cloud albedo is directly measured on a cloud-by-cloud basis and linked to increasing aerosol concentrations by using multiple autonomous unmanned aerial vehicles to simultaneously observe the cloud microphysics, vertical aerosol distribution, and associated solar radiative fluxes. In the presence of long-range transport of dust and anthropogenic pollution, the trade cumuli have higher droplet concentrations and are on average brighter. Our observations suggest a higher sensitivity of radiative forcing by trade cumuli to increases in cloud droplet concentrations than previously reported owing to a constrained droplet radius such that increases in droplet concentrations also increase cloud liquid water content. This aerosol-cloud forcing efficiency is as much as −60 W m−2 per 100% percent cloud fraction for a doubling of droplet concentrations and associated increase of liquid water content. Finally, we develop a strategy for detecting aerosol–cloud interactions based on a nondimensional scaling analysis that relates the contribution of single clouds to albedo measurements and illustrates the significance of characterizing cloud morphology in resolving radiometric measurements. This study demonstrates that aerosol–cloud–albedo interactions can be directly observed by simultaneous observations below, in, and above the clouds. PMID:18499803

  6. Application of diffusion Monte Carlo to materials dominated by van der Waals interactions

    SciTech Connect

    Benali, Anouar; Shulenburger, Luke; Romero, Nichols; Kim, Jeongnim; Von Lilienfeld, Anatole

    2014-01-01

    Van der Waals forces are notoriously difficult to account for from first principles. We perform extensive calculation to assess the usefulness and validity of diffusion quantum Monte Carlo when applied to van der Waals forces. We present results for noble gas solids and clusters - archetypical van der Waals dominated assemblies, as well as a relevant pi-pi stacking supramolecular complex: DNA + intercalating anti-cancer drug Ellipticine.

  7. ?-Cooperativity effect on the base stacking interactions in DNA: is there a novel stabilization factor coupled with base pairing H-bonds?

    PubMed

    Karab?y?k, Hande; Sevinçek, Resul; Karab?y?k, Hasan

    2014-08-01

    The results from absolutely localized molecular orbital (ALMO)-energy decomposition analysis (EDA) and ALMO-charge transfer analysis (CTA) at M06-2X/cc-pVTZ level reveal that double-proton transfer (DPT) reactions through base pairing H-bonds have nonignorable effects on the stacking energies of dinucleotide steps, which introduces us to a novel stabilization (or destabilization) factor in the DNA duplex. Thus, intra- and inter-strand base stacking interactions are coalesced with each other mediated by H-bridged quasirings between base pairs. Changes in stacking energies of dinucleotide steps depending on the positions of H atoms are due to variations in local aromaticities of individual nucleobases, manifesting ?-cooperativity effects. CT analyses show that dispersion forces in dinucleotide steps can lead to radical changes in the redox properties of nucleobases, in particular those of adenine and guanine stacked dimers in a strand. Besides Watson-Crick rules, novel base pairing rules were propounded by considering CT results. According to these, additional base pairing through ?-stacks of nucleobases in dinucleotide steps does not cause any intrinsic oxidative damage to the associated nucleobases throughout DPT. PMID:24953339

  8. Light-emitting self-assembled peptide nucleic acids exhibit both stacking interactions and Watson-Crick base pairing

    NASA Astrophysics Data System (ADS)

    Berger, Or; Adler-Abramovich, Lihi; Levy-Sakin, Michal; Grunwald, Assaf; Liebes-Peer, Yael; Bachar, Mor; Buzhansky, Ludmila; Mossou, Estelle; Forsyth, V. Trevor; Schwartz, Tal; Ebenstein, Yuval; Frolow, Felix; Shimon, Linda J. W.; Patolsky, Fernando; Gazit, Ehud

    2015-05-01

    The two main branches of bionanotechnology involve the self-assembly of either peptides or DNA. Peptide scaffolds offer chemical versatility, architectural flexibility and structural complexity, but they lack the precise base pairing and molecular recognition available with nucleic acid assemblies. Here, inspired by the ability of aromatic dipeptides to form ordered nanostructures with unique physical properties, we explore the assembly of peptide nucleic acids (PNAs), which are short DNA mimics that have an amide backbone. All 16 combinations of the very short di-PNA building blocks were synthesized and assayed for their ability to self-associate. Only three guanine-containing di-PNAs—CG, GC and GG—could form ordered assemblies, as observed by electron microscopy, and these di-PNAs efficiently assembled into discrete architectures within a few minutes. The X-ray crystal structure of the GC di-PNA showed the occurrence of both stacking interactions and Watson-Crick base pairing. The assemblies were also found to exhibit optical properties including voltage-dependent electroluminescence and wide-range excitation-dependent fluorescence in the visible region.

  9. Light-emitting self-assembled peptide nucleic acids exhibit both stacking interactions and Watson-Crick base pairing.

    PubMed

    Berger, Or; Adler-Abramovich, Lihi; Levy-Sakin, Michal; Grunwald, Assaf; Liebes-Peer, Yael; Bachar, Mor; Buzhansky, Ludmila; Mossou, Estelle; Forsyth, V Trevor; Schwartz, Tal; Ebenstein, Yuval; Frolow, Felix; Shimon, Linda J W; Patolsky, Fernando; Gazit, Ehud

    2015-04-01

    The two main branches of bionanotechnology involve the self-assembly of either peptides or DNA. Peptide scaffolds offer chemical versatility, architectural flexibility and structural complexity, but they lack the precise base pairing and molecular recognition available with nucleic acid assemblies. Here, inspired by the ability of aromatic dipeptides to form ordered nanostructures with unique physical properties, we explore the assembly of peptide nucleic acids (PNAs), which are short DNA mimics that have an amide backbone. All 16 combinations of the very short di-PNA building blocks were synthesized and assayed for their ability to self-associate. Only three guanine-containing di-PNAs-CG, GC and GG-could form ordered assemblies, as observed by electron microscopy, and these di-PNAs efficiently assembled into discrete architectures within a few minutes. The X-ray crystal structure of the GC di-PNA showed the occurrence of both stacking interactions and Watson-Crick base pairing. The assemblies were also found to exhibit optical properties including voltage-dependent electroluminescence and wide-range excitation-dependent fluorescence in the visible region. PMID:25775151

  10. Branching fractions and CP asymmetries in B0-->pi0pi0, B+-->pi+pi0, and B+-->K+pi0 decays and isospin analysis of the B-->pipi system.

    PubMed

    Aubert, B; Barate, R; Boutigny, D; Couderc, F; Karyotakis, Y; Lees, J P; Poireau, V; Tisserand, V; Zghiche, A; Grauges-Pous, E; Palano, A; Pompili, A; Chen, J C; Qi, N D; Rong, G; Wang, P; Zhu, Y S; Eigen, G; Ofte, I; Stugu, B; Abrams, G S; Borgland, A W; Breon, A B; Brown, D N; Button-Shafer, J; Cahn, R N; Charles, E; Day, C T; Gill, M S; Gritsan, A V; Groysman, Y; Jacobsen, R G; Kadel, R W; Kadyk, J; Kerth, L T; Kolomensky, Yu G; Kukartsev, G; Lynch, G; Mir, L M; Oddone, P J; Orimoto, T J; Pripstein, M; Roe, N A; Ronan, M T; Wenzel, W A; Barrett, M; Ford, K E; Harrison, T J; Hart, A J; Hawkes, C M; Morgan, S E; Watson, A T; Fritsch, M; Goetzen, K; Held, T; Koch, H; Lewandowski, B; Pelizaeus, M; Schroeder, T; Steinke, M; Boyd, J T; Chevalier, N; Cottingham, W N; Kelly, M P; Latham, T E; Wilson, F F; Cuhadar-Donszelmann, T; Hearty, C; Knecht, N S; Mattison, T S; McKenna, J A; Thiessen, D; Khan, A; Kyberd, P; Teodorescu, L; Blinov, A E; Blinov, V E; Druzhinin, V P; Golubev, V B; Ivanchenko, V N; Kravchenko, E A; Onuchin, A P; Serednyakov, S I; Skovpen, Yu I; Solodov, E P; Yushkov, A N; Best, D; Bruinsma, M; Chao, M; Eschrich, I; Kirkby, D; Lankford, A J; Mandelkern, M; Mommsen, R K; Roethel, W; Stoker, D P; Buchanan, C; Hartfiel, B L; Weinstein, A J R; Foulkes, S D; Gary, J W; Long, O; Shen, B C; Wang, K; del Re, D; Hadavand, H K; Hill, E J; MacFarlane, D B; Paar, H P; Rahatlou, Sh; Sharma, V; Berryhill, J W; Campagnari, C; Cunha, A; Dahmes, B; Hong, T M; Lu, A; Mazur, M A; Richman, J D; Verkerke, W; Beck, T W; Eisner, A M; Heusch, C A; Kroseberg, J; Lockman, W S; Nesom, G; Schalk, T; Schumm, B A; Seiden, A; Spradlin, P; Williams, D C; Wilson, M G; Albert, J; Chen, E; Dubois-Felsmann, G P; Dvoretskii, A; Hitlin, D G; Narsky, I; Piatenko, T; Porter, F C; Ryd, A; Samuel, A; Yang, S; Jayatilleke, S; Mancinelli, G; Meadows, B T; Sokoloff, M D; Blanc, F; Bloom, P; Chen, S; Ford, W T; Nauenberg, U; Olivas, A; Rankin, P; Ruddick, W O; Smith, J G; Ulmer, K A; Zhang, J; Zhang, L; Chen, A; Eckhart, E A; Harton, J L; Soffer, A; Toki, W H; Wilson, R J; Zeng, Q; Spaan, B; Altenburg, D; Brandt, T; Brose, J; Dickopp, M; Feltresi, E; Hauke, A; Lacker, H M; Nogowski, R; Otto, S; Petzold, A; Schubert, J; Schubert, K R; Schwierz, R; Sundermann, J E; Bernard, D; Bonneaud, G R; Grenier, P; Schrenk, S; Thiebaux, Ch; Vasileiadis, G; Verderi, M; Bard, D J; Clark, P J; Muheim, F; Playfer, S; Xie, Y; Andreotti, M; Azzolini, V; Bettoni, D; Bozzi, C; Calabrese, R; Cibinetto, G; Luppi, E; Negrini, M; Piemontese, L; Sarti, A; Anulli, F; Baldini-Ferroli, R; Calcaterra, A; de Sangro, R; Finocchiaro, G; Patteri, P; Peruzzi, I M; Piccolo, M; Zallo, A; Buzzo, A; Capra, R; Contri, R; Crosetti, G; Lo Vetere, M; Macri, M; Monge, M R; Passaggio, S; Patrignani, C; Robutti, E; Santroni, A; Tosi, S; Bailey, S; Brandenburg, G; Chaisanguanthum, K S; Morii, M; Won, E; Dubitzky, R S; Langenegger, U; Marks, J; Uwer, U; Bhimji, W; Bowerman, D A; Dauncey, P D; Egede, U; Gaillard, J R; Morton, G W; Nash, J A; Nikolich, M B; Taylor, G P; Charles, M J; Grenier, G J; Mallik, U; Cochran, J; Crawley, H B; Lamsa, J; Meyer, W T; Prell, S; Rosenberg, E I; Rubin, A E; Yi, J; Arnaud, N; Davier, M; Giroux, X; Grosdidier, G; Höcker, A; Le Diberder, F; Lepeltier, V; Lutz, A M; Petersen, T C; Plaszczynski, S; Schune, M H; Wormser, G; Cheng, C H; Lange, D J; Simani, M C; Wright, D M; Bevan, A J; Chavez, C A; Coleman, J P; Forster, I J; Fry, J R; Gabathuler, E; Gamet, R; Hutchcroft, D E; Parry, R J; Payne, D J; Touramanis, C; Cormack, C M; Di Lodovico, F; Brown, C L; Cowan, G; Flack, R L; Flaecher, H U; Green, M G; Jackson, P S; McMahon, T R; Ricciardi, S; Salvatore, F; Winter, M A; Brown, D; Davis, C L; Allison, J; Barlow, N R; Barlow, R J; Hodgkinson, M C; Lafferty, G D; Williams, J C; Chen, C; Farbin, A; Hulsbergen, W D; Jawahery, A; Kovalskyi, D; Lae, C K; Lillard, V; Roberts, D A; Blaylock, G; Dallapiccola, C; Hertzbach, S S; Kofler, R; Koptchev, V B; Moore, T B; Saremi, S; Staengle, H; Willocq, S; Cowan, R; Koeneke, K; Sciolla, G; Sekula, S J; Taylor, F; Yamamoto, R K; Patel, P M; Robertson, S H; Lazzaro, A; Lombardo, V; Palombo, F; Bauer, J M; Cremaldi, L; Eschenburg, V; Godang, R; Kroeger, R; Reidy, J; Sanders, D A; Summers, D J; Zhao, H W; Brunet, S; Côté, D; Taras, P; Nicholson, H; Cavallo, N; Fabozzi, F; Gatto, C; Lista, L; Monorchio, D; Paolucci, P; Piccolo, D; Sciacca, C; Baak, M; Bulten, H; Raven, G; Snoek, H L; Wilden, L; Jessop, C P; LoSecco, J M; Allmendinger, T; Benelli, G; Gan, K K; Honscheid, K; Hufnagel, D; Kagan, H; Kass, R; Pulliam, T; Rahimi, A M; Ter-Antonyan, R; Wong, Q K; Brau, J; Frey, R; Igonkina, O; Lu, M; Potter, C T; Sinev, N B; Strom, D; Torrence, E; Colecchia, F; Dorigo, A; Galeazzi, F; Margoni, M; Morandin, M; Posocco, M; Rotondo, M; Simonetto, F; Stroili, R; Voci, C; Benayoun, M; Briand, H; Chauveau, J; David, P; de la Vaissière, Ch; Del Buono, L; Hamon, O; John, M J J; Leruste, Ph; Malcles, J; Ocariz, J; Roos, L; Therin, G; Behera, P K; Gladney, L; Guo, Q H; Panetta, J; Biasini, M; Covarelli, R; Pioppi, M; Angelini, C; Batignani, G; Bettarini, S; Bondioli, M; Bucci, F; Calderini, G; Carpinelli, M; Forti, F; Giorgi, M A; Lusiani, A; Marchiori, G; Morganti, M; Neri, N; Paoloni, E; Rama, M; Rizzo, G; Simi, G; Walsh, J; Haire, M; Judd, D; Paick, K; Wagoner, D E; Danielson, N; Elmer, P; Lau, Y P; Lu, C; Miftakov, V; Olsen, J; Smith, A J S; Telnov, A V; Bellini, F; Cavoto, G; D'Orazio, A; Di Marco, E; Faccini, R; Ferrarotto, F; Ferroni, F; Gaspero, M; Li Gioi, L; Mazzoni, M A; Morganti, S; Pierini, M; Piredda, G; Polci, F; Safai Tehrani, F; Voena, C; Christ, S; Schröder, H; Wagner, G; Waldi, R; Adye, T; De Groot, N; Franek, B; Gopal, G P; Olaiya, E O; Aleksan, R; Emery, S; Gaidot, A; Ganzhur, S F; Giraud, P-F; Hamel de Monchenault, G; Kozanecki, W; Legendre, M; London, G W; Mayer, B; Schott, G; Vasseur, G; Yèche, Ch; Zito, M; Purohit, M V; Weidemann, A W; Wilson, J R; Yumiceva, F X; Abe, T; Allen, M; Aston, D; Bartoldus, R; Berger, N; Boyarski, A M; Buchmueller, O L; Claus, R; Convery, M R; Cristinziani, M; De Nardo, G; Dingfelder, J C; Dong, D; Dorfan, J; Dujmic, D; Dunwoodie, W; Fan, S; Field, R C; Glanzman, T; Gowdy, S J; Hadig, T; Halyo, V; Hast, C; Hryn'ova, T; Innes, W R; Kelsey, M H; Kim, P; Kocian, M L; Leith, D W G S; Libby, J; Luitz, S; Luth, V; Lynch, H L; Marsiske, H; Messner, R; Muller, D R; O'Grady, C P; Ozcan, V E; Perazzo, A; Perl, M; Ratcliff, B N; Roodman, A; Salnikov, A A; Schindler, R H; Schwiening, J; Snyder, A; Soha, A; Stelzer, J; Strube, J; Su, D; Sullivan, M K; Thompson, J; Va'vra, J; Wagner, S R; Weaver, M; Wisniewski, W J; Wittgen, M; Wright, D H; Yarritu, A K; Young, C C; Burchat, P R; Edwards, A J; Majewski, S A; Petersen, B A; Roat, C; Ahmed, M; Ahmed, S; Alam, M S; Ernst, J A; Saeed, M A; Saleem, M; Wappler, F R; Bugg, W; Krishnamurthy, M; Spanier, S M; Eckmann, R; Kim, H; Ritchie, J L; Satpathy, A; Schwitters, R F; Izen, J M; Kitayama, I; Lou, X C; Ye, S; Bianchi, F; Bona, M; Gallo, F; Gamba, D; Bosisio, L; Cartaro, C; Cossutti, F; Della Ricca, G; Dittongo, S; Grancagnolo, S; Lanceri, L; Poropat, P; Vitale, L; Vuagnin, G; Martinez-Vidal, F; Panvini, R S; Banerjee, Sw; Bhuyan, B; Brown, C M; Fortin, D; Jackson, P D; Kowalewski, R; Roney, J M; Sobie, R J; Back, J J; Harrison, P F; Mohanty, G B; Band, H R; Chen, X; Cheng, B; Dasu, S; Datta, M; Eichenbaum, A M; Flood, K T; Graham, M; Hollar, J J; Johnson, J R; Kutter, P E; Li, H; Liu, R; Mihalyi, A; Pan, Y; Prepost, R; Tan, P; von Wimmersperg-Toeller, J H; Wu, J; Wu, S L; Yu, Z; Greene, M G; Neal, H

    2005-05-13

    Based on a sample of 227 x 10(6) BB pairs collected by the BABAR detector at the PEP-II asymmetric-energy B Factory at SLAC, we measure the branching fraction B(B0-->pi(0)pi(0))=(1.17+/-0.32+/-0.10)x10(-6), and the asymmetry Cpi(0)(pi(0))=-0.12+/-0.56+/-0.06. The B0-->pi(0)pi(0) signal has a significance of 5.0 sigma. We also measure B(B+-->pi(+)pi(0))=(5.8+/-0.6+/-0.4)x10(-6), B(B+-->K+pi(0))=(12.0+/-0.7+/-0.6)x10(-6), and the charge asymmetries Api(+)(pi(0))=-0.01+/-0.10+/-0.02 and AK+(pi(0))=0.06+/-0.06+/-0.01. Using isospin relations, we find an upper bound on the angle difference |alpha-alpha(eff)| of 35 degrees at the 90% C.L. PMID:15904359

  11. Influence of Secondary Interactions at Graphene-Based Surfaces on the Dynamic and Mechanical Properties in Nanostructured Systems

    NASA Astrophysics Data System (ADS)

    Palmeri, Marc J.

    Graphene, a single atom thick sheet of densely packed carbon atoms, has gained significant interest in nanostructured materials because of its exceptional mechanical, electrical, thermal, and optical properties. Because graphene nanosheets and graphene-based nanoparticles present enormous surface areas relative to their volume, interfacial interactions at graphene-based surfaces yield a significant impact on the properties of nanostructured systems. In this dissertation, secondary interactions (e.g., pi-pi interactions and hydrogen-bonding) at graphene-based surfaces in composite systems and freestanding nanoparticle films were studied, with a focus on their influence over mechanical and dynamic properties. In polymer nanocomposite systems containing carbon nanotubes, the region of altered chain dynamics near nanotube surfaces was examined as a function of crosslink density by dynamic scanning calorimetry. Three mechanisms of altered dynamics were postulated in crosslinked systems, with diminished percolation of these effects at increasing crosslink densities due to restrictions in the length scale of chain rearrangements. In-depth fracture analysis of a polymer nanocomposite containing carbon nanofibers with a stacked-cup structure pointed to the first observation of sacrificialbonding behavior in the inorganic phase of composite systems. Either continuous unraveling or discrete splaying of the coiled graphene sheets were found to dissipate energy by overcoming the relatively weak pi-pi interactions between stacked layers, yielding significant toughening at low nanofiber contents. Incorporation of these nanofibers into carbon-fiber-reinforced composites yielded mechanical enhancements in matrix-dominated properties while improving transverse electrical conductivity. Finally, the formation mechanism of freestanding graphene oxide films (or papers) fabricated by vacuum-assisted filtration of aqueous colloidal suspensions was examined as a function of both film thickness and nanosheet carbon-to-oxygen (C/O) ratio. The former was determined to impact the robustness of interlamellar contacts by means of varying degrees of compaction, resulting in brittle and tough films for intimate and loose interlamellar contacts, respectively. The mechanical response of GO papers was found to be fairly insensitive to oxidation state at low C/O ratios due to oversaturation of the hydrogen-bonding network, whereas loss of mechanical integrity was found at high C/O ratios due to lower availability of surface functional groups to form a robust hydrogen-bonding network.

  12. The influence of inter- and intramolecular hydrogen-bonding interactions of azo dyes on the dynamics of photo-induced anisotropy

    NASA Astrophysics Data System (ADS)

    Lo, Yu-An

    In a previous study the orientation dynamics of an o-derivitized methyl red monolayer (o-dMR ML) was found to exhibit unusual sub-diffusive behavior caused by molecular interactions. From our prior study of the cis to trans thermal relaxation rate of o-dMR in solution-based experiments, we discovered an unexpected behavior that appeared to be associated with the hydrogen bonding properties of the solvents. The objective was to further investigate the influence of hydrogen bonding on cis to trans thermal relaxation and to possibly connect it to the orientational dynamic of the monolayer. The o-methylated_dMR, which has the hydrogen on the amide group of o-dMR methylated, was synthesized. The influence of the hydrogen bonding on o-dMR and o-methylated_dMR was studied through solution experiment: UV-Vis absorption spectroscopy, the measurement of the cis-trans thermal relaxation rate, and the quantum mechanical modeling. The surface characterization of the conformity, thickness and the volume density for o-dMR and o-methylated_dMR ML were done through atomic force microscopy and angle-resolved x-ray photoelectron spectroscopy. The effect of intermolecular interactions within the MLs was studied through the UV-Vis absorption spectroscopy, the measurement of the cis-trans thermal relaxation rate and the measurement of the birefringence of the MLs. The solution study indicated that the competition between intermolecular and intramolecular hydrogen bond leads to the decrease of the cis-trans thermal relaxation rate. By contrast, the intermolecular hydrogen bonding between the electron-withdrawing group of o-dMR and the hydrogen-bond donor solvent molecules increases the cis-trans thermal relaxation rate of o-dMR. The monolayer study of UV-Vis absorption spectroscopy and thermal relaxation measurement indicates that the transition and excited state of the molecules are affected by intermolecular hydrogen interactions and pi-pi stacking interactions. However, the result of the birefringence study implied that the unusual sub-diffusion kinetics of the o-dMR ML is mainly caused by the pi-pi stacking interactions rather than the hydrogen bonding interactions. The o-dMR ML develops a better photo-induced anisotropic layer than the o-methylated_dMR ML, which is mainly contributed by a faster thermal relaxation rate and a higher volume density of the o-dMR ML.

  13. [The role of stacking interactions in the mechanisms of binding of the glycine site of NMDA-receptor with antagonists and 3-hydroxykynurenine].

    PubMed

    Zakharov, G A; Popov, A V; Savvateeva-Popova, E V; Shchegolev, B F

    2008-01-01

    Ab initio quantum chemical calculations of benzene dimer, benzene dimer with 5,7 clorination of one aromatic ring, 3-hydroxykynurenine, and kunurenic acid molecules situated above Phe484 aromatic ring of receptor binding site fragment were carried out in order to investigate the role of stacking interaction in the binding of agonists and antagonists with the glycine site of the NMDA receptor NR1 subunit. All calculations were done with the help of GAMESS 6.4 software with 6-31G** atomic gaussian basal functions with complete optimization of geometry and taking into account the electron correlation up to the second-order Moller-Plesset perturbation theory. It was shown that the parallel dislodged conformations of the benzene dimer is energetically most advantageous. Successive substitution of chlorine atoms for the protons of one aromatic ring in 7 and 5 positions leads to an increase in stacking-interaction energy and a mutual displacement of aromatic rings. In the case of kunurenic acid and its derivatives, which are NMDA receptor antagonists, the increase in the energy of stacking interactions leads to the strengthening of inhibition of the ion channel, whereas the 3-hydroxykynurenine molecule is neither agonist, nor antagonist for the glycine site of the NMDA receptor due to the sterical constraints. PMID:18488496

  14. Evaluating how discrete water molecules affect protein-DNA ?-? and ?(+)-? stacking and T-shaped interactions: the case of histidine-adenine dimers.

    PubMed

    Leavens, Fern M V; Churchill, Cassandra D M; Wang, Siyun; Wetmore, Stacey D

    2011-09-22

    Changes in the magnitude of (M06-2X/6-31+G(d,p)) ?-? stacking and T-shaped (nucleobase-edge and amino acid-edge) interactions between (neutral or protonated) histidine (His) and adenine (A) dimers upon microsolvation with up to four discrete water molecules were determined. A variety of histidine-water interactions were considered including conventional (N-H···O, N···H-O, C-H···O) hydrogen bonding and nonconventional (X-H···? (neutral His) or lone-pair···? (protonated His)) contacts. Overall, the effects of discrete His-H(2)O interactions on the neutral histidine-adenine ?-? contacts are negligible (<3 kJ mol(-1) or 15%) regardless of the type of water binding, the number of water molecules bound, or the His-A dimer (stacked or (amino acid- or nucleobase-edge) T-shaped) configuration. This suggests that previously reported gas-phase binding strengths for a variety of neutral amino acid-nucleobase dimers are likely relevant for a wide variety of (microsolvated) environments. In contrast, the presence of water decreases the histidine-adenine ?(+)-? interaction by up to 15 kJ mol(-1) (or 30%) for all water binding modes and orientations, as well as different stacked and T-shaped His(+)-A dimers. Regardless of the larger effect of discrete histidine-water interactions on the magnitude of the ?(+)-? compared with ?-? interactions, the ?(+)-? binding strengths remain substantially larger than the corresponding ?-? contacts. These findings emphasize the distinct nature of ?(+)-? and ?-? interactions and suggest that ?(+)-? contacts can provide significant stabilization in biological systems relative to ?-? contacts under many different environmental conditions. PMID:21809837

  15. Stacking Up

    ERIC Educational Resources Information Center

    Naylor, Jim

    2005-01-01

    Chimneys and stacks appear to be strong and indestructible, but chimneys begin to deteriorate from the moment they are built. Early on, no signs are apparent; but deterioration accelerates in subsequent years, and major repairs are soon needed instead of minor maintenance. With proper attention, most structures can be repaired and continue to…

  16. Stacking Up

    ERIC Educational Resources Information Center

    Naylor, Jim

    2005-01-01

    Chimneys and stacks appear to be strong and indestructible, but chimneys begin to deteriorate from the moment they are built. Early on, no signs are apparent; but deterioration accelerates in subsequent years, and major repairs are soon needed instead of minor maintenance. With proper attention, most structures can be repaired and continue to…

  17. Manifestation of ?-? stacking interactions in luminescence properties and energy transfer in aromatically-derived Tb, Eu and Gd tris(pyrazolyl)borate complexes.

    PubMed

    Mikhalyova, Elena A; Yakovenko, Anastasiya V; Zeller, Matthias; Kiskin, Mikhail A; Kolomzarov, Yuriy V; Eremenko, Igor L; Addison, Anthony W; Pavlishchuk, Vitaly V

    2015-04-01

    The three new complexes Tp(Py)Ln(CH3CO2)2(H2O) (Ln = Eu (1), Gd(2), or Tb (3)) were prepared and characterized crystallographically. In the crystal lattices of these complexes, separate molecules are connected in infinite chains by ?-stacking interactions. Complexes 1 and 3 display intense photoluminescence and triboluminescence (red and green respectively), while compound 3 exhibits electroluminescence commencing at 9 V in an ITO/PVK/3/Al device (ITO = indium-tin oxide, PVK = poly(N-vinylcarbazole)). A series of Eu/Tb-doped Gd compounds was prepared by cocrystallization from mixtures of 1 and 2 or 2 and 3, respectively. It was shown that ?-stacking interactions are involved in increasing the efficiency of energy transfer from the gadolinium complex to emitting [Tp(Py)Eu](2+) or [Tp(Py)Tb](2+) centers, and this energy transfer occurs through hundreds of molecules, resembling the process of energy harvesting in chloroplast stacks. PMID:25797500

  18. Cross Sections for the Reactions e+e to K+ K- pi+pi-, K+ K- pi0pi0, and K+ K- K+ K- Measured Using Initial-State Radiation

    SciTech Connect

    Lees, J.P.; Poireau, V.; Prencipe, E.; Tisserand, V.; Garra Tico, J.; Grauges, E.; Martinelli, M.; Milanes, D.A.; Palano, A.; Pappagallo, M.; Eigen, G.; Stugu, B.; Sun, L.; Brown, D.N.; Kerth, L.T.; Kolomensky, Yu.G.; Lynch, G.; Osipenkov, I.L.; Koch, H.; Schroeder, T.; Asgeirsson, D.J.; /British Columbia U. /Brunel U. /Novosibirsk, IYF /UC, Irvine /UC, Riverside /UC, Santa Barbara /UC, Santa Cruz /Caltech /Cincinnati U. /Colorado U. /Colorado State U. /Dortmund U. /Dresden, Tech. U. /Ecole Polytechnique /Edinburgh U. /INFN, Trieste /INFN, Trieste /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Trieste /INFN, Ferrara /Ferrara U. /Frascati /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Trieste /INFN, Trieste /Trieste U. /INFN, Trieste /INFN, Genoa /Genoa U. /Indian Inst. Tech., Guwahati /Harvard U. /Harvey Mudd Coll. /Heidelberg U. /Humboldt U., Berlin /Imperial Coll., London /Iowa State U. /Iowa State U. /Johns Hopkins U. /Orsay, LAL /LLNL, Livermore /Liverpool U. /Queen Mary, U. of London /Royal Holloway, U. of London /Louisville U. /Mainz U., Inst. Kernphys. /Manchester U., Comp. Sci. Dept. /Maryland U. /Massachusetts U., Amherst /MIT /McGill U. /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Trieste /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Milan /Milan U. /Mississippi U. /Montreal U. /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Naples /Naples U. /NIKHEF, Amsterdam /Notre Dame U. /Ohio State U. /Oregon U. /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Trieste /INFN, Trieste /INFN, Trieste /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Padua /Padua U. /Paris U., VI-VII /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Perugia /Perugia U. /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Trieste /INFN, Pisa /Princeton U. /INFN, Trieste /INFN, Trieste /INFN, Trieste /Trieste U. /INFN, Trieste /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Trieste /INFN, Trieste /INFN, Trieste /INFN, Rome /Rome U. /Rostock U. /Rutherford /DAPNIA, Saclay /SLAC /South Carolina U. /Southern Methodist U. /Stanford U., Phys. Dept. /SUNY, Albany /Tel Aviv U. /Tennessee U. /Texas U. /Texas U., Dallas /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Turin /Turin U. /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /INFN, Trieste /Trieste U. /Valencia U., IFIC /Victoria U. /Warwick U. /Wisconsin U., Madison

    2011-08-19

    We study the processes e{sup +}e{sup -} {yields} K{sup +}K{sup -}{pi}{sup +}{pi}-{gamma}, K{sup +}K{sup -}{pi}{sup 0}{pi}{sup 0}{gamma}, and K{sup +}K{sup -}K{sup +}K{sup -}{gamma}, where the photon is radiated from the initial state. About 84000, 8000, and 4200 fully reconstructed events, respectively, are selected from 454 fb{sup -1} of BABAR data. The invariant mass of the hadronic final state defines the e{sup +}e{sup -} center-of-mass energy, so that the K{sup +}K{sup -}{pi}{sup +}{pi}{sup -}{gamma} data can be compared with direct measurements of the e{sup +}e{sup -} {yields} K{sup +}K{sup -}{pi}{sup +}{pi}{sup -} reaction. No direct measurements exist for the e{sup +}e{sup -} {yields} K{sup +}K{sup -}{pi}{sup 0}{pi}{sup 0} or e{sup +}e{sup -} {yields} K{sup +}K{sup -}K{sup +}K{sup -} reactions, and we present an update of our previous result with doubled statistics. Studying the structure of these events, we find contributions from a number of intermediate states, and extract their cross sections. In particular, we perform a more detailed study of the e{sup +}e{sup -} {yields} {phi}(1020){pi}{pi}{gamma} reaction, and confirm the presence of the Y (2175) resonance in the {phi}(1020)f{sub 0}(980) and K{sup +}K{sup -} f{sub 0}(980) modes. In the charmonium region, we observe the J/{psi} in all three final states and in several intermediate states, as well as the {phi}(2S) in some modes, and measure the corresponding branching fractions.

  19. Differential Base Stacking Interactions Induced by Trimethylene Interstrand DNA Cross-Links in the 5?-CpG-3? and 5?-GpC-3? Sequence Contexts

    PubMed Central

    2009-01-01

    Synthetically derived trimethylene interstrand DNA cross-links have been used as surrogates for the native cross-links that arise from the 1,N2-deoxyguanosine adducts derived from ?,?-unsaturated aldehydes. The native enal-mediated cross-linking occurs in the 5?-CpG-3? sequence context but not in the 5?-GpC-3? sequence context. The ability of the native enal-derived 1,N2-dG adducts to induce interstrand DNA cross-links in the 5?-CpG-3? sequence as opposed to the 5?-GpC-3? sequence is attributed to the destabilization of the DNA duplex in the latter sequence context. Here, we report higher accuracy solution structures of the synthetically derived trimethylene cross-links, which are refined from NMR data with the AMBER force field. When the synthetic trimethylene cross-links are placed into either the 5?-CpG-3? or the 5?-GpC-3? sequence contexts, the DNA duplex maintains B-DNA geometry with structural perturbations confined to the cross-linked base pairs. Watson?Crick hydrogen bonding is conserved throughout the duplexes. Although different from canonical B-DNA stacking, the cross-linked and the neighbor base pairs stack in the 5?-CpG-3? sequence. In contrast, the stacking at the cross-linked base pairs in the 5?-GpC-3? sequence is greatly perturbed. The ?-stacking interactions between the cross-linked and the neighbor base pairs are reduced. This is consistent with remarkable chemical shift perturbations of the C5 H5 and H6 nucleobase protons that shifted downfield by 0.4?0.5 ppm. In contrast, these chemical shift perturbations in the 5?-CpG-3? sequence are not remarkable, consistent with the stacked structure. The differential stacking of the base pairs at the cross-linking region probably explains the difference in stabilities of the trimethylene cross-links in the 5?-CpG-3? and 5?-GpC-3? sequence contexts and might, in turn, account for the sequence selectivity of the interstrand cross-link formation induced by the native enal-derived 1,N2-dG adducts. PMID:19916525

  20. Diffractive stacks of metamaterial lattices with a complex unit cell: Self-consistent long-range bianisotropic interactions in experiment and theory

    NASA Astrophysics Data System (ADS)

    Kwadrin, Andrej; Koenderink, A. Femius

    2014-01-01

    Metasurfaces and metamaterials promise arbitrary rerouting of light using two-dimensional (2D) planar arrangements of electric and magnetic scatterers, respectively, 3D stacks built out of such 2D planes. An important problem is how to self-consistently model the response of these systems in a manner that retains dipole intuition yet does full justice to the self-consistent multiple scattering via near-field and far-field retarded interactions. We set up such a general model for metamaterial lattices of complex 2D unit cells of poly-atomic basis as well as allowing for stacking in a third dimension. In particular, each scatterer is quantified by a magnetoelectric polarizability tensor and Ewald lattice summation deals with all near-field and long-range retarded electric, magnetic, and magnetoelectric couplings self-consistently. We show in theory and experiment that grating diffraction orders of dilute split ring lattices with complex unit cells show a background-free signature of magnetic dipole response. For denser lattices experiment and theory show that complex unit cells can reduce the apparent effect of bianisotropy, i.e., the strong oblique-incidence handed response that was reported for simple split ring lattices. Finally, the method is applied to calculate transmission of finite stacks of lattices. Thereby our simple methodology allows us to trace the emergence of effective material constants when building a 3D metamaterial layer by layer, as well as facilitating the design of metasurfaces.

  1. Contribution of Partial Charge Interactions and Base Stacking to the Efficiency of Primer Extension at and beyond Abasic Sites in DNA

    SciTech Connect

    Xia, Shuangluo; Vashishtha, Ashwani; Bulkley, David; Eom, Soo Hyun; Wang, Jimin; Konigsberg, William H.

    2012-08-31

    During DNA synthesis, base stacking and Watson-Crick (WC) hydrogen bonding increase the stability of nascent base pairs when they are in a ternary complex. To evaluate the contribution of base stacking to the incorporation efficiency of dNTPs when a DNA polymerase encounters an abasic site, we varied the penultimate base pairs (PBs) adjacent to the abasic site using all 16 possible combinations. We then determined pre-steady-state kinetic parameters with an RB69 DNA polymerase variant and solved nine structures of the corresponding ternary complexes. The efficiency of incorporation for incoming dNTPs opposite an abasic site varied between 2- and 210-fold depending on the identity of the PB. We propose that the A rule can be extended to encompass the fact that DNA polymerase can bypass dA/abasic sites more efficiently than other dN/abasic sites. Crystal structures of the ternary complexes show that the surface of the incoming base was stacked against the PB's interface and that the kinetic parameters for dNMP incorporation were consistent with specific features of base stacking, such as surface area and partial charge-charge interactions between the incoming base and the PB. Without a templating nucleotide residue, an incoming dNTP has no base with which it can hydrogen bond and cannot be desolvated, so that these surrounding water molecules become ordered and remain on the PB's surface in the ternary complex. When these water molecules are on top of a hydrophobic patch on the PB, they destabilize the ternary complex, and the incorporation efficiency of incoming dNTPs is reduced.

  2. Metal-organic frameworks exhibiting strong anion-pi interactions.

    PubMed

    Gural'skiy, Ilya A; Solntsev, Pavlo V; Krautscheid, Harald; Domasevitch, Konstantin V

    2006-12-14

    Coordination polymers offer a significant potential for applications in adsorption, guest and anion recognition and sensing. Their structure commonly provides binding sites for such specific interactions as pi-pi stacking and XH...pi hydrogen bonding. The latter reflects the ability of the pi-cloud to interact with positively polarized atoms. An electrostatic interaction between anionic species and electron deficient heterocycles, which parallels the above binding scheme, is also possible and very recently the existence of anion-pi interactions was proved in the solid state and in solution. This effect may be significant also for biomolecule/solution interfaces, as it occurs in protein structures. In fact, such interactions could be especially relevant for host-guest chemistry of coordination polymers, particularly for functionalization of hydrophobic crystal cavities and for the design of geometrically rigid anion receptors. However, typical electron deficient heterocycles such as 1,3,5-triazines and 1,2,4,5-tetrazines are very weak donors and they are hardly suitable for bridging metal ions and the generation of coordination frameworks. As a system that combines efficient donor properties towards transition metal ions and a pronounced ability for anion-pi interactions we have developed unsubstituted pyridazino[4,5-d]pyridazine, which was readily accessible by a novel one-pot synthesis involving inverse electron demand Diels-Alder cycloaddition (Scheme 1). Unusual anion binding properties of the ligand may be clearly related to its electron-deficiency (LUMO energy -1.591 vs. -0.288 eV for the parent pyridazine), influenced also by N-coordination to such Lewis acids as metal ions. PMID:17345736

  3. Modulation of the stacking interaction of MN4 (M=Pt, Pd, Au) complexes with tryptophan through N-heterocyclic ligands.

    PubMed

    Tsotsoros, Samantha D; Bate, Aaron B; Dows, Martina G; Spell, Sarah R; Bayse, Craig A; Farrell, Nicholas P

    2014-03-01

    A survey of selected N-heterocycle ligands showed that platination of 4-N-dimethylaminopyridine (DMAP) in [Pt(dien)L](2+) (dien=diethylenetriamine) gave especially strong ?-? stacking interactions with tryptophan and the tryptophan-containing C-terminal zinc finger (ZF) of the HIV (human immunodeficiency virus) nucleocapsid protein NCp7. The association constants (all at 10(3)M(-1)) were significantly stronger (25.0 and 28.1 for tryptophan and ZF respectively) than those previously measured for the purine nucleobase 9-ethylguanine (9EtG) in [Pt(dien)(9EtG)](2+) (6.88 and 7.55 for tryptophan and ZF respectively). Extension to Pd and Au complexes also confirmed the utility of DMAP in assisting stacking interactions. The results confirm the utility of a "bioinorganic" approach to targeting and inactivation of medicinal chemistry targets using the dual approach of target recognition (non-covalent) followed by target fixation (covalent). PMID:24206773

  4. Carbonyl-carbonyl interactions and amide ?-stacking as the directing motifs of the supramolecular assembly of ethyl N-(2-acetylphenyl)oxalamate in a synperiplanar conformation.

    PubMed

    Cabrera-Pérez, Laura C; García-Báez, Efrén V; Franco-Hernández, Marina O; Martínez-Martínez, Francisco J; Padilla-Martínez, Itzia I

    2015-05-01

    The title compound, C12H13NO4, is one of the few examples that exhibits a syn conformation between the amide and ester carbonyl groups of the oxalyl group. This conformation allows the engagement of the amide H atom in an intramolecular three-centred hydrogen-bonding S(6)S(5) motif. The compound is self-assembled by C=O...C=O and amide-? interactions into stacked columns along the b-axis direction. The concurrence of both interactions seems to be responsible for stabilizing the observed syn conformation between the carbonyl groups. The second dimension, along the a-axis direction, is developed by soft C-H...O hydrogen bonding. Density functional theory (DFT) calculations at the B3LYP/6-31G(d,p) level of theory were performed to support the experimental findings. PMID:25940894

  5. Diffusion Monte Carlo applied to weak interactions - hydrogen bonding and aromatic stacking in (bio-)molecular model systems

    NASA Astrophysics Data System (ADS)

    Fuchs, M.; Ireta, J.; Scheffler, M.; Filippi, C.

    2006-03-01

    Dispersion (Van der Waals) forces are important in many molecular phenomena such as self-assembly of molecular crystals or peptide folding. Calculating this nonlocal correlation effect requires accurate electronic structure methods. Usual density-functional theory with generalized gradient functionals (GGA-DFT) fails unless empirical corrections are added that still need extensive validation. Quantum chemical methods like MP2 and coupled cluster are more accurate, yet limited to rather small systems by their unfavorable computational scaling. Diffusion Monte Carlo (DMC) can provide accurate molecular total energies and remains feasible also for larger systems. Here we apply the fixed-node DMC method to (bio-)molecular model systems where dispersion forces are significant: (dimethyl-) formamide and benzene dimers, and adenine-thymine DNA base pairs. Our DMC binding energies agree well with data from coupled cluster (CCSD(T)), in particular for stacked geometries where GGA-DFT fails qualitatively and MP2 predicts too strong binding.

  6. Resonant interaction of light with a stack of alternating layers of a cholesteric liquid crystal and an isotropic medium

    NASA Astrophysics Data System (ADS)

    Gevorgyan, A. H.

    2015-12-01

    Resonance properties of a stack consisting of a cholesteric liquid crystal and isotropic medium layers are investigated. Bragg's conditions for photonic band gaps are presented for the considered system. It is shown that a significant control of the system zone structure is possible in the case of a proper selection of the sublayer parameters. It is also shown that an effect of complete suppression of absorption is not usually observed in the case of anisotropic absorption in cholesteric liquid crystal sublayers. The possibility to achieve this effect in the considered system, imposing certain conditions on the thickness and the refraction index of the isotropic medium sublayers, is shown. Also, it is shown that in such conditions a large increase of the maximum of photonic density of states happens at the appropriate zone borders.

  7. A Survey of Aspartate-Phenylalanine and Glutamate-Phenylalanine Interactions in the Protein Data Bank: Searching for Anion-pi Pairs

    SciTech Connect

    Philip, Vivek M; Harris, Jason B; Adams, Rachel M; Nguyen, Don; Spiers, Jeremy D; Baudry, Jerome Y; Howell, Elizabeth E; Hinde, Robert J

    2011-01-01

    Protein structures are stabilized using noncovalent interactions. In addition to the traditional noncovalent interactions, newer types of interactions are thought to be present in proteins. One such interaction, an anion-{pi} pair, in which the positively charged edge of an aromatic ring interacts with an anion, forming a favorable anion-quadrupole interaction, has been previously proposed [Jackson, M. R., et al. (2007) J. Phys. Chem. B111, 8242-8249]. To study the role of anion-{pi} interactions in stabilizing protein structure, we analyzed pairwise interactions between phenylalanine (Phe) and the anionic amino acids, aspartate (Asp) and glutamate (Glu). Particular emphasis was focused on identification of Phe-Asp or -Glu pairs separated by less than 7 {angstrom} in the high-resolution, nonredundant Protein Data Bank. Simplifying Phe to benzene and Asp or Glu to formate molecules facilitated in silico analysis of the pairs. Kitaura-Morokuma energy calculations were performed on roughly 19000 benzene-formate pairs and the resulting energies analyzed as a function of distance and angle. Edgewise interactions typically produced strongly stabilizing interaction energies (-2 to -7.3 kcal/mol), while interactions involving the ring face resulted in weakly stabilizing to repulsive interaction energies. The strongest, most stabilizing interactions were identified as preferentially occurring in buried residues. Anion-{pi} pairs are found throughout protein structures, in helices as well as {beta} strands. Numerous pairs also had nearby cation-{pi} interactions as well as potential {pi}-{pi} stacking. While more than 1000 structures did not contain an anion-{pi} pair, the 3134 remaining structures contained approximately 2.6 anion-{pi} pairs per protein, suggesting it is a reasonably common motif that could contribute to the overall structural stability of a protein.

  8. Spontaneous Formation of Multiarchitecture Vesicles of [C8mim]Br + [Na]DBS in Aqueous Medium: Synergic Interplay of Electrostatic, Hydrophobic, and ?-? Stacking Interactions.

    PubMed

    Gehlot, Praveen Singh; Rao, K Srinivasa; Bharmoria, Pankaj; Damarla, Krishnaiah; Gupta, Hariom; Drechsler, Markus; Kumar, Arvind

    2015-12-10

    A mixture of a cationic surface active ionic liquid, [C8mim]Br and anionic surfactant, [Na]DBS has been shown to form unilamellar vesicles in water over an exceptionally wide mole fraction range of [C8mim]Br (x1 = 0.2 to 0.8). Formation of vesicles has been evidenced from transmission electron microscopy (TEM), cryo-TEM and atomic force microscopy (AFM) imaging. Cryo-TEM imaging of an equimolar mixture showed multiarchitectural unilamellar vesicles (spherical, tubular, and ribbon). Such complex architectures were earlier reported for Janus dendrimers of different structures (Science, 2010, 328, 1014). The synergism between oppositely charged single chain surfactants to form bilayer structures has been explained based on the evidence of ?-? stacking interaction from 2D NOESY measurements, Coulombic interactions from zeta potential measurements and magnitude of interaction parameter from the critical aggregation concentration. The aggregation concentrations were measured from tensiometry and fluorescence using pyrene as a polarity probe. The phase behavior at different mixture compositions has been revealed from turbidity measurements and visual inspection. Hydrodynamic radii of self-assembled structures in the bulk solution phase were measured from dynamic light scattering. Vesicles formed have been explored as delivery vehicles for proteins using bovine serum albumin (BSA) as model. PMID:26575958

  9. Coupling between hydrogen atoms transfer and stacking interaction in adenine-thymine/guanine-cytosine complexes: a theoretical study.

    PubMed

    Villani, Giovanni

    2014-05-22

    Four different complexes of two base pairs, an adenine-thymine and a guanine-cytosine one, have been studied in order to understand the modifications induced by the staking interaction between the two base pairs on the hydrogen atoms transfers between the bases in either base pair. The inclusion of these two kinds of interactions allows us to clarify if some properties, as the mechanism of hydrogen transfer, is exclusively a local effect of a base pair or can be modified by a more long-range interaction between the base pairs. The results on these four complexes are compared with those of the monomeric systems, the A-T and G-C base pair, and with those of the A-T and G-C dimers. The specificity of each complex and of each hydrogen bond has been analyzed. PMID:24813562

  10. Engineering discrete stacks of aromatic molecules.

    PubMed

    Klosterman, Jeremy K; Yamauchi, Yoshihiro; Fujita, Makoto

    2009-06-01

    Intrigued by transannular interactions occurring in stacked aromatic molecules, chemists have long endeavored to engineer discrete stacks of specific lengths and orientation. The maturation of self-assembly methodologies has shifted the focus away from utilizing covalent scaffolds to harnessing non-covalent interactions such as ionic interactions, hydrogen bonds, metal-ligand interactions, and aromatic interactions. Aromatic molecules often assemble into ill-defined, infinite aggregates and thus multiple self-assembly techniques must be combined to achieve the desired stack size and conformations. This critical review briefly highlights covalent scaffolds of stack aromatics before focusing on modern self-assembly based strategies for engineering discrete stacks of aromatic molecules (149 references). PMID:19587964

  11. A Study of π-π Stacking Interactions and Aromaticity in Polycyclic Aromatic Hydrocarbon/Nucleobase Complexes.

    PubMed

    Trujillo, Cristina; Sánchez-Sanz, Goar

    2016-02-01

    We analysed the interactions and aromaticity electron-density delocalisation observed in π-π complexes between the phenalenyl radical and acenaphthylene, and the DNA and RNA nucleobases (adenine, guanine, cytosine, thymine and uracil). Interaction energies are obtained at the M06-2X/6-311++G(2df,p) computational level for gas phase and PCM-water conditions. For both the phenalenyl radical and acenaphthylene, the complexes formed with guanine are the most stable ones. Atoms in molecules and natural bond orbital results reveal weak π-π interactions between both interacting moieties, characterized by bond critical points between C⋅⋅⋅C and C⋅⋅⋅N atoms. Nucleus independent chemical shifts (NICS) indicate the retention of the aromatic character of the monomers in the outer region of the complex. The fluctuation indexes reveal a loss of electron delocalisation upon complexation for all cases except guanine complexes. Nevertheless, the interface region shows large negative NICS values, which is not associated with an increase of the aromaticity or electron-density delocalisation, but with magnetic couplings of both molecules, leading to an unrealistic description of the aromatic behaviour in that region. PMID:26663678

  12. Electrochemical cell stack assembly

    DOEpatents

    Jacobson, Craig P.; Visco, Steven J.; De Jonghe, Lutgard C.

    2010-06-22

    Multiple stacks of tubular electrochemical cells having a dense electrolyte disposed between an anode and a cathode preferably deposited as thin films arranged in parallel on stamped conductive interconnect sheets or ferrules. The stack allows one or more electrochemical cell to malfunction without disabling the entire stack. Stack efficiency is enhanced through simplified gas manifolding, gas recycling, reduced operating temperature and improved heat distribution.

  13. A quark model calculation of yy->pipi including final-state interactions

    SciTech Connect

    H.G. Blundell; S. Godfrey; G. Hay; Eric Swanson

    2000-02-01

    A quark model calculation of the processes yy->pi+pi- and yy->pipi is performed. At tree level, only charged pions couple to the initial state photons and neutral pions are not exceeded in the final state. However a small but significant cross section is observed. We demonstrate that this may be accounted for by a rotation in isospin space induced by final-state interactions.

  14. Dimer–dimer stacking interactions are important for nucleic acid binding by the archaeal chromatin protein Alba

    PubMed Central

    Jelinska, Clare; Petrovic-Stojanovska, Biljana; Ingledew, W. John; White, Malcolm F.

    2010-01-01

    Archaea use a variety of small basic proteins to package their DNA. One of the most widespread and highly conserved is the Alba (Sso10b) protein. Alba interacts with both DNA and RNA in vitro, and we show in the present study that it binds more tightly to dsDNA (double-stranded DNA) than to either ssDNA (single-stranded DNA) or RNA. The Alba protein is dimeric in solution, and forms distinct ordered complexes with DNA that have been visualized by electron microscopy studies; these studies suggest that, on binding dsDNA, the protein forms extended helical protein fibres. An end-to-end association of consecutive Alba dimers is suggested by the presence of a dimer–dimer interface in crystal structures of Alba from several species, and by the strong conservation of the interface residues, centred on Arg59 and Phe60. In the present study we map perturbation of the polypeptide backbone of Alba upon binding to DNA and RNA by NMR, and demonstrate the central role of Phe60 in forming the dimer–dimer interface. Site-directed spin labelling and pulsed ESR are used to confirm that an end-to-end, dimer–dimer interaction forms in the presence of dsDNA. PMID:20082605

  15. Study of the Tau- to Pi- Pi+ Pi- Pi0 Nu/Tau And Tau- to Pi- Pi- Pi+ Eta Nu/Tau Decays Using the BaBar Detector

    SciTech Connect

    Sobie, Randall; /Victoria U.

    2007-11-14

    The {tau}{sup -} {yields} {pi}{sup -}{pi}{sup +}{pi}{sup -}{nu}{sub {tau}} and {tau}{sup -} {yields} {pi}{sup -}{pi}{sup -}{pi}{sup +}{eta}{nu}{sub {tau}} decays have been studied with the BABAR detector. Preliminary branching fractions on the two modes are presented. The {tau}{sup -} {yields} {pi}{sup -}{pi}{sup -}{pi}{sup +}{eta}{nu}{sub {tau}} mode is found to have a large contribution from the {tau}{sup -} {yields} {omega}{pi}{sup -}{nu}{sub {tau}} decay. The {tau}{sup -} {yields} {pi}{sup -}{pi}{sup -}{pi}{sup +}{eta}{nu}{sub {tau}} decay is studied using the {eta} {yields} {gamma}{gamma} mode and the {tau}{sup -} f{sub 1}(1285){pi}{sup -}{nu}{sub {tau}} decay is seen to be the primary source of these decays. A 90% confidence level upper limit is placed on the {tau}{sup -} {yields} {eta}{prime}(958){pi}{sup -}{nu}{sub {tau}} decay which proceeds through a second-class current and is expected to be forbidden in the limit of perfect isospin symmetry.

  16. Multiplet earthquake relocations and stacked waveform inversions in the Yellowstone volcanic field and implications for volcanic-tectonic interactions

    NASA Astrophysics Data System (ADS)

    Massin, F.; Farrell, J.; Smith, R. B.; Shelly, D. R.

    2012-12-01

    Abnormally high earthquake rates and episodic crustal deformation suggest that the Yellowstone hotspot affects the tectonics of the western United States. However the relationship between the Yellowstone volcanic system and the surrounding tectonic regime remains poorly known. We study the structure and stress field for quantitative modeling of volcano-tectonic interactions using multiplet analysis. Our analysis shows that earthquake rates of Yellowstone are coincident with the uplift and subsidence episodes of the 0.64 Ma Yellowstone caldera: a relative decrease of multiplet activity accompanies each subsidence episode between 1997 and 2010. Our research focuses on the determination of crustal seismogenic structures and related stress perturbations that are responsible for the abnormally intense and cyclic earthquake activity. We consider each multiplet as a homogenous set of earthquakes produced by the same seismic source or fault. We integrate results from double-difference hypocenter relocations and source mechanism determinations to evaluate active fault properties. Hypocenters are constrained by a median of 50 P-wave and 12 S-wave differential arrival times (up to 4062 P-waves and 1187 S-waves). Composite focal mechanism solutions are determined for multiplets with 64 P-wave polarity observations or more. We compare multilinear regression planes of hypocenters of large multiplets and their composite focal mechanisms to choose fault planes and slip directions. We then develop detailed analysis of the largest earthquake swarms in Yellowstone, e.g. the Autumn 1985, the 2008 Yellowstone Lake and the 2010 Madison Plateau earthquake swarms to examine if swarm earthquakes occur on one continuous fault plane or on a network of independent segments with variable orientations. To independently confirm the interpreted fault plane we also invert for the moment tensors of the largest multiplets with a cumulative seismic moment over Mw3. The moment tensors are decomposed into double-couple, compensated linear-vector dipole, and isotropic components to estimate non double-couple sources in Yellowstone multiplets. We finally aim to invert the fault properties and earthquake activity for the 4D stress field. The temporally averaged stress field could be interpreted as the dominant tectonic extension of the Yellowstone Plateau. Temporal variations of the stress field could be compared to GPS-derived ground deformation and discussed in terms of superimposed stresses associated with long-term hydrothermal and volcanic processes. Our results will assist in characterizations of the evolution and stress state of the Yellowstone volcanic field structure and the interaction between hydrothermal, tectonic, and volcanic features.

  17. Crystal structures of 4-chloro-pyridine-2-carbo-nitrile and 6-chloro-pyridine-2-carbo-nitrile exhibit different inter-molecular ?-stacking, C-H?Nnitrile and C-H?Npyridine inter-actions.

    PubMed

    Montgomery, Matthew J; O'Connor, Thomas J; Tanski, Joseph M

    2015-07-01

    The two title compounds are isomers of C6H3ClN2 containing a pyridine ring, a nitrile group, and a chloro substituent. The mol-ecules of each compound pack together in the solid state with offset face-to-face ?-stacking, and inter-molecular C-H?Nnitrile and C-H?Npyridine inter-actions. 4-Chloro-pyridine-2-carbo-nitrile, (I), exhibits pairwise centrosymmetric head-to-head C-H?Nnitrile and C-H?Npyridine inter-actions, forming one-dimensional chains, which are ?-stacked in an offset face-to-face fashion. The inter-molecular packing of the isomeric 6-chloro-pyridine-2-carbo-nitrile, (II), which differs only in the position of the chloro substituent on the pyridine ring, exhibits head-to-tail C-H?Nnitrile and C-H?Npyridine inter-actions, forming two-dimensional sheets which are ?-stacked in an offset face-to-face fashion. In contrast to (I), the offset face-to-face ?-stacking in (II) is formed between mol-ecules with alternating orientations of the chloro and nitrile substituents. PMID:26279884

  18. Crystal structures of 4-chloro­pyridine-2-carbo­nitrile and 6-chloro­pyridine-2-carbo­nitrile exhibit different inter­molecular ?-stacking, C—H?Nnitrile and C—H?Npyridine inter­actions

    PubMed Central

    Montgomery, Matthew J.; O’Connor, Thomas J.; Tanski, Joseph M.

    2015-01-01

    The two title compounds are isomers of C6H3ClN2 containing a pyridine ring, a nitrile group, and a chloro substituent. The mol­ecules of each compound pack together in the solid state with offset face-to-face ?-stacking, and inter­molecular C—H?Nnitrile and C—H?Npyridine inter­actions. 4-Chloro­pyridine-2-carbo­nitrile, (I), exhibits pairwise centrosymmetric head-to-head C—H?Nnitrile and C—H?Npyridine inter­actions, forming one-dimensional chains, which are ?-stacked in an offset face-to-face fashion. The inter­molecular packing of the isomeric 6-chloro­pyridine-2-carbo­nitrile, (II), which differs only in the position of the chloro substituent on the pyridine ring, exhibits head-to-tail C—H?Nnitrile and C—H?Npyridine inter­actions, forming two-dimensional sheets which are ?-stacked in an offset face-to-face fashion. In contrast to (I), the offset face-to-face ?-stacking in (II) is formed between mol­ecules with alternating orientations of the chloro and nitrile substituents. PMID:26279884

  19. Directional stack exchange along oriented oligothiophene stacks.

    PubMed

    Areephong, Jetsuda; Orentas, Edvinas; Sakai, Naomi; Matile, Stefan

    2012-11-01

    Directional growth of ?-basic oligothiophene stacks on solid substrates is achieved by self-organizing, surface-initiated disulfide exchange polymerization. Successful addition of co-axial ?-acidic stacks by templated hydrazone exchange provides general access to multicomponent architectures of unique complexity. PMID:23011272

  20. Three-body Final State Interaction in η→3π

    SciTech Connect

    Guo, Peng; Danilkin, Igor V.; Schott, Diane; Fernández-Ramírez, C.; Mathieu, V.; Szczepaniak, Adam P.

    2015-09-11

    We present an unitary dispersive model for the $\\eta \\to 3 \\pi$ decay process based upon the Khuri-Treiman equations which are solved by means of the Pasquier inversion method. The description of the hadronic final-state interactions for the $\\eta \\to 3\\pi$ decay is essential to reproduce the available data and to understand the existing discrepancies between Dalitz plot parameters from experiment and chiral perturbation theory. Our approach incorporates substraction constants that are fixed by fitting the recent high-statistics WASA-at-COSY data for $\\eta \\to \\pi^+ \\pi^- \\pi^0$. Based on the parameters obtained we predict the slope parameter for the neutral channel to be $\\alpha=-0.022\\pm 0.004$. Through matching to next-to-leading order chiral perturbation theory we estimate the quark mass double ratio to be $Q=21.4 \\pm 0.4$.

  1. Three-body Final State Interaction in η→3π

    DOE PAGESBeta

    Guo, Peng; Danilkin, Igor V.; Schott, Diane; Fernández-Ramírez, C.; Mathieu, V.; Szczepaniak, Adam P.

    2015-09-11

    We present an unitary dispersive model for themore » $$\\eta \\to 3 \\pi$$ decay process based upon the Khuri-Treiman equations which are solved by means of the Pasquier inversion method. The description of the hadronic final-state interactions for the $$\\eta \\to 3\\pi$$ decay is essential to reproduce the available data and to understand the existing discrepancies between Dalitz plot parameters from experiment and chiral perturbation theory. Our approach incorporates substraction constants that are fixed by fitting the recent high-statistics WASA-at-COSY data for $$\\eta \\to \\pi^+ \\pi^- \\pi^0$$. Based on the parameters obtained we predict the slope parameter for the neutral channel to be $$\\alpha=-0.022\\pm 0.004$$. Through matching to next-to-leading order chiral perturbation theory we estimate the quark mass double ratio to be $$Q=21.4 \\pm 0.4$$.« less

  2. A highly-efficient blue-light excitable red phosphor: intramolecular π-stacking interactions in one dinuclear europium(iii) complex.

    PubMed

    Wang, Zhengliang; Yang, Hui; He, Pei; He, Yonghui; Zhao, Jishou; Tang, Huaijun

    2016-02-21

    A series of ternary dinuclear europium(iii) complexes [Eu2(2,7-BTFDBC)3-n(DBM)2n(Phen)2] (n = 0, 1, or 2) were synthesized by using 2,7-bis(4'4'4'-trifluoro-1,3-dioxobutyl)-(9-ethyl-9H-carbazole) (2,7-BTFDBC), dibenzoylmethane (DBM), 1,10-phenanthroline (Phen) and europium(iii) ions. All these complexes display a broad excitation band in the blue region and high intensity emission with high colour purity. The intensity of emission significantly increases with the increase of DBM in [Eu2(2,7-BTFDBC)3-n(DBM)2n(Phen)2] (n = 0, 1, or 2). The theoretical predictions of the molecular geometry and electronic absorption spectrum of [Eu2(2,7-BTFDBC)(DBM)4(Phen)2] confirm that the pendant phenyl domains engage in multiple T-shaped and parallel-displaced π-stacking interactions with the coordination sphere of two europium(iii) centers. Using [Eu2(2,7-BTFDBC)(DBM)4(Phen)2] as a red phosphor, a single red LED has been obtained with a ∼460 nm-emitting GaN chip. PMID:26673545

  3. Stacking Interactions Drive Selective Self-Assembly and Self-Sorting of Pyrene-Based M(II)4L6 Architectures.

    PubMed

    Ronson, Tanya K; Roberts, Derrick A; Black, Samuel P; Nitschke, Jonathan R

    2015-11-18

    Subcomponent self-assembly of two isomeric bis(3-aminophenyl)pyrenes, 2-formylpyridine and the metal ions Fe(II), Co(II), and Zn(II) led to the formation of two previously unidentified structure types: a C2-symmetric M(II)4L6 assembly with meridionally coordinated metal centers, and a C3-symmetric self-included M(II)4L6 assembly with facially coordinated metal centers. In both structures the meta linkages within the ligands facilitate ?-stacking between the pyrene panels of the ligands. A C2h-symmetric M(II)2L2 box was also obtained, which was observed to selectively bind electron-deficient aromatic guests between two parallel pyrene subunits. Similar donor-acceptor interactions drove the selective self-assembly of a singular M(II)4L4L'2 architecture incorporating both a pyrene-containing diamine and an electron-deficient NDI-based diamine. This heteroleptic architecture was shown to be thermodynamically favored over the corresponding homoleptic M(II)4L6 and M(II)4L'6 complexes, which were nonetheless stable in each others' absence. By contrast, an isomeric pyrene-based diamine was observed to undergo narcissistic self-sorting in the presence of the NDI-based diamine. PMID:26509841

  4. Interaction of La0.58Sr0.40Co0.20Fe0.80O3-? cathode with volatile Cr in a stack test - Scanning electron microscopy and transmission electron microscopy investigations

    NASA Astrophysics Data System (ADS)

    Menzler, Norbert H.; Sebold, Doris; Wessel, Egbert

    2014-05-01

    Anode-supported solid oxide fuel cells with special thin-film yttria-stabilized zirconia electrolytes made by sol-gel technology were operated in a short stack sequentially for about 1300 h at temperatures of 700 °C and subsequently for 1200 h at 600 °C, respectively. The stack was operated galvanostatically at a constant current density of 500 mA cm-2. After operation, the stack was dismantled and the cells were analyzed with respect to Cr interaction with the LSCF cathode. Chemical analysis revealed typical overall Cr amounts of several tenths ?g cm-2 cathode area depending on the operation time. SEM cross sections showed less SrCrO4 formation at the typical sites for LSCF (top side of cathode) but there was evidence of chromate formation at the border between the cathode and barrier (electrolyte) layer. This location of foreign phase formation was unexpected. Additional TEM characterizations were therefore conducted. The TEM investigation verified the presence of Cr-containing crystals and revealed pore formation in the barrier layer. The formation of SrCrO4 at this borderline and pore formation were found for the first time after SOFC stack operation.

  5. Stacking textures and singularities in bilayer graphene

    NASA Astrophysics Data System (ADS)

    Mele, Eugene

    2014-03-01

    Multilayer graphenes feature special functionalities that microscopically arise from the atomic registry when graphene sheets are stacked. These depend on relative lateral translations, rotations and layer symmetry breaking that can occur spontaneously or be induced. This talk will focus on bilayer graphenes (BLG) in which the stacking arrangement varies in space. We examine domain walls where the local stacking order switches from local AB to BA registry, and study the electronic modes at the boundary by analyzing their valley-projected four band continuum models augmented by numerical calculations on a lattice. We then consider the more general family of two dimensional strain-minimizing BLG stacking textures, finding that they are twisted textures of the interlayer displacement field. We study the interactions and composition rules for these elementary textures which permit a unified treatment of stacking point defects, domain walls and twisted graphenes. Collaborators: Z. Addison, X. Gong, A.H. MacDonald and Fan Zhang

  6. The effect of pi-stacking, h-bonding, and electrostatic interactions on the ionization energies of nucleic acid bases: adenine-adenine, thymine-thymine and adenine-thymine dimers

    SciTech Connect

    Bravaya, Ksenia B.; Kostko, Oleg; Ahmed, Musahid; Krylov, Anna I.

    2009-09-02

    A combined theoretical and experimental study of the ionized dimers of thymine and adenine, TT, AA, and AT, is presented. Adiabatic and vertical ionization energies(IEs) for monomers and dimers as well as thresholds for the appearance of the protonated species are reported and analyzed. Non-covalent interactions stronglyaffect the observed IEs. The magnitude and the nature of the effect is different for different isomers of the dimers. The computations reveal that for TT, the largestchanges in vertical IEs (0.4 eV) occur in asymmetric h-bonded and symmetric pi- stacked isomers, whereas in the lowest-energy symmetric h-bonded dimer the shiftin IEs is much smaller (0.1 eV). The origin of the shift and the character of the ionized states is different in asymmetric h-bonded and symmetric stacked isomers. Inthe former, the initial hole is localized on one of the fragments, and the shift is due to the electrostatic stabilization of the positive charge of the ionized fragment by thedipole moment of the neutral fragment. In the latter, the hole is delocalized, and the change in IE is proportional to the overlap of the fragments' MOs. The shifts in AAare much smaller due to a less effcient overlap and a smaller dipole moment. The ionization of the h-bonded dimers results in barrierless (or nearly barrierless) protontransfer, whereas the pi-stacked dimers relax to structures with the hole stabilized by the delocalization or electrostatic interactions.

  7. Interactions of aryloxyphenoxypropionic acids with sensitive and resistant acetyl-coenzyme a carboxylase by homology modeling and molecular dynamic simulations.

    PubMed

    Zhu, Xiao-Lei; Zhang, Li; Chen, Qiong; Wan, Jian; Yang, Guang-Fu

    2006-01-01

    Acetyl-coenzyme A carboxylase (ACCase) has been identified as one of the most important targets of herbicides. In the present study, we constructed homology models of the carboxyl-transferase (CT) domain of ACCase from sensitive and resistant foxtail and used these models as templates to study the molecular mechanism of herbicide resistance and stereochemistry-activity relationships of aryloxyphenoxypropionates (APPs). In the homology modeling structures, the dimer of the CT domain was formed by the side-to-side arrangement of the two monomers, in such a way that the N domain of one molecule is placed next to the C domain of the other. The dimeric association of sensitive foxtail CT was found to differ from that of resistant foxtail CT, and the spatial orientation of two key residues, Leu-695 and Ile-695, in these dimers also differed. The mutation of Ile to Leu may perturb the conformation of the dimeric interface, which may account for the molecular mechanism of herbicide resistance. Further docking analysis indicated that the binding model of high-active compounds is similar to that in the crystal structure of the enzyme-ligand complex. The different spatial orientations of ester groups of the isomers of APPs may explain the stereochemistry-activity relationship. Ser-698 formed a H-bonding interaction with all of the docked ligands, while Tyr-728 formed a pi-pi stacking interaction with some of the APPs. These findings may enhance our understanding of the molecular mechanism of herbicide resistance and stereochemistry-activity relationships, which may provide a new starting point for the identification of more potent inhibitors against both sensitive and resistant ACCase. PMID:16859313

  8. ?-stacking and C-X...D (X = H, NO2; D = O, ?) interactions in the crystal network of both C-H...N and ?-stacked dimers of 1,2-bis(4-bromophenyl)-1H-benzimidazole and 2-(4-bromophenyl)-1-(4-nitrophenyl)-1H-benzimidazole.

    PubMed

    González-Padilla, Jazmin E; Rosales-Hernández, Martha C; Padilla-Martínez, Itzia I; García-Báez, Efren V; Rojas-Lima, Susana; Salazar-Pereda, Veronica

    2014-01-01

    Molecules of 1,2-bis(4-bromophenyl)-1H-benzimidazole, C19H12Br2N2, (I), and 2-(4-bromophenyl)-1-(4-nitrophenyl)-1H-benzimidazole, C19H12BrN3O2, (II), are arranged in dimeric units through C-H...N and parallel-displaced ?-stacking interactions favoured by the appropriate disposition of N- and C-bonded phenyl rings with respect to the mean benzimidazole plane. The molecular packing of the dimers of (I) and (II) arises by the concurrence of a diverse set of weak intermolecular C-X...D (X = H, NO2; D = O, ?) interactions. PMID:24399227

  9. Observation of pi+pi-pi+pi- photoproduction in ultraperipheral heavy-ion collisions at sqrt sNN = 200 GeV at the STAR detector

    SciTech Connect

    STAR Collaboration; Abelev, Betty

    2010-07-05

    We present a measurement of {pi}{sup +}{pi}{sup -}{pi}{sup +}{pi}{sup -} photonuclear production in ultra-peripheral Au-Au collisions at {radical}s{sub NN} = 200 GeV from the STAR experiment. The {pi}{sup +}{pi}{sup -}{pi}{sup +}{pi}{sup -} final states are observed at low transverse momentum and are accompanied by mutual nuclear excitation of the beam particles. The strong enhancement of the production cross section at low transverse momentum is consistent with coherent photoproduction. The {pi}{sup +}{pi}{sup -}{pi}{sup +}{pi}{sup -} invariant mass spectrum of the coherent events exhibits a broad peak around 1540 {+-} 40 MeV/c{sup 2} with a width of 570 {+-} 60 MeV/c{sup 2}, in agreement with the photoproduction data for the {rho}{sup 0}(1700). We do not observe a corresponding peak in the {pi}{sup +}{pi}{sup -} final state and measure an upper limit for the ratio of the branching fractions of the {rho}{sup 0}(1700) to {pi}{sup +}{pi}{sup -} and {pi}{sup +}{pi}{sup -}{pi}{sup +}{pi}{sup -} of 2.5% at 90% confidence level. The ratio of {rho}{sup 0}(1700) and {rho}{sup 0}(770) coherent production cross sections is measured to be 13.4 {+-} 0.8{sub stat.} {+-} 4.4{sub syst.}%.

  10. Observation of pi+ pi- pi+pi- photoproduction in ultraperipheral heavy-ion collisons at sqrt sNN = 200 GeV at the STAR Detector

    SciTech Connect

    Abelev, B.I.; Dunlop, J.; et al. STAR Collaboration

    2010-04-02

    We present a measurement of {pi}{sup +}{pi}{sup -}{pi}{sup +}{pi}{sup -} photonuclear production in ultraperipheral Au-Au collisions at {radical}s{sub NN} = 200 GeV from the STAR experiment. The {pi}{sup +}{pi}{sup -}{pi}{sup +}{pi}{sup -} final states are observed at low transverse momentum and are accompanied by mutual nuclear excitation of the beam particles. The strong enhancement of the production cross section at low transverse momentum is consistent with coherent photoproduction. The {pi}{sup +}{pi}{sup -}{pi}{sup +}{pi}{sup -} invariant mass spectrum of the coherent events exhibits a broad peak around 1540 {+-} 40 MeV/c{sup 2} with a width of 570 {+-} 60 MeV/c{sup 2}, in agreement with the photoproduction data for the {rho}{sup 0}(1700). We do not observe a corresponding peak in the {pi}{sup +}{pi}{sup -} final state and measure an upper limit for the ratio of the branching fractions of the {rho}{sup 0}(1700) to {pi}{sup +}{pi}{sup -} and {pi}{sup +}{pi}{sup -}{pi}{sup +}{pi}{sup -} of 2.5% at 90% confidence level. The ratio of {rho}{sup 0}(1700) and {rho}{sup 0}(770) coherent production cross sections is measured to be 13.4 {+-} 0.8{sub stat.}{+-}4.4{sub syst.}%.

  11. PAM stack test utility

    Energy Science and Technology Software Center (ESTSC)

    2007-08-22

    The pamtest utility calls the normal PAM hooks using a service and username supplied on the command line. This allows an administratory to test any one of many configured PAM stacks as any existing user on the machine.

  12. Gene stacking by recombinases.

    PubMed

    Srivastava, Vibha; Thomson, James

    2016-02-01

    Efficient methods of stacking genes into plant genomes are needed to expedite transfer of multigenic traits to crop varieties of diverse ecosystems. Over two decades of research has identified several DNA recombinases that carryout efficient cis and trans recombination between the recombination sites artificially introduced into the plant chromosome. The specificity and efficiency of recombinases make them extremely attractive for genome engineering. In plant biotechnology, recombinases have mostly been used for removing selectable marker genes and have rarely been extended to more complex applications. The reversibility of recombination, a property of the tyrosine family of recombinases, does not lend itself to gene stacking approaches that involve rounds of transformation for integrating genes into the engineered sites. However, recent developments in the field of recombinases have overcome these challenges and paved the way for gene stacking. Some of the key advancements include the application of unidirectional recombination systems, modification of recombination sites and transgene site modifications to allow repeated site-specific integrations into the selected site. Gene stacking is relevant to agriculturally important crops, many of which are difficult to transform; therefore, development of high-efficiency gene stacking systems will be important for its application on agronomically important crops, and their elite varieties. Recombinases, by virtue of their specificity and efficiency in plant cells, emerge as powerful tools for a variety of applications including gene stacking. PMID:26332944

  13. The effect of pi-stacking, H-bonding, and electrostatic interactions on the ionization energies of nucleic acid bases: adenine-adenine, thymine-thymine and adenine-thymine dimers.

    PubMed

    Bravaya, Ksenia B; Kostko, Oleg; Ahmed, Musahid; Krylov, Anna I

    2010-03-14

    A combined theoretical and experimental study of the ionized dimers of thymine and adenine, TT, AA, and AT, is presented. Experimentally observed and computed adiabatic and vertical ionization energies (IEs) for monomers and dimers as well as thresholds for the appearance of the protonated species are reported and analyzed. Non-covalent interactions strongly affect the observed IEs. The magnitude and the nature of the effect is different for different isomers of the dimers. The computations reveal that for TT, the largest changes in vertical IEs (0.4 eV) relative to the monomer occur in asymmetric H-bonded and symmetric pi-stacked isomers, whereas in the lowest-energy symmetric H-bonded dimer the shift in IEs is much smaller (0.2 eV). The origin of the shift and the character of the ionized states is different in asymmetric H-bonded and symmetric stacked isomers. In the former, the initial hole is localized on one of the fragments, and the shift is due to the electrostatic stabilization of the positive charge of the ionized fragment by the dipole moment of the neutral fragment. In the latter, the hole is delocalized, and the change in IE is proportional to the overlap of the fragments' MOs. Relative to TT, the shifts in AA and AT are much smaller due to a less efficient overlap, smaller dipole of A and the large energy gap between ionized states of A and T monomers in the case of AT dimer. The ionization of the H-bonded dimers results in barrierless (or nearly barrierless) proton transfer, whereas the pi-stacked dimers relax to structures with the hole stabilized by the delocalization or electrostatic interactions. PMID:20449342

  14. Rare Nonleptonic Decays of the Omega Hyperon: Measurements of the Branching Ratios for Omega-+ --> Xi*0(1530) (anti-Xi*0(1530)) pi-+ and Omega-+ --> Xi-+ pi+- pi-+

    SciTech Connect

    Kamaev, Oleg; /IIT, Chicago

    2007-12-01

    A clean signal of 78 (24) events has been observed in the rare nonleptonic particle (antiparticle) decay modes {Omega}{sup {-+}} {yields} {Xi}{sup {-+}}{pi}{sup {+-}}{pi}{sup {-+}} using data collected with the HyperCP spectrometer during Fermilab's 1999 fixed-target run. We obtain B({Omega}{sup -} {yields} {Xi}{sup -}{pi}{sup +}{pi}{sup -}) = [4.32 {+-} 0.56(stat) {+-} 0.28(syst)] x 10{sup -4} and B({Omega}{sup +} {yields} {Xi}{sup +}{pi}{sup -}{pi}{sup +}) = 3.13 {+-} 0.71(stat) {+-} 0.20(syst) x 10{sup -4}. This is the first observation of the antiparticle mode. Our measurement for the particle mode agrees with the previous experimental result and has an order-of-magnitude better precision. We extract the contribution from the resonance decay mode {Omega}{sup {-+}} {yields} {Xi}*{sub 1530}{sup 0} ({ovr {Xi}*{sub 1530}{sup 0}}){pi}{sup {-+}} to the final state {Xi}{sup {-+}}{pi}{sup {+-}}{pi}{sup {-+}}. This the first actual measurement of the resonance-mode branching ratios, gives B({Omega}{sup -} {yields} {Xi}*{sub 1530}{sup 0} {pi}{sup -}) = [4.55 {+-} 2.33(stat) {+-} 0.38(syst)] x 10{sup -5}, B({Omega}{sup +} {yields} {ovr {Xi}*{sub 1530}{sup 0}}{pi}{sup +}) = [1.40 {+-} 2.83(stat) {+-} 0.12(syst)] x 10{sup -5} and disagrees with the current Particle Data Group review value, being {approx} 14 times smaller. Since the central value of the resonance-mode branching ratio is less than two standard deviations away from zero, we also calculate branching ratio upper limits at 90% confidence level: B({Omega}{sup -} {yields} {Xi}*{sub 1530}{sup 0} {pi}{sup -}) < 7.61 x 10{sup -5} and B({Omega}{sup +} {yields} {ovr {Xi}*{sub 1530}{sup 0}} {pi}{sup +}) < 5.61 x 10{sup -5}. This analysis provides new data on nonleptonic hyperon decays which allows studies of how weak interaction processes occur in the presence of strong interactions.

  15. 2-Amino-1,3-benzothiazole-ethyl coumarin-3-carboxylate (1/1).

    PubMed

    Padilla-Martínez, Itzia I; García-Báez E, Efrén V; Höpfl, Herbert; Martínez-Martínez, Francisco J

    2003-10-01

    The title adduct, C(7)H(6)N(2)S.C(12)H(10)O(4), is formed via N-H.O and N-H.N hydrogen-bonding interactions, which generate a tetrameric unit with a pseudo-centre of symmetry. The tetramer further packs through parallel-displaced pi-pi stacking interactions along the a direction. PMID:14532665

  16. Heteroaromatic π-Stacking Energy Landscapes

    PubMed Central

    2014-01-01

    In this study we investigate π-stacking interactions of a variety of aromatic heterocycles with benzene using dispersion corrected density functional theory. We calculate extensive potential energy surfaces for parallel-displaced interaction geometries. We find that dispersion contributes significantly to the interaction energy and is complemented by a varying degree of electrostatic interactions. We identify geometric preferences and minimum interaction energies for a set of 13 5- and 6-membered aromatic heterocycles frequently encountered in small drug-like molecules. We demonstrate that the electrostatic properties of these systems are a key determinant for their orientational preferences. The results of this study can be applied in lead optimization for the improvement of stacking interactions, as it provides detailed energy landscapes for a wide range of coplanar heteroaromatic geometries. These energy landscapes can serve as a guide for ring replacement in structure-based drug design. PMID:24773380

  17. Nature and Magnitude of Aromatic Stacking of Nucleic Acid Bases

    SciTech Connect

    Sponer, Jiri; Riley, Kevin E.; Hobza, Pavel

    2008-04-07

    This review summarises recent advances in quantum chemical calculations of base-stacking forces in nucleic acids. We explain in detail the very complex relationship between the gas-phase basestacking energies, as revealed by quantum chemical (QM) calculations, and the highly variable roles of these interactions in nucleic acids. This issue is rarely discussed in quantum chemical and physical chemistry literature. We further extensively discuss methods that are available for basestacking studies, complexity of comparison of stacking calculations with gas phase experiments, balance of forces in stacked complexes of nucleic acid bases, and the relation between QM and force field descriptions. We also review all recent calculations on base-stacking systems, including details analysis of the B-DNA stacking. Specific attention is paid to the highest accuracy QM calculations, to the decomposition of the interactions, and development of dispersion-balanced DFT methods. Future prospects of computational studies of base stacking are discussed.

  18. Interaction of adriamycin with DNA as studied by resonance Raman spectroscopy.

    PubMed Central

    Manfait, M; Alix, A J; Jeannesson, P; Jardillier, J C; Theophanides, T

    1982-01-01

    Raman and resonance Raman spectra of the complex DNA-adriamycin in aqueous solution have been recorded and analysed. Calf thymus DNA was used and it is found that in the complex DNA-adriamycin the chromophore of adriamycin is intercalated in the GC sequences. The substituents on the rings give hydrogen bonding interactions with the base pairs above and below the intercalation site. It is suggested from the Raman and resonance Raman spectral modifications that the phenolic groups of the chromophore are involved in the drug-DNA intercalation, in addition to pi-pi, hydroxyl and amino group interactions. PMID:7111023

  19. Stochastic stacking without filters

    SciTech Connect

    Johnson, R.P.; Marriner, J.

    1982-12-01

    The rate of accumulation of antiprotons is a critical factor in the design of p anti p colliders. A design of a system to accumulate higher anti p fluxes is presented here which is an alternative to the schemes used at the CERN AA and in the Fermilab Tevatron I design. Contrary to these stacking schemes, which use a system of notch filters to protect the dense core of antiprotons from the high power of the stack tail stochastic cooling, an eddy current shutter is used to protect the core in the region of the stack tail cooling kicker. Without filters one can have larger cooling bandwidths, better mixing for stochastic cooling, and easier operational criteria for the power amplifiers. In the case considered here a flux of 1.4 x 10/sup 8/ per sec is achieved with a 4 to 8 GHz bandwidth.

  20. Stack filter classifiers

    SciTech Connect

    Porter, Reid B; Hush, Don

    2009-01-01

    Just as linear models generalize the sample mean and weighted average, weighted order statistic models generalize the sample median and weighted median. This analogy can be continued informally to generalized additive modeels in the case of the mean, and Stack Filters in the case of the median. Both of these model classes have been extensively studied for signal and image processing but it is surprising to find that for pattern classification, their treatment has been significantly one sided. Generalized additive models are now a major tool in pattern classification and many different learning algorithms have been developed to fit model parameters to finite data. However Stack Filters remain largely confined to signal and image processing and learning algorithms for classification are yet to be seen. This paper is a step towards Stack Filter Classifiers and it shows that the approach is interesting from both a theoretical and a practical perspective.

  1. Towards highly efficient red thermally activated delayed fluorescence materials by the control of intra-molecular π–π stacking interactions

    NASA Astrophysics Data System (ADS)

    Zhang, Yunge; Zhang, Dongdong; Cai, Minghan; Li, Yilang; Zhang, Deqiang; Qiu, Yong; Duan, Lian

    2016-03-01

    Thermally activated delayed fluorescence (TADF) materials have attracted much attention as they can achieve 100% theoretical internal quantum efficiency without using expensive noble metals. However, efficient red TADF emitters are hard to realize according to the energy gap law. Here, three donor-acceptor-donor type TADF emitters with the same acceptor of o-phthalodinitrile (PN) but different donors (9, 9-dimethyl-9, 10-dihydroacridine (DMAC), phenoxazine (PXZ), and phenothiazine (PTZ) for DMAC-PN, PXZ-PN, and PTZ-PN, respectively) have been synthesized, and it is observed that the performance of the emitters can be improved by reducing the intra-molecular π–π stacking. DMAC-PN with reduced intra-molecular π–π stacking shows a photoluminescence quantum yield (PLQY) of 20.2% in degassed toluene solution, much higher than those of PXZ-PN, and PTZ-PN (0.8%, 0.2%, respectively). An organic light-emitting diode (OLED) employing DMAC-PN doped into 4,4‧-bis(9H-carbazol-9-yl)biphenyl (CBP) as the emitting layer exhibits a maximum external quantum efficiency (EQE) of 10.2% with the emission peak at 564 nm. Moreover, when DMAC-PN is doped into a polar host, bis[2-(diphenylphosphino)phenyl] ether oxide (DPEPO), the OLED shows a large redshift of the emission maximum to 594 nm, while maintaining a peak EQE as high as 7.2%, indicating that efficient red TADF OLEDs can be fabricated by doping orange TADF emitters into hosts with proper polarity.

  2. Towards highly efficient red thermally activated delayed fluorescence materials by the control of intra-molecular π-π stacking interactions.

    PubMed

    Zhang, Yunge; Zhang, Dongdong; Cai, Minghan; Li, Yilang; Zhang, Deqiang; Qiu, Yong; Duan, Lian

    2016-03-01

    Thermally activated delayed fluorescence (TADF) materials have attracted much attention as they can achieve 100% theoretical internal quantum efficiency without using expensive noble metals. However, efficient red TADF emitters are hard to realize according to the energy gap law. Here, three donor-acceptor-donor type TADF emitters with the same acceptor of o-phthalodinitrile (PN) but different donors (9, 9-dimethyl-9, 10-dihydroacridine (DMAC), phenoxazine (PXZ), and phenothiazine (PTZ) for DMAC-PN, PXZ-PN, and PTZ-PN, respectively) have been synthesized, and it is observed that the performance of the emitters can be improved by reducing the intra-molecular π-π stacking. DMAC-PN with reduced intra-molecular π-π stacking shows a photoluminescence quantum yield (PLQY) of 20.2% in degassed toluene solution, much higher than those of PXZ-PN, and PTZ-PN (0.8%, 0.2%, respectively). An organic light-emitting diode (OLED) employing DMAC-PN doped into 4,4'-bis(9H-carbazol-9-yl)biphenyl (CBP) as the emitting layer exhibits a maximum external quantum efficiency (EQE) of 10.2% with the emission peak at 564 nm. Moreover, when DMAC-PN is doped into a polar host, bis[2-(diphenylphosphino)phenyl] ether oxide (DPEPO), the OLED shows a large redshift of the emission maximum to 594 nm, while maintaining a peak EQE as high as 7.2%, indicating that efficient red TADF OLEDs can be fabricated by doping orange TADF emitters into hosts with proper polarity. PMID:26821694

  3. Laser pulse stacking method

    DOEpatents

    Moses, Edward I. (Livermore, CA)

    1992-01-01

    A laser pulse stacking method is disclosed. A problem with the prior art has been the generation of a series of laser beam pulses where the outer and inner regions of the beams are generated so as to form radially non-synchronous pulses. Such pulses thus have a non-uniform cross-sectional area with respect to the outer and inner edges of the pulses. The present invention provides a solution by combining the temporally non-uniform pulses in a stacking effect to thus provide a more uniform temporal synchronism over the beam diameter.

  4. Laser pulse stacking method

    DOEpatents

    Moses, E.I.

    1992-12-01

    A laser pulse stacking method is disclosed. A problem with the prior art has been the generation of a series of laser beam pulses where the outer and inner regions of the beams are generated so as to form radially non-synchronous pulses. Such pulses thus have a non-uniform cross-sectional area with respect to the outer and inner edges of the pulses. The present invention provides a solution by combining the temporally non-uniform pulses in a stacking effect to thus provide a more uniform temporal synchronism over the beam diameter. 2 figs.

  5. An atomic force microcopy study of the mechanical and electricalproperties of monolayer films of molecules with aromatic end groups

    SciTech Connect

    Fang, Liang; Park, J.Y.; Ma, H.; Jen, A.K.-Y.; Salmeron, M.

    2007-09-06

    The effect of intermolecular {pi}-{pi} stacking on the electrical and mechanical properties of monolayer films molecules containing aromatic groups was studied using atomic force microscopy. Two types of aromatic molecules, (4-mercaptophenyl) anthrylacetylene (MPAA) and (4-mercaptophenyl)-phenylacetylene (MPPA) were used as model systems with different {pi}-{pi} stacking strength. Monolayer films of these molecules on Au(111) surfaces exhibited conductivities differing by more than one order of magnitude, MPAA being the most conductive and MPPA the least conductive. The response to compressive loads by the AFM tip was also found to be very different for both molecules. In MPAA films distinct molecular conductivity changes are observed upon mechanical perturbation. This effect however was not observed on the MPPA film, where intermolecular {pi}-{pi} interactions are likely weaker.

  6. STACK GAS REHEAT EVALUATION

    EPA Science Inventory

    The report gives results of technical and economic evaluations of stack gas reheat (SGR) following wet flue gas desulfurization (FGD) for coal-fired power plants. The evaluations were based on information from literature and a survey of FGD users, vendors, and architect/engineer ...

  7. Measurements of the branching fractions for B{sub (s)}{yields}D{sub (s)}{pi}{pi}{pi} and {Lambda}{sub b}{sup 0}{yields}{Lambda}{sub c}{sup +}{pi}{pi}{pi}

    SciTech Connect

    Aaij, R.; Bauer, Th.; Beuzekom, M. van; Carvalho Akiba, K.; Coco, V.; van Eijk, D.; Farinelli, C.; Heijne, V.; Hulsbergen, W.; Jans, E.; Jansen, F.; Koppenburg, P.; Kozlinskiy, A.; van Leerdam, J.; Merk, M.; Mous, I.; Oggero, S.; Pellegrino, A.; du Pree, T.; Storaci, B.

    2011-11-01

    Branching fractions of the decays H{sub b}{yields}H{sub c}{pi}{sup -}{pi}{sup +}{pi}{sup -} relative to H{sub b}{yields}H{sub c}{pi}{sup -} are presented, where H{sub b} (H{sub c}) represents B{sup 0} (D{sup +}), B{sup -} (D{sup 0}), B{sub s}{sup 0} (D{sub s}{sup +}), and {Lambda}{sub b}{sup 0} ({Lambda}{sub c}{sup +}). The measurements are performed with the LHCb detector using 35 pb{sup -1} of data collected at {radical}(s)=7 TeV. The ratios of branching fractions are measured to be [B(B{sup 0}{yields}D{sup +}{pi}{sup -}{pi}{sup +}{pi}{sup -})]/[B(B{sup 0}{yields}D{sup +}{pi}{sup -})]=2.38{+-}0.11{+-}0.21, [B(B{sup -}{yields}D{sup 0}{pi}{sup -}{pi}{sup +}{pi}{sup -})]/[B(B{sup -}{yields}D{sup 0}{pi}{sup -})]= 1.27{+-}0.06{+-}0.11, [B(B{sub s}{sup 0}{yields}D{sub s}{sup +}{pi}{sup -}{pi}{sup +}{pi}{sup -})]/[B(B{sub s}{sup 0}{yields}D{sub s}{sup +}{pi}{sup -})]=2.01{+-}0.37{+-}0.20, [B({Lambda}{sub b}{sup 0}{yields}{Lambda}{sub c}{sup +}{pi}{sup -} {pi}{sup +}{pi}{sup -})]/[B({Lambda}{sub b}{sup 0}{yields}{Lambda}{sub c}{sup +}{pi}{sup -})]=1.43{+-}0.16{+-}0.13 We also report measurements of partial decay rates of these decays to excited charm hadrons. These results are of comparable or higher precision than existing measurements.

  8. Dalitz Plot Analysis of B- -> D+ pi- pi-

    SciTech Connect

    Aubert, : B.

    2009-01-29

    The author reports on a Dalitz plot analysis of B{sup -} {yields} D{sup +}{pi}{sup -}{pi}{sup -} decays, based on a sample of about 383 million {Upsilon}(4S) {yields} B{bar B} decays collected with the BABAR detector at the PEP-II asymmetric-energy B Factory at SLAC. They find the total branching fraction of the three-body decay: {Beta}(B{sup -} {yields} D{sup +} {pi}{sup -}{pi}{sup -}) = (1.08 {+-} 0.01 {+-} 0.05) x 10{sup -3}. the masses and widths of D*{sub 2}{sup 0} and D*{sub 0}{sup 0}, the 2{sup +} and 0{sup +} c{bar u} P-wave states decaying to D{sup +}{pi}{sup -}, are measured: m{sub D*{sub 2}{sup 0}} = (2460.4 {+-} 1.2 {+-} 1.2 {+-} 1.9) MeV/c{sup 2}, {Lambda}{sub D*{sub 2}{sup 0}} = (41.8 {+-} 2.5 {+-} 2.1 {+-} 2.0) MeV, m{sub D*{sub 0}{sup 0}} = (2297 {+-} 8 {+-} 5 {+-} 19) MeV/c{sup 2} and {Lambda}{sub D*{sub 0}{sup 0}} = (273 {+-} 12 {+-} 17 {+-} 45) MeV. The stated errors reflect the statistical and systematic uncertainties, and the uncertainty related to the assumed composition of signal events and the theoretical model.

  9. Measurement of the Ratios of Branching Fractions B(Bs -> Ds pi pi pi) / B(Bd -> Dd pi pi pi) and B(Bs -> Ds pi) / B(Bd -> Dd pi)

    SciTech Connect

    Abulencia, A.; Adelman, J.; Affolder, T.; Akimoto, T.; Albrow, M.G.; Ambrose, D.; Amerio, S.; Amidei, D.; Anastassov, A.; Anikeev, K.; Annovi, A.; /Frascati /Taiwan, Inst. Phys.

    2006-10-01

    Using 355 pb{sup -1} of data collected by the CDF II detector in p{bar p} collisions at {radical}s = 1.96 TeV at the Fermilab Tevatron, they study the fully reconstructed hadronic decays B{sub (s)}{sup 0} {yields} D{sub (s)}{sup -}{pi}{sup +} and B{sub (s)}{sup 0} {yields} D{sub (s)}{sup -} {pi}{sup +}{pi}{sup +}{pi}{sup -}. They present the first measurement of the ratio of branching fractions {Beta}(B{sub s}{sup 0} {yields} D{sub s}{sup -}{pi}{sup +}{pi}{sup +}{pi}{sup -})/{Beta}(B{sup 0} {yields} D{sup -} {pi}{sup +}{pi}{sup +}{pi}{sup -}) = 1.05 {+-} 0.10(stat.) {+-} 0.22(syst.). They also update their measurement of {Beta}(B{sub s}{sup 0} {yields} D{sub s}{sup -} {pi}{sup +})/{Beta}(B{sup 0} {yields} D{sup -} {pi}{sup +}) to 1.13 {+-} 0.08(stat.) {+-} 0.23(syst.) improving the statistical uncertainty by more than a factor of two. They find {Beta}(B{sub s}{sup 0} {yields} D{sub s}{sup -} {pi}{sup +}) = [3.8 {+-} 0.3(stat.) {+-} 1.3(syst.)] x 10{sup -3} and {Beta}(B{sub s}{sup 0} {yields} D{sub s}{sup -} {pi}{sup +}{pi}{sup +}{pi}{sup -}) = [8.4 {+-} 0.8(stat.) {+-} 3.2(syst.)] x 10{sup -3}.

  10. 23. Brick coke quencher, brick stack, metal stack to right, ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    23. Brick coke quencher, brick stack, metal stack to right, coke gas pipe to left; in background, BOF building, limestone piles, Levy's Slag Dump. Looking north/northwest - Rouge Steel Company, 3001 Miller Road, Dearborn, Wayne County, MI

  11. ETR WASTE GAS STACK. ABOVE GROUND DUCTWORK AND ETR STACK, ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    ETR WASTE GAS STACK. ABOVE GROUND DUCTWORK AND ETR STACK, CLOSER VIEW. PERSONNEL LADDER AND CIRCULAR WORK PLATFORM MIDWAY UP STACK. CAMERA FACES NORTH. INL NEGATIVE NO. HD42-7-2. Mike Crane, Photographer, 3/2004 - Idaho National Engineering Laboratory, Test Reactor Area, Materials & Engineering Test Reactors, Scoville, Butte County, ID

  12. Coherent emission of light using stacked gratings

    NASA Astrophysics Data System (ADS)

    Gong, Yongkang; Liu, Xianliang; Li, Kang; Huang, Jungang; Martinez, J. J.; Rees-Whippey, Daniel; Carver, Sara; Wang, Leiran; Zhang, Wenfu; Duan, Tao; Copner, Nigel

    2013-05-01

    The possibility of temporally and spatially coherent thermal emission has been demonstrated utilizing stacked gratings. We demonstrate that the metallic grating with narrow air slit behaves like a homogeneous slab with large permittivity and small permeability and find that the interaction between the metallic grating and the Bragg grating gives rise to impendence matching at wavelengths located in the photonic band gap of the Bragg grating, which enables the stacked gratings to perform high emission with ultranarrow spectrum and antenna-like spatial response. This paves the way towards the design of a novel infrared source platform for applications such as thermal analysis, imaging, security, biosensing, and medical diagnoses.

  13. Nonlinearly stacked low noise turbofan stator

    NASA Technical Reports Server (NTRS)

    Schuster, William B. (Inventor); Kontos, Karen B. (Inventor); Weir, Donald S. (Inventor); Nolcheff, Nick A. (Inventor); Gunaraj, John A. (Inventor)

    2009-01-01

    A nonlinearly stacked low noise turbofan stator vane having a characteristic curve that is characterized by a nonlinear sweep and a nonlinear lean is provided. The stator is in an axial fan or compressor turbomachinery stage that is comprised of a collection of vanes whose highly three-dimensional shape is selected to reduce rotor-stator and rotor-strut interaction noise while maintaining the aerodynamic and mechanical performance of the vane. The nonlinearly stacked low noise turbofan stator vane reduces noise associated with the fan stage of turbomachinery to improve environmental compatibility.

  14. Review of Stack CSP Technologies

    NASA Technical Reports Server (NTRS)

    Ghaffarian, R.

    1999-01-01

    CSP is an emerging technology with significant potential growth in stacking. Many of the stacking techniques for conventional packages could be implemented for CSP once materials, process, and system development for finer features are developed.

  15. Search for D0--anti-D0 Mixing in the Decays D0 --> K+ pi- pi+ pi-

    SciTech Connect

    Aubert, B.

    2006-09-26

    We present a search for D{sup 0}-{bar D}{sup 0} mixing in the decays D{sup 0} {yields} K{sup +}{pi}{sup -}{pi}{sup +}{pi}{sup -} using 230.4 fb{sup -1} of data collected with the BABAR detector at the PEP-II e{sup +}e{sup -} collider at SLAC. Assuming CP conservation, we measure the time-integrated mixing rate R{sub M} = (0.019{sub -0.015}{sup +0.016}(stat.) {+-} 0.002(syst.))%, and R{sub M} < 0.048% at the 95% confidence level. Using a frequentist method, we estimate that the data are consistent with no mixing at the 4.3% confidence level. We present results both with and without the assumption of CP conservation. By combining the value of R{sub M} from this analysis with that obtained from an analysis of the decays D{sup 0} {yields} K{sup +}{pi}{sup -}{pi}{sup 0}, we find R{sub M} = (0.020{sub -0.010}{sup +0.011})%, where the uncertainty is statistical only. We determine the upper limit R{sub M} < 0.042% at the 95% confidence level, and we find the combined data are consistent with the no-mixing hypothesis at the 2.1% confidence level.

  16. Amplitude Analysis of the Decay $D_s^+ \\to \\pi^+ \\pi^- \\pi^+$ in the Experiment E831/FOCUS

    SciTech Connect

    Schilithz, Anderson Correa; ,

    2005-01-01

    We present in this thesis the Dalitz Plot analysis of the D{sub s}{sup +} {yields} {pi}{sup +}{pi}{sup -}{pi}{sup +} decay, with the data of the E831/FOCUS, that took data in 1996 and 1997. The masses and widhts of f{sub 0}(980) and f{sub 0}(1370) are free parametres of the fit on Dalitz Plot, objectiving to study in detail these resonances. After this analysis we present the Spectator Model study on the S wave in this decay. For this study we used the formalism developed by M. Svec [2] for scattering. We present the comparison between the Isobar Model, frequently used in Dalitz Plot analysis, and this formalism.

  17. Measurement of the Branching Fraction and Decay Rate Asymmetry of B to D_pi+ pi- pi0 K-

    SciTech Connect

    Aubert, B.; Barate, R.; Boutigny, D.; Couderc, F.; Karyotakis, Y.; Lees, J.P.; Poireau, V.; Tisserand, V.; Zghiche, A.; Grauges, E.; Palano, A.; Pappagallo, M.; Pompili, A.; Chen, J.C.; Qi, N.D.; Rong, G.; Wang, P.; Zhu, Y.S.; Eigen, G.; Ofte, I.; Stugu, B. /Bergen U. /LBL, Berkeley /UC, Berkeley /Birmingham U. /Ruhr U., Bochum /Bristol U. /British Columbia U. /Brunel U. /Novosibirsk, IYF /UC, Irvine /UCLA /UC, Riverside /UC, San Diego /UC, Santa Barbara /UC, Santa Cruz /Caltech /Cincinnati U. /Colorado U. /Colorado State U. /Dortmund U. /Dresden, Tech. U. /Ecole Polytechnique /Edinburgh U. /Ferrara U. /INFN, Ferrara /Frascati /Genoa U. /INFN, Genoa /Harvard U. /Heidelberg U. /Imperial Coll., London /Iowa U. /Iowa State U. /Orsay, LAL /LLNL, Livermore /Liverpool U. /Queen Mary, U. of London /Royal Holloway, U. of London /Louisville U. /Manchester U. /Maryland U. /Massachusetts U., Amherst /MIT, LNS /McGill U. /Milan U. /INFN, Milan /Mississippi U. /Montreal U. /Mt. Holyoke Coll. /Naples U. /INFN, Naples /NIKHEF, Amsterdam /Notre Dame U. /Ohio State U. /Oregon U. /Padua U. /INFN, Padua /Paris U., VI-VII /Pennsylvania U. /Perugia U. /INFN, Perugia /Pisa U. /INFN, Pisa /Prairie View A-M /Princeton U. /Rome U. /INFN, Rome /Rostock U. /Rutherford /DAPNIA, Saclay /South Carolina U. /SLAC /Oregon U. /SLAC /SLAC /Stanford U., Phys. Dept. /SUNY, Stony Brook /Tennessee U. /Texas U. /Texas U., Dallas /Turin U. /INFN, Turin /Trieste U. /INFN, Trieste /Valencia U., IFIC /Vanderbilt U. /Victoria U. /Warwick U. /Wisconsin U., Madison /Yale U.

    2005-06-10

    The authors report the observation of the decay B{sup -} {yields} D{sub {pi}{sup +}{pi}{sup -}{pi}{sup 0}}K{sup -}, where D{sub {pi}{sup +}{pi}{sup -}{pi}{sup 0}} indicates a neutral D meson detected in the final state {pi}{sup +}{pi}{sup -}{pi}{sup 0}, excluding K{sub S}{sup 0}{pi}{sup 0}. This doubly Cabibbo-suppressed decay chain can be used to measure the CKM phase {gamma}. Using about 229 million e{sup +}e{sup -} {yields} B{bar B} events recorded by the BABAR experiment at the PEP-II e{sup +}e{sup -} storage ring, they measure the branching fraction {Beta}(B{sup -} {yields} D{sub {pi}{sup +}{pi}{sup -}{pi}{sup 0}K{sup -}}) = (5.5 {+-} 1.0 (stat.) {+-} 0.7 (syst.)) x 10{sup -6} and the decay rate asymmetry A = -0.02 {+-} 0.16 (stat.) {+-} 0.03 (syst.) for the full decay chain.

  18. The Search for Exotic Mesons in gamma p -> pi+pi+pi-n with CLAS at Jefferson Lab

    SciTech Connect

    Craig Bookwalter

    2011-12-01

    The {pi}{sub 1}(1600), a J{sup PC} = 1{sup {-+}} exotic meson has been observed by experiments using pion beams. Theorists predict that photon beams could produce gluonic hybrid mesons, of which the {pi}{sub 1}(1600) is a candidate, at enhanced levels relative to pion beams. The g12 rungroup at Jefferson Lab's CEBAF Large Acceptance Spectrometer (CLAS) has recently acquired a large photoproduction dataset, using a liquid hydrogen target and tagged photons from a 5.71 GeV electron beam. A partial-wave analysis of 502K {gamma}p {yields} {pi}{sup +}{pi}{sup +}{pi}{sup -}n events selected from the g12 dataset has been performed, and preliminary fit results show strong evidence for well-known states such as the a{sub 1}(1260), a{sub 2}(1320), and {pi}{sub 2}(1670). However, we observe no evidence for the production of the {pi}{sub 1}(1600) in either the partial-wave intensities or the relative complex phase between the 1{sup {-+}} and the 2{sup {-+}} (corresponding to the {pi}{sub 2}) partial waves.

  19. Energy Expenditure of Sport Stacking

    ERIC Educational Resources Information Center

    Murray, Steven R.; Udermann, Brian E.; Reineke, David M.; Battista, Rebecca A.

    2009-01-01

    Sport stacking is an activity taught in many physical education programs. The activity, although very popular, has been studied minimally, and the energy expenditure for sport stacking is unknown. Therefore, the purposes of this study were to determine the energy expenditure of sport stacking in elementary school children and to compare that value…

  20. Energy Expenditure of Sport Stacking

    ERIC Educational Resources Information Center

    Murray, Steven R.; Udermann, Brian E.; Reineke, David M.; Battista, Rebecca A.

    2009-01-01

    Sport stacking is an activity taught in many physical education programs. The activity, although very popular, has been studied minimally, and the energy expenditure for sport stacking is unknown. Therefore, the purposes of this study were to determine the energy expenditure of sport stacking in elementary school children and to compare that value…

  1. Iridium Interfacial Stack (IRIS)

    NASA Technical Reports Server (NTRS)

    Spry, David James (Inventor)

    2015-01-01

    An iridium interfacial stack ("IrIS") and a method for producing the same are provided. The IrIS may include ordered layers of TaSi.sub.2, platinum, iridium, and platinum, and may be placed on top of a titanium layer and a silicon carbide layer. The IrIS may prevent, reduce, or mitigate against diffusion of elements such as oxygen, platinum, and gold through at least some of its layers.

  2. Structural consequences of anionic host-cationic guest interactions in a supramolecular assembly.

    PubMed

    Pluth, Michael D; Johnson, Darren W; Szigethy, Géza; Davis, Anna V; Teat, Simon J; Oliver, Allen G; Bergman, Robert G; Raymond, Kenneth N

    2009-01-01

    The molecular structure of the spontaneously assembled supramolecular cluster [M(4)L(6)](n-) has been explored with different metals (M = Ga(III), Fe(III), Ti(IV)) and different encapsulated guests (NEt(4)(+), BnNMe(3)(+), Cp(2)Co(+), Cp*(2)Co(+)) by X-ray crystallography. While the identity of the metal ions at the vertices of the M(4)L(6) structure is found to have little effect on the assembly structure, encapsulated guests significantly distort the size and shape of the interior cavity of the assembly. Cations on the exterior of the assembly are found to interact with the assembly through either pi-pi, cation-pi, or CH-pi interactions. In some cases, the exterior guests interact with only one assembly, but cations with the ability to form multiple pi-pi interactions are able to interact with adjacent assemblies in the crystal lattice. The solvent accessible cavity of the assembly is modeled using the rolling probe method and found to range from 253-434 A(3), depending on the encapsulated guest. On the basis of the volume of the guest and the volume of the cavity, the packing coefficient for each host-guest complex is found to range from 0.47-0.67. PMID:19053347

  3. Structural Consequences of Anionic Host-Cationic Guest Interactions in a Supramolecular Assembly

    SciTech Connect

    Pluth, Michael D.; Johnson, Darren W.; Szigethy, Geza; Davis, Anna V.; Teat, Simon J.; Oliver, Allen G.; Bergman, Robert G.; Raymond, Kenneth N.

    2008-07-09

    The molecular structure of the self-assembled supramolecular assembly [M{sub 4}L{sub 6}]{sup 12-} has been explored with different metals (M = Ga{sup III}, Fe{sup III}, Ti{sup IV}) and different encapsulated guests (NEt{sub 4}{sup +}, BnNMe{sub 3}{sup +}, Cp{sub 2}Co{sup +}, Cp*{sub 2}Co{sup +}) by X-ray crystallography. While the identity of the metal ions at the vertices of the M{sub 4}L{sub 6} structure is found to have little effect on the assembly structure, encapsulated guests significantly distort the size and shape of the interior cavity of the assembly. Cations on the exterior of the assembly are found to interact with the assembly through either {pi}-{pi}, cation-{pi}, or CH-{pi} interactions. In some cases, the exterior guests interact with only one assembly, but cations with the ability to form multiple {pi}-{pi} interactions are able to interact with adjacent assemblies in the crystal lattice. The solvent accessible cavity of the assembly is modeled using the rolling probe method and found to range from 253-434 {angstrom}{sup 3}, depending on the encapsulated guest. Based on the volume of the guest and the volume of the cavity, the packing coefficient for each host-guest complex is found to range from 0.47-0.67.

  4. A free energy analysis of nucleic acid base stacking in aqueous solution.

    PubMed Central

    Friedman, R A; Honig, B

    1995-01-01

    This paper reports a theoretical study of the free energy contributions to nucleic acid base stacking in aqueous solution. Electrostatic interactions are treated by using the finite difference Poisson-Boltzmann method and nonpolar effects are treated with explicit calculation of van der Waals interactions and/or free energy-surface area relationships. Although for some pairs of bases there is a favorable Coulombic interaction in the stacked conformation, generally the net effect of electrostatic interactions is to oppose stacking. This result is caused by the loss of favorable base-solvent electrostatic interactions, that accompany the partial removal of polar atoms from water in the stacked conformation. Nonpolar interactions, involving the hydrophobic effect and enhancement of van der Waals interactions caused by close-packing, drive stacking. The calculations qualitatively reproduce the experimental dependence of stacking free energy on purine-pyrimidine composition. Images FIGURE 1 PMID:8534823

  5. Barrier RF stacking

    SciTech Connect

    Weiren Chou and Akira Takagi

    2003-02-24

    This paper introduces a new method for stacking beams in the longitudinal phase space. It uses RF barriers to confine and compress beams in an accelerator, provided that the machine momentum acceptance is a few times larger than the momentum spread of the injected beam. This is the case for the Fermilab Main Injector. A barrier RF system employing Finemet cores and high-voltage solid-state switches is under construction. The goal is to double the number of protons per cycle on the production target for Run2 and NuMI experiments.

  6. The role of intermolecular interactions in the assemblies of Fe{sup II} and Co{sup II} tetrakis-isothiocyanatometalates with tris(1,10-phenanthroline)-Ru{sup II}: Crystal structures of two dual-metal assemblies featuring octahedral cationic and tetrahedral anionic modules

    SciTech Connect

    Ghazzali, Mohamed Langer, Vratislav; Ohrstroem, Lars

    2008-09-15

    Two new dual-metal assemblies: 2[Ru(phen){sub 3}]{sup 2+}.[Fe(SCN){sub 4}]{sup 2-}.2SCN{sup -}.4H{sub 2}O 1 and [Ru(phen){sub 3}]{sup 2+}.[Co(SCN){sub 4}]{sup 2-}2, (phen:1,10-phenanthroline), have been prepared and their structures were characterized by X-ray diffraction. In 1, the cationic octahedral enantiomers are arranged with a {lambda}{delta}{lambda}{delta}{lambda} sequence supported by {pi}-{pi} stacking and the anionic inorganic tetrahedral units are oriented between these stacks by interacting with the nearby water molecules through strong O-H...O and O-H...S hydrogen bonds. In 2, homochiral double helices in the b-direction are revealed, with tetrakis-isothiocyanate Co{sup II} anions arranged in the crystal to furnish one-dimensional (1D)-helical chains with S...S intermolecular interactions at 3.512(2) and 3.966(2) A supporting [Ru(phen){sub 3}]{sup 2+}{lambda}- and {delta}-helices with Ru...Ru shortest distance of 8.676(7) A. In both 1 and 2, the supramolecular assembly is maintained by C-H...S hydrogen bonds extending between the phenanthroline aromatic carbons in the cationic nodes and the sulphur atoms of the isothiocyanates anions. Analysis of S...S interactions in isothiocyanate containing compounds using Cambridge structural database (CSD) showed an angle dependence categorizing these interactions into 'type-I' and 'type-II'. - Graphical abstract: Side projection in 2 showing the crankshaft caused by S...S interactions in [Co(NCS){sub 4}]{sup 2-} in-between [Ru{sup II}(phen){sub 3}]{sup 2+} helices. Only isothiocyanates arms of [Co(NCS){sub 4}]{sup 2-} that are part of S...S interactions are shown and [Ru{sup II}(phen){sub 3}]{sup 2+} are presented as polyhedra.

  7. Preparation and Characterization of [pi]-Stacking Quinodimethane Oligothiophenes. Predicting Semiconductor Behavior and Bandwidths from Crystal Structures and Molecular Orbital Calculations

    SciTech Connect

    Janzen, Daron E.; Burand, Michael W.; Ewbank, Paul C.; Pappenfus, Ted M.; Higuchi, Hiroyuki; da Silva, Demetrio A.; Young, Victor G.; Bredas, Jean-Luc; Mann, Kent R.

    2010-11-16

    A series of new quinodimethane-substituted terthiophene and quaterthiophene oligomers has been investigated for comparison with a previously studied quinoid oligothiophene that has demonstrated high mobilities and ambipolar transport behavior in thin-film transistor devices. Each new quinoidal thiophene derivative shows a reversible one-electron oxidation between 0.85 and 1.32 V, a quasi-reversible one-electron second oxidation between 1.37 and 1.96 V, and a reversible two-electron reduction between -0.05 and -0.23 V. The solution UV-vis-NIR spectrum of each compound is dominated by an intense epsilon congruent with 100,000 M{sup -1} cm{sup -1} low energy pi-pi transition that has a lambda(max) ranging between 648 and 790 nm. All X-ray crystal structures exhibit very planar quinoidal backbones and short intermolecular pi-stacking distances (3.335-3.492 A). Structures exhibit a single pi-stacking distance with parallel cofacial stacking (sulfur atoms of equivalent rings pointed in the same direction) or with alternating distances and antiparallel cofacial stacking (sulfur atoms of equivalent rings pointed in the opposite direction). Examples of the layered and herringbone-packing motifs are observed for both the parallel and the antiparallel cofacial stacking. Analysis of the X-ray structures and molecular orbital calculations indicates that all of these compounds have one-dimensional electronic band structures as a result of the pi-stacking. For structures with a unique pi-stacking distance, a simple geometric overlap parameter calculated from the shape of the molecule and the slip from perfect registry in the pi-stack correlates well with the transfer integrals (t) calculated using molecular orbital theory. The calculated valence (633 meV) and conduction (834 meV) bandwidths for a quinoid quaterthiophene structure are similar to those calculated for the benchmark pentacene and indicate that both hole and electron mobilities could be significant.

  8. MP2 and CCSD(T) study on hydrogen bonding, aromatic stacking and nonaromatic stacking

    NASA Astrophysics Data System (ADS)

    Šponer, J.; Hobza, P.

    1997-03-01

    Three groups of molecular clusters were studied using the coupled cluster method with non-iterative triple excitations (CCSD(T)) and the second-order Møller-Plesset perturbational method (MP2): H-bonded DNA base pairs ((cytosine) 2, (isocytosine) 2 and (uracil) 2), aromatic stacked complexes ((pyrrol) 2, (pyrimidine) 2, (triazine) 2, (aminotriazine) 2, (4-aminopyrimidine) 2 and (1-aminopyrimidine) 2) and cyclic H-bonded and stacked (formamide) 2 and (formamidine) 2 dimers. The higher-order correlation energy contributions are repulsive in all aromatic stacked clusters, while for all other systems the CCSD(T) and MP2 methods provide nearly identical results. The interaction energies of stacked complexes converge with the size of basis set much faster than the interaction energies of H-bonded clusters. It follows from the present data that the stacking energies of nucleic acid base pairs, evaluated at the MP2 level with diffuse-polarized medium-sized basis sets should be close to the actual values. The stabilization of H-bonded base pairs evaluated at the same level of theory is expected to be underestimated.

  9. Stacked Extreme Learning Machines.

    PubMed

    Zhou, Hongming; Huang, Guang-Bin; Lin, Zhiping; Wang, Han; Soh, Yeng Chai

    2015-09-01

    Extreme learning machine (ELM) has recently attracted many researchers' interest due to its very fast learning speed, good generalization ability, and ease of implementation. It provides a unified solution that can be used directly to solve regression, binary, and multiclass classification problems. In this paper, we propose a stacked ELMs (S-ELMs) that is specially designed for solving large and complex data problems. The S-ELMs divides a single large ELM network into multiple stacked small ELMs which are serially connected. The S-ELMs can approximate a very large ELM network with small memory requirement. To further improve the testing accuracy on big data problems, the ELM autoencoder can be implemented during each iteration of the S-ELMs algorithm. The simulation results show that the S-ELMs even with random hidden nodes can achieve similar testing accuracy to support vector machine (SVM) while having low memory requirements. With the help of ELM autoencoder, the S-ELMs can achieve much better testing accuracy than SVM and slightly better accuracy than deep belief network (DBN) with much faster training speed. PMID:25361517

  10. Asymmetric Flexible Supercapacitor Stack

    NASA Astrophysics Data System (ADS)

    Leela Mohana Reddy, A.; Estaline Amitha, F.; Jafri, Imran; Ramaprabhu, S.

    2008-04-01

    Electrical double layer supercapacitor is very significant in the field of electrical energy storage which can be the solution for the current revolution in the electronic devices like mobile phones, camera flashes which needs flexible and miniaturized energy storage device with all non-aqueous components. The multiwalled carbon nanotubes (MWNTs) have been synthesized by catalytic chemical vapor deposition technique over hydrogen decrepitated Mischmetal (Mm) based AB3 alloy hydride. The polymer dispersed MWNTs have been obtained by insitu polymerization and the metal oxide/MWNTs were synthesized by sol-gel method. Morphological characterizations of polymer dispersed MWNTs have been carried out using scanning electron microscopy (SEM), transmission electron microscopy (TEM and HRTEM). An assymetric double supercapacitor stack has been fabricated using polymer/MWNTs and metal oxide/MWNTs coated over flexible carbon fabric as electrodes and nafion® membrane as a solid electrolyte. Electrochemical performance of the supercapacitor stack has been investigated using cyclic voltammetry, galvanostatic charge-discharge, and electrochemical impedance spectroscopy.

  11. Can Dispersion Forces Govern Aromatic Stacking in an Organic Solvent?

    PubMed

    Yang, Lixu; Brazier, John B; Hubbard, Thomas A; Rogers, David M; Cockroft, Scott L

    2016-01-01

    Experimental support for the dominance of van der Waals dispersion forces in aromatic stacking interactions occurring in organic solution is surprisingly limited. The size-dependence of aromatic stacking in an organic solvent was examined. The interaction energy was found to vary by about 7.5 kJ mol(-1) on going from a phenyl-phenyl to an anthracene-pyrene stack. Strikingly, the experimental data were highly correlated with dispersion energies determined using symmetry-adapted perturbation theory (SAPT), while the induction, exchange, electrostatic, and solvation energy components correlated poorly. Both the experimental data and the SAPT-dispersion energies gave high-quality correlations with the change in solvent accessible area upon complexation. Thus, the size-dependence of aromatic stacking interactions is consistent with the dominance of van der Waals dispersion forces even in the presence of a competing polarizable solvent. PMID:26632979

  12. Photoresponse of double-stacked graphene to Infrared radiation.

    PubMed

    Gowda, Prarthana; Mohapatra, Dipti R; Misra, Abha

    2015-10-14

    We report the photoresponse of stacked graphene layers towards infrared radiation. Graphene is stacked in two configurations, namely, crossed and parallel layers. Raman analysis demonstrated a strong interaction among the stacked graphene layers. Graphene in the crossed configuration exhibited the presence of both negative and positive conductivities; however, other configurations of graphene exhibited positive conductivity only. The presence of negative photoconductivity is proposed to be due to oxygen or oxygen-related functional group absorbents that are trapped in between two monolayers of graphene and act as scattering centers for free carriers. An interesting trend is reported in differential conductivity when stacked layers are compared with multilayers and parallel-stacked graphene layers. PMID:26355471

  13. Thermoacoustic pin stacks. Summary report

    SciTech Connect

    Keolian, R.M.

    1994-07-06

    The construction and testing of a new stack geometry for thermoacoustic engines, called a pin stack, has been started. The stack is at the heart of a class of heat engines that use sound to deliver refrigeration, or use a temperature difference to generate sound. Calculations show that the pin stack should make useful improvements in engine efficiency. About 2000 wires will be hand sewn in a hexagonal lattice between the hot and cold heat exchangers in a sound source using low pressure neon gas between 300 K and 77 K. Thermoacoustics, Refrigeration, Acoustic source, Heat pump.

  14. Stacked insulator induction accelerator gaps

    SciTech Connect

    Houck, T.I.; Westenskow, G.A.; Kim, J.S.; Eylon, S.; Henestroza, E.; Yu, S.S.; Vanecek, D.

    1997-05-01

    Stacked insulators, with alternating layers of insulating material and conducting film, have been shown to support high surface electrical field stresses. We have investigated the application of the stacked insulator technology to the design of induction accelerator modules for the Relativistic-Klystron Two-Beam Accelerator program. The rf properties of the accelerating gaps using stacked insulators, particularly the impedance at frequencies above the beam pipe cutoff frequency, are investigated. Low impedance is critical for Relativistic-Klystron Two-Beam Accelerator applications where a high current, bunched beam is trsnsported through many accelerating gaps. An induction accelerator module designs using a stacked insulator is presented.

  15. Stack Trace Analysis Tool

    SciTech Connect

    2013-02-19

    STAT is a light weight debugging tool that gathers and merges stack traces from all of the processes in a parallell application. STAT uses the MRNet tree based overlay network to broadcast commands from the tool front-end to the STAT daemons and for the front-end to gather the traces from the STAT daemons. As the traces propagate through the MRNet network tree, they are merged across all tasks to from a single call prefix tree. The call prefix tree can be examined to identify tasks with similar function call patterns and to delineate a small set of equivalence slasses. A representative task from each of these classes can then be fed into a full feature debugger like TotalView for root cause analysis.

  16. The LSST Software Stack

    NASA Astrophysics Data System (ADS)

    Jenness, Timothy; LSST Data Management Team

    2016-01-01

    The Large Synoptic Survey Telescope (LSST) is an 8-m optical ground-based telescope being constructed on Cerro Pachon in Chile. LSST will survey half the sky every few nights in six optical bands. The data will be transferred to the data center in North America and within 60 seconds it will be reduced using difference imaging and an alert list be generated for the community. Additionally, annual data releases will be constructed from all the data during the 10-year mission, producing catalogs and deep co-added images with unprecedented time resolution for such a large region of sky. In the paper we present the current status of the LSST stack including the data processing components, Qserv database and data visualization software, describe how to obtain it, and provide a summary of the development road map.

  17. Stack Trace Analysis Tool

    Energy Science and Technology Software Center (ESTSC)

    2008-01-16

    STAT is a light weight debugging tool that gathers and merges stack traces from all of the processes in a parallel application. STAT uses the MRNet free based overlay network to broadcast commands from the tool front-end to the STAT daemons and for the front-end to gather the traces from the STAT daemons. As the traces propagate through the MRNet network tree, they are merged across all tasks to form a single call prefix tree.more »The call prefix tree can be examined to identify tasks with similar function call patterns and to delineate a small set of equivalence classes. A representative task from each of these classes can then be fed into a full feature debugger like TotalView for root cause analysis.« less

  18. Stack Trace Analysis Tool

    Energy Science and Technology Software Center (ESTSC)

    2013-02-19

    STAT is a light weight debugging tool that gathers and merges stack traces from all of the processes in a parallell application. STAT uses the MRNet tree based overlay network to broadcast commands from the tool front-end to the STAT daemons and for the front-end to gather the traces from the STAT daemons. As the traces propagate through the MRNet network tree, they are merged across all tasks to from a single call prefix tree.more »The call prefix tree can be examined to identify tasks with similar function call patterns and to delineate a small set of equivalence slasses. A representative task from each of these classes can then be fed into a full feature debugger like TotalView for root cause analysis.« less

  19. Zigzag stacks and m-regular linear stacks.

    PubMed

    Chen, William Y C; Guo, Qiang-Hui; Sun, Lisa H; Wang, Jian

    2014-12-01

    The contact map of a protein fold is a graph that represents the patterns of contacts in the fold. It is known that the contact map can be decomposed into stacks and queues. RNA secondary structures are special stacks in which the degree of each vertex is at most one and each arc has length of at least two. Waterman and Smith derived a formula for the number of RNA secondary structures of length n with exactly k arcs. Höner zu Siederdissen et al. developed a folding algorithm for extended RNA secondary structures in which each vertex has maximum degree two. An equation for the generating function of extended RNA secondary structures was obtained by Müller and Nebel by using a context-free grammar approach, which leads to an asymptotic formula. In this article, we consider m-regular linear stacks, where each arc has length at least m and the degree of each vertex is bounded by two. Extended RNA secondary structures are exactly 2-regular linear stacks. For any m ≥ 2, we obtain an equation for the generating function of the m-regular linear stacks. For given m, we deduce a recurrence relation and an asymptotic formula for the number of m-regular linear stacks on n vertices. To establish the equation, we use the reduction operation of Chen, Deng, and Du to transform an m-regular linear stack to an m-reduced zigzag (or alternating) stack. Then we find an equation for m-reduced zigzag stacks leading to an equation for m-regular linear stacks. PMID:25455155

  20. Assessing Elementary Algebra with STACK

    ERIC Educational Resources Information Center

    Sangwin, Christopher J.

    2007-01-01

    This paper concerns computer aided assessment (CAA) of mathematics in which a computer algebra system (CAS) is used to help assess students' responses to elementary algebra questions. Using a methodology of documentary analysis, we examine what is taught in elementary algebra. The STACK CAA system, http://www.stack.bham.ac.uk/, which uses the CAS…

  1. Weak C-H···O and C-H···? hydrogen bonds and ?-? stacking interactions in a series of four N'-[(E)-(aryl)methylidene]-N-methyl-2-oxo-1,3-oxazolidine-4-carbohydrazides.

    PubMed

    Nogueira, Thais C M; Pinheiro, Alessandra C; Wardell, James L; de Souza, Marcus V N; Abberley, Jordan P; Harrison, William T A

    2015-08-01

    Oxazolidin-2-ones are widely used as protective groups for 1,2-amino alcohols and chiral derivatives are employed as chiral auxiliaries. The crystal structures of four differently substituted oxazolidinecarbohydrazides, namely N'-[(E)-benzylidene]-N-methyl-2-oxo-1,3-oxazolidine-4-carbohydrazide, C12H12N3O3, (I), N'-[(E)-2-chlorobenzylidene]-N-methyl-2-oxo-1,3-oxazolidine-4-carbohydrazide, C12H12ClN3O3, (II), (4S)-N'-[(E)-4-chlorobenzylidene]-N-methyl-2-oxo-1,3-oxazolidine-4-carbohydrazide, C12H12ClN3O3, (III), and (4S)-N'-[(E)-2,6-dichlorobenzylidene]-N,3-dimethyl-2-oxo-1,3-oxazolidine-4-carbohydrazide, C13H13Cl2N3O3, (IV), show that an unexpected mild-condition racemization from the chiral starting materials has occurred in (I) and (II). In the extended structures, the centrosymmetric phases, which each crystallize with two molecules (A and B) in the asymmetric unit, form A+B dimers linked by pairs of N-H···O hydrogen bonds, albeit with different O-atom acceptors. One dimer is composed of one molecule with an S configuration for its stereogenic centre and the other with an R configuration, and possesses approximate local inversion symmetry. The other dimer consists of either R,R or S,S pairs and possesses approximate local twofold symmetry. In the chiral structure, N-H···O hydrogen bonds link the molecules into C(5) chains, with adjacent molecules related by a 21 screw axis. A wide variety of weak interactions, including C-H···O, C-H···Cl, C-H···? and ?-? stacking interactions, occur in these structures, but there is little conformity between them. PMID:26243408

  2. 49 CFR 178.815 - Stacking test.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 49 Transportation 3 2013-10-01 2013-10-01 false Stacking test. 178.815 Section 178.815... Stacking test. (a) General. The stacking test must be conducted for the qualification of all IBC design types intended to be stacked. (b) Special preparation for the stacking test. (1) All IBCs...

  3. Ribosomes in a Stacked Array

    PubMed Central

    Yamashita, Yui; Kadokura, Yoshitomo; Sotta, Naoyuki; Fujiwara, Toru; Takigawa, Ichigaku; Satake, Akiko; Onouchi, Hitoshi; Naito, Satoshi

    2014-01-01

    Expression of CGS1, which codes for an enzyme of methionine biosynthesis, is feedback-regulated by mRNA degradation in response to S-adenosyl-l-methionine (AdoMet). In vitro studies revealed that AdoMet induces translation arrest at Ser-94, upon which several ribosomes stack behind the arrested one, and mRNA degradation occurs at multiple sites that presumably correspond to individual ribosomes in a stacked array. Despite the significant contribution of stacked ribosomes to inducing mRNA degradation, little is known about the ribosomes in the stacked array. Here, we assigned the peptidyl-tRNA species of the stacked second and third ribosomes to their respective codons and showed that they are arranged at nine-codon intervals behind the Ser-94 codon, indicating tight stacking. Puromycin reacts with peptidyl-tRNA in the P-site, releasing the nascent peptide as peptidyl-puromycin. This reaction is used to monitor the activity of the peptidyltransferase center (PTC) in arrested ribosomes. Puromycin reaction of peptidyl-tRNA on the AdoMet-arrested ribosome, which is stalled at the pre-translocation step, was slow. This limited reactivity can be attributed to the peptidyl-tRNA occupying the A-site at this step rather than to suppression of PTC activity. In contrast, puromycin reactions of peptidyl-tRNA with the stacked second and third ribosomes were slow but were not as slow as pre-translocation step ribosomes. We propose that the anticodon end of peptidyl-tRNA resides in the A-site of the stacked ribosomes and that the stacked ribosomes are stalled at an early step of translocation, possibly at the P/E hybrid state. PMID:24652291

  4. Design evolution for stacked clarifiers

    SciTech Connect

    Getter, R.; Takach, D.; Moulton, P.; White, N.; Driscoll, B.

    1998-07-01

    While stacked rectangular clarifiers have been used for decades in Japan, use of the technology for wastewater treatment in the US and other countries is a relatively new development. With common wall construction, stacked clarifiers require less land than comparable single-level clarifiers and therefore, offer significant space saving advantages for constrained sites. Early use of this technology in the US included Manaroneck, New York and Boston, Massachusetts Deer Island treatment plants, which have been operating since 1993 and 1995, respectfully. Stacked clarifiers re also part of new wastewater facilities under construction in Singapore.

  5. [2,5-Bis(2,2'-bipyridyl-6-yl)-3,4-diazahexa-2,4-diene]dichloridomanganese(II): from a mononuclear compound to a three-dimensional supramolecular framework through C-H···Cl hydrogen bonds and ?-? stacking interactions.

    PubMed

    Lu, Zhengliang; Zhao, Yuanchao; Chen, Baolian; Huang, Ximing; Fan, Chunhua

    2014-07-01

    The title compound, [MnCl2(C24H20N6)], has been synthesized and characterized based on the multifunctional ligand 2,5-bis(2,2'-bipyridyl-6-yl)-3,4-diazahexa-2,4-diene (L). The Mn(II) centre is five-coordinate with an approximately square-pyramidal geometry. The L ligand acts as a tridendate chelating ligand. The mononuclear molecules are bridged into a one-dimensional chain by two C-H···Cl hydrogen bonds. These chains are assembled into a two-dimensional layer through ?-? stacking interactions between adjacent uncoordinated bipyridyl groups. Furthermore, a three-dimensional supramolecular framework is attained through ?-? stacking interactions between adjacent coordinated bipyridyl groups. PMID:24992119

  6. Extremely strong tubular stacking of aromatic oligoamide macrocycles

    DOE PAGESBeta

    Kline, Mark A.; Wei, Xiaoxi; Horner, Ian J.; Liu, Rui; Chen, Shuang; Chen, Si; Yung, Ka Yi; Yamato, Kazuhiro; Cai, Zhonghou; Bright, Frank V.; et al

    2015-01-01

    As the third-generation rigid macrocycles evolved from progenitor 1, cyclic aromatic oligoamides 3, with a backbone of reduced constraint, exhibit extremely strong stacking with an astoundingly high affinity (estimated lower limit of Kdimer > 1013 M-1 in CHCl3), which leads to dispersed tubular stacks that undergo further assembly in solution. Computational study reveals a very large binding energy (-49.77 kcal mol-1) and indicates highly cooperative local dipole interactions that account for the observed strength and directionality for the stacking of 3. In the solid-state, X-ray diffraction (XRD) confirms that the aggregation of 3 results in well-aligned tubular stacks. The persistentmore » tubular assemblies of 3, with their non-deformable sub-nm pore, are expected to possess many interesting functions. One such function, transmembrane ion transport, is observed for 3.« less

  7. Extremely strong tubular stacking of aromatic oligoamide macrocycles

    SciTech Connect

    Kline, Mark A.; Wei, Xiaoxi; Horner, Ian J.; Liu, Rui; Chen, Shuang; Chen, Si; Yung, Ka Yi; Yamato, Kazuhiro; Cai, Zhonghou; Bright, Frank V.; Zeng, Xiao Cheng; Gong, Bing

    2015-01-01

    As the third-generation rigid macrocycles evolved from progenitor 1, cyclic aromatic oligoamides 3, with a backbone of reduced constraint, exhibit extremely strong stacking with an astoundingly high affinity (estimated lower limit of Kdimer > 1013 M-1 in CHCl3), which leads to dispersed tubular stacks that undergo further assembly in solution. Computational study reveals a very large binding energy (-49.77 kcal mol-1) and indicates highly cooperative local dipole interactions that account for the observed strength and directionality for the stacking of 3. In the solid-state, X-ray diffraction (XRD) confirms that the aggregation of 3 results in well-aligned tubular stacks. The persistent tubular assemblies of 3, with their non-deformable sub-nm pore, are expected to possess many interesting functions. One such function, transmembrane ion transport, is observed for 3.

  8. Full Piezoelectric Multilayer-Stacked Hybrid Actuation/Transduction Systems

    NASA Technical Reports Server (NTRS)

    Su, Ji; Jiang, Xiaoning; Zu, Tian-Bing

    2011-01-01

    The Stacked HYBATS (Hybrid Actuation/Transduction system) demonstrates significantly enhanced electromechanical performance by using the cooperative contributions of the electromechanical responses of multilayer, stacked negative strain components and positive strain components. Both experimental and theoretical studies indicate that, for Stacked HYBATS, the displacement is over three times that of a same-sized conventional flextensional actuator/transducer. The coupled resonance mode between positive strain and negative strain components of Stacked HYBATS is much stronger than the resonance of a single element actuation only when the effective lengths of the two kinds of elements match each other. Compared with the previously invented hybrid actuation system (HYBAS), the multilayer Stacked HYBATS can be designed to provide high mechanical load capability, low voltage driving, and a highly effective piezoelectric constant. The negative strain component will contract, and the positive strain component will expand in the length directions when an electric field is applied on the device. The interaction between the two elements makes an enhanced motion along the Z direction for Stacked-HYBATS. In order to dominate the dynamic length of Stacked-HYBATS by the negative strain component, the area of the cross-section for the negative strain component will be much larger than the total cross-section areas of the two positive strain components. The transverse strain is negative and longitudinal strain positive in inorganic materials, such as ceramics/single crystals. Different piezoelectric multilayer stack configurations can make a piezoelectric ceramic/single-crystal multilayer stack exhibit negative strain or positive strain at a certain direction without increasing the applied voltage. The difference of this innovation from the HYBAS is that all the elements can be made from one-of-a-kind materials. Stacked HYBATS can provide an extremely effective piezoelectric constant at both resonance and off resonance frequencies. The effective piezoelectric constant can be alternated by varying the size of each component, the degree of the pre-curvature of the positive strain components, the thickness of each layer in the multilayer stacks, and the piezoelectric constant of the material used. Because all of the elements are piezoelectric components, Stacked HYBATS can serve as projector and receiver for underwater detection. The performance of this innovation can be enhanced by improving the piezoelectric properties.

  9. Fuel cell stack compressive loading system

    DOEpatents

    Fahle, Ronald W. (Manchester, CT); Reiser, Carl A. (Glastonbury, CT)

    1982-01-01

    A fuel cell module comprising a stack of fuel cells with reactant gas manifolds sealed against the external surfaces of the stack includes a constraint system for providing a compressive load on the stack wherein the constraint system maintains the stack at a constant height (after thermal expansion) and allows the compressive load to decrease with time as a result of the creep characteristics of the stack. Relative motion between the manifold sealing edges and the stack surface is virtually eliminated by this constraint system; however it can only be used with a stack having considerable resiliency and appropriate thermal expansion and creep characteristics.

  10. Split stack blowout prevention system

    SciTech Connect

    Crager, B.L.; Ray, D.R.; Steddum, R.E.

    1980-03-18

    A blowout prevention system for an offshore structure positioned on the underwater bottom in a body of water which contains moving ice masses that could force the structure off location wherein a surface blowout preventer stack for conventional well control is connected to the upper end of a riser with the lower end of the riser being disconnectably connected to a subsurface blowout preventer stack which provides the necessary well control should the structure be forced off location. The subsurface stack is positioned on a wellhead located in a chamber in the subsea bottom and is disconnectably connected to the riser so that the riser may be quickly removed from the subsea bottom should the structure be forced off location.

  11. Slippage in stacking of graphene nanofragments induced by spin polarization

    PubMed Central

    Lei, Yanyu; Jiang, Wanrun; Dai, Xing; Song, Ruixia; Wang, Bo; Gao, Yang; Wang, Zhigang

    2015-01-01

    Spin polarization and stacking are interesting effects in complex molecular systems and are both presented in graphene-based materials. Their possible combination may provide a new perspective in understanding the intermolecular force. The nanoscale graphene structures with zigzag edges could possess spin-polarized ground states. However, the mechanical effect of spin polarization in stacking of graphene nanofragments is not clear. Here we demonstrate the displacement between two stacked rhombic graphene nanofragments induced by spin polarization, using first-principles density-functional methods. We found that, in stacking of two rhombic graphene nanofragments, a spin-polarized stacked conformation with zero total spin is energetically more favorable than the closed-shell stacking. The spin-polarized conformation gives a further horizontal interlayer displacement within 1 angstrom compared with the closed-shell structure. This result highlights that, besides the well-known phenomenologically interpreted van der Waals forces, a specific mechanism dependent on the monomeric spin polarization may lead to obvious mechanical effects in some intermolecular interactions. PMID:26078005

  12. A Cloudy Quark Bag Model of S, P, and D wave interactions for the coupled channel antikaon-nucleon system

    SciTech Connect

    He, Guangliang.

    1992-05-15

    The Cloudy Quark Bag Model is extended from S-wave to P- and D-wave. The parameters of the model are determined by K{sup {minus}}p scattering cross section data, K{sup {minus}}p {yields}{Sigma}{pi}{pi}{pi} production data, K{sup {minus}}p threshold branching ratio data, and K{sup {minus}}p {yields}{Lambda}{pi}{pi}{pi} production data. The resonance structure of the {Lambda}(1405), {Sigma}(1385), and {Lambda}(1520) are studied in the model. The shift and width of kaonic hydrogen are calculated using the model.

  13. Pressurized electrolysis stack with thermal expansion capability

    DOEpatents

    Bourgeois, Richard Scott

    2015-07-14

    The present techniques provide systems and methods for mounting an electrolyzer stack in an outer shell so as to allow for differential thermal expansion of the electrolyzer stack and shell. Generally, an electrolyzer stack may be formed from a material with a high coefficient of thermal expansion, while the shell may be formed from a material having a lower coefficient of thermal expansion. The differences between the coefficients of thermal expansion may lead to damage to the electrolyzer stack as the shell may restrain the thermal expansion of the electrolyzer stack. To allow for the differences in thermal expansion, the electrolyzer stack may be mounted within the shell leaving a space between the electrolyzer stack and shell. The space between the electrolyzer stack and the shell may be filled with a non-conductive fluid to further equalize pressure inside and outside of the electrolyzer stack.

  14. The role of charge-transfer interactions and delocalization in annelated nitronyl nitroxides

    NASA Astrophysics Data System (ADS)

    Dooley, Brynn Mary

    The design and synthesis of stable organic radicals with delocalized spin density distribution and low energy optical and redox processes is central to the development of magneto-conducting materials. Towards this end, a generalized synthetic methodology has been developed allowing for the synthesis of a series of annelated benzonitronyl nitroxide (BNN) radicals. The BNN radicals exhibited remarkably low reduction potentials (~0.0 V vs SCE) and a near-infrared absorption attributed to a HOMO--SOMO charge-transfer excitation. The annelated BNN radicals were found to be less stable than the closely related tetramethyl nitronyl nitroxide radicals, particularly in solution. A series of pi-delocalized and heteroaromatic radicals were synthesized to determine if the instability was due to the delocalization of electron density onto the carbon skeleton or the low reduction potential. DFT calculations with the EPR-II basis gave rise to calculated electronic structures that were consistent with EPR spectroscopy and suggested changes in spin density distribution are occurring with perturbation of the annelated ring. Cyclic voltammetry revealed the heteroaromatic and pi-delocalized radicals had reduction potentials lower than BNN, with some systems reducing at potentials of 0.2 V vs SCE, comparable to that of 7,7,8,8-tetracyanoquinodimethane. The distribution of spin throughout the molecular framework and the low reduction potential of the annelated nitronyl nitroxide radicals were both found to contribute to the lowered stability of the annelated nitronyl nitroxides relative to the far less redox active tetramethyl nitronyl nitroxides. The low reduction potential of the BNN radicals suggested that incorporation into acceptor--donor (A--D) systems would allow for investigation of the role of charge transfer interactions on the electronic structure and properties of neutral open-shell A--D radicals. Two D--A--D radicals were prepared using metal catalyzed coupling and furoxan condensation methodologies which resulted in incorporation of a second donor in the C5 position of the BNN moiety. The radical D1--A--D2 triads, where D1 = thiophene and D2 = thiophene or phenyl, exhibited three intramolecular charge-transfer excitations (lambdamax = 550, 580 and 1000 nm) that were investigated by variable temperature absorption spectroscopy. Structural characterization of the triads in the solid state by single crystal and powder X-ray diffraction revealed slipped pi stacks that arise from intermolecular pi-- pi and D--A interactions, providing pathways for antiferromagnetic (AFM) and ferromagnetic (FM) exchange. While the phenyl substituted triad (Th--BNN--Ph) exhibited antiferromagnetic interactions and a room temperature conductivity of sigmaRT = 10-7 S cm-1, the thienyl substituted derivative (Th--BNN--Th) exhibited short-range FM interactions and increased conductivity (sigmaRT = 10-5 S cm-1), giving rise to an organic semiconductor exhibiting FM exchange. The differences in conductivity and magnetic behavior were rationalized by the degree of slippage dictated by an interplay between pi-- pi and intermolecular D--A interactions. Finally, a series of BNN--D radicals were investigated where the donor ability of D was systematically varied from Eox = 2.30 V vs SCE (benzene) to 0.32 V vs SCE (tetrathiafulvalene). Calculations of the near-infrared charge transfer excitation suggested that the HOMO--SOMO gap could be significantly decreased with increasing donor ability, consistent with charge transfer theory. A subset of the series of BNN--D radicals with D = anisole, benzo[b]thiophene, N-methylindole, N-ethylcarbazole, and N,N-diphenylaniline were synthesized. Solution state spectroscopic studies of the series by EPR and electronic absorption spectroscopy revealed spin-delocalized structures with extremely low reduction potentials (~0 V vs SCE). The solid state properties of the BNN--D radicals were investigated by magnetometry and room temperature conductivity measurements. Due to primarily steric interactions, weak D--A coupling was observed, with weak intermolecular interactions in the solid state leading to paramagnetic and insulating behaviour. The BNN-(N,N-diphenylaniline) radical structure was characterized by single crystal XRD and found to exist as well isolated radical moieties with extremely weak intermolecular interactions, consistent with magnetometry and conductivity measurements.

  15. Systolic arrays and stack decoding

    NASA Technical Reports Server (NTRS)

    Shahshahani, M.

    1987-01-01

    The application of systolic priority queues to the sequential stack decoding algorithm is discussed in a review of the work of K. Yao and C. Y. Chang. Using a systolic array architecture, one can significantly improve the performance of such algorithms at high signal-to-noise ratios.

  16. Multibeam collimator uses prism stack

    NASA Technical Reports Server (NTRS)

    Minott, P. O.

    1981-01-01

    Optical instrument creates many divergent light beams for surveying and machine element alignment applications. Angles and refractive indices of stack of prisms are selected to divert incoming laser beam by small increments, different for each prism. Angles of emerging beams thus differ by small, precisely-controlled amounts. Instrument is nearly immune to vibration, changes in gravitational force, temperature variations, and mechanical distortion.

  17. POLYMERIC INTERFACES FOR STACK MONITORING

    EPA Science Inventory

    Research has been performed on the use of polymeric interfaces for in situ continuous stack monitoring of gaseous pollutants. Permeabilities of candidate interface materials to SO2 were measured at temperatures from ambient to 200C, and the results were used to design interfaces ...

  18. STACK SAMPLING FOR ORGANIC EMISSIONS

    EPA Science Inventory

    The paper reviews some of the more important principles involved in stack sampling for organics, briefly describes and discusses recently developed equipment, and points out a few of the more serious pitfalls. Extensive references are provided, many of which are often overlooked ...

  19. Multilayer Piezoelectric Stack Actuator Characterization

    NASA Technical Reports Server (NTRS)

    Sherrit, Stewart; Jones, Christopher M.; Aldrich, Jack B.; Blodget, Chad; Bao, Xioaqi; Badescu, Mircea; Bar-Cohen, Yoseph

    2008-01-01

    Future NASA missions are increasingly seeking to use actuators for precision positioning to accuracies of the order of fractions of a nanometer. For this purpose, multilayer piezoelectric stacks are being considered as actuators for driving these precision mechanisms. In this study, sets of commercial PZT stacks were tested in various AC and DC conditions at both nominal and extreme temperatures and voltages. AC signal testing included impedance, capacitance and dielectric loss factor of each actuator as a function of the small-signal driving sinusoidal frequency, and the ambient temperature. DC signal testing includes leakage current and displacement as a function of the applied DC voltage. The applied DC voltage was increased to over eight times the manufacturers' specifications to investigate the correlation between leakage current and breakdown voltage. Resonance characterization as a function of temperature was done over a temperature range of -180C to +200C which generally exceeded the manufacturers' specifications. In order to study the lifetime performance of these stacks, five actuators from one manufacturer were driven by a 60volt, 2 kHz sine-wave for ten billion cycles. The tests were performed using a Lab-View controlled automated data acquisition system that monitored the waveform of the stack electrical current and voltage. The measurements included the displacement, impedance, capacitance and leakage current and the analysis of the experimental results will be presented.

  20. Progress Update: Stack Project Complete

    SciTech Connect

    Cody, Tom

    2010-01-01

    Progress update from the Savannah River Site. The 75 foot 293 F Stack, built for plutonium production, was cut down to size in order to prevent injury or release of toxic material if the structure were to collapse due to harsh weather.

  1. Progress Update: Stack Project Complete

    ScienceCinema

    Cody, Tom

    2012-06-14

    Progress update from the Savannah River Site. The 75 foot 293 F Stack, built for plutonium production, was cut down to size in order to prevent injury or release of toxic material if the structure were to collapse due to harsh weather.

  2. Final state interactions and CP violation in B decays to three pseudoscalars

    SciTech Connect

    Kaminski, Robert; Lesniak, L.; Bennich, B. El; Furman, A.; Moussallam, B.

    2010-08-05

    We study CP violation and final state interactions between pions and kaons in B{sup +}, B{sup -}, -B{sup 0} and B-bar{sup 0} decays into K{pi}{pi}. The weak transition amplitudes consist of two terms: the first part is derived in QCD factorization approach and the second one is a phenomenological long-distance charming penguin contribution. The final state K{pi} interactions in S- and P-waves are described by strange scalar and vector form factors, respectively. These are determined using a unitary coupled channel model together with chiral symmetry and asymptotic QCD constraints. The final state interactions are dominated by presence of the scalar K{sub 0}*(1430) and the vector K*(892) resonances. We show that additional charming penguin amplitudes are needed to reproduce the latest experimental K{pi} effective mass and helicity angle distributions, branching fractions and asymmetries obtained by Belle and BaBar collaborations.

  3. Spontaneous crystallization at the air-water interface: an unusual feature of gemini surfactant with a rigid spacer.

    PubMed

    Zhou, Min; Liu, Hong Lai; Yang, Hai Feng; Liu, Xue Liang; Zhang, Zhong Rang; Hu, Ying

    2006-12-19

    An unusual feature which involves spontaneous crystallization at the air-water interface from aqueous solution was reported for a water-soluble gemini surfactant with xylyl spacer, (p-phenylenedimethylene) bis(dodecyldimethylammonium) dibromide. Polarizing microscope, in situ confocal microscopic Raman spectroscopy, and powder XRD were used to characterize the structure of the crystal and investigate the driving force for nucleation. It was inferred that, besides the surface enrichment of amphiphiles and the intra- and intermolecular interaction of alkyl chains, the pi-pi stacking interaction of benzene rings plays an extraordinary role in promoting nucleation and stabilizing crystal structure. A mechanism for constructing supramolecular architectures in situ at the air-water interface directly from aqueous solution via water-soluble amphiphiles with groups favorable for pi-pi stacking interaction was proposed. PMID:17154555

  4. Modular fuel-cell stack assembly

    DOEpatents

    Patel, Pinakin (Danbury, CT); Urko, Willam (West Granby, CT)

    2008-01-29

    A modular multi-stack fuel-cell assembly in which the fuel-cell stacks are situated within a containment structure and in which a gas distributor is provided in the structure and distributes received fuel and oxidant gases to the stacks and receives exhausted fuel and oxidant gas from the stacks so as to realize a desired gas flow distribution and gas pressure differential through the stacks. The gas distributor is centrally and symmetrically arranged relative to the stacks so that it itself promotes realization of the desired gas flow distribution and pressure differential.

  5. Investigation of the effect of shunt current on battery efficiency and stack temperature in vanadium redox flow battery

    NASA Astrophysics Data System (ADS)

    Tang, Ao; McCann, John; Bao, Jie; Skyllas-Kazacos, Maria

    2013-11-01

    In vanadium redox flow batteries (VFB), the power of the battery is determined by the number of cells in the stack. Serial and parallel layouts are commonly adopted interactively to suit the designed power demand. The bipolar stack design inevitably introduces shunt currents bypassing into the common manifolds in the stack and thereby resulting in a parasitic loss of power and energy. During standby, shunt current and its associated internal discharge reactions can generate heat and increase stack temperature, potentially leading to thermal precipitation in the positive half-cell. This study aims to investigate the effect of shunt current on stack efficiency and temperature variation during standby periods for a 40-cell stack. Dynamic models based on mass balance, energy balance and electrical circuit are developed for simulations and the results provide an insight into stack performance that will aid in optimising stack design and suitable cooling strategies for the VFB.

  6. Nature and magnitude of aromatic base stacking in DNA and RNA: Quantum chemistry, molecular mechanics, and experiment.

    PubMed

    Sponer, Ji?í; Sponer, Judit E; Mládek, Arnošt; Jure?ka, Petr; Banáš, Pavel; Otyepka, Michal

    2013-12-01

    Base stacking is a major interaction shaping up and stabilizing nucleic acids. During the last decades, base stacking has been extensively studied by experimental and theoretical methods. Advanced quantum-chemical calculations clarified that base stacking is a common interaction, which in the first approximation can be described as combination of the three most basic contributions to molecular interactions, namely, electrostatic interaction, London dispersion attraction and short-range repulsion. There is not any specific ?-? energy term associated with the delocalized ? electrons of the aromatic rings that cannot be described by the mentioned contributions. The base stacking can be rather reasonably approximated by simple molecular simulation methods based on well-calibrated common force fields although the force fields do not include nonadditivity of stacking, anisotropy of dispersion interactions, and some other effects. However, description of stacking association in condensed phase and understanding of the stacking role in biomolecules remain a difficult problem, as the net base stacking forces always act in a complex and context-specific environment. Moreover, the stacking forces are balanced with many other energy contributions. Differences in definition of stacking in experimental and theoretical studies are explained. PMID:23784745

  7. Thermoacoustics in pin-array stacks

    SciTech Connect

    Swift, G.W. ); Keolian, R.M. )

    1993-08-01

    A new thermoacoustic stack geometry, the pin array, is described. Analytical expressions for velocity and temperature in the pin array are derived, and potential advantages of the pin stack are demonstrated. 11 refs., 4 figs.

  8. Correlated lateral phase separations in stacks of lipid membranes

    NASA Astrophysics Data System (ADS)

    Hoshino, Takuma; Komura, Shigeyuki; Andelman, David

    2015-12-01

    Motivated by the experimental study of Tayebi et al. [Nat. Mater. 11, 1074 (2012)] on phase separation of stacked multi-component lipid bilayers, we propose a model composed of stacked two-dimensional Ising spins. We study both its static and dynamical features using Monte Carlo simulations with Kawasaki spin exchange dynamics that conserves the order parameter. We show that at thermodynamical equilibrium, due to strong inter-layer correlations, the system forms a continuous columnar structure for any finite interaction across adjacent layers. Furthermore, the phase separation shows a faster dynamics as the inter-layer interaction is increased. This temporal behavior is mainly due to an effective deeper temperature quench because of the larger value of the critical temperature, Tc, for larger inter-layer interaction. When the temperature ratio, T/Tc, is kept fixed, the temporal growth exponent does not increase and even slightly decreases as a function of the increased inter-layer interaction.

  9. Correlated lateral phase separations in stacks of lipid membranes.

    PubMed

    Hoshino, Takuma; Komura, Shigeyuki; Andelman, David

    2015-12-28

    Motivated by the experimental study of Tayebi et al. [Nat. Mater. 11, 1074 (2012)] on phase separation of stacked multi-component lipid bilayers, we propose a model composed of stacked two-dimensional Ising spins. We study both its static and dynamical features using Monte Carlo simulations with Kawasaki spin exchange dynamics that conserves the order parameter. We show that at thermodynamical equilibrium, due to strong inter-layer correlations, the system forms a continuous columnar structure for any finite interaction across adjacent layers. Furthermore, the phase separation shows a faster dynamics as the inter-layer interaction is increased. This temporal behavior is mainly due to an effective deeper temperature quench because of the larger value of the critical temperature, Tc, for larger inter-layer interaction. When the temperature ratio, T/Tc, is kept fixed, the temporal growth exponent does not increase and even slightly decreases as a function of the increased inter-layer interaction. PMID:26723609

  10. Hopping Conductivity in Aperiodic Nucleotide Base Stacks

    NASA Astrophysics Data System (ADS)

    Ladik, Janos; Ye, Yuan-Jie

    2003-03-01

    The frequency-dependent complex hopping conductivities \\vert σ( ω) \\vert of aperiodic nucleotide base(-pair) stacks were calculated. The DOS were determined by the matrix block negative factor counting technique. Afterwards using the inverse iteration method the Anderson localization of the wave functions belonging to the physically interesting levels were computed. The hopping frequencies arrising from the interactions of the electrons with the acoustic phonons were also calculated. Using them as input into a generalized Lax-type random walk theory, \\vert σ( ω) \\vert was determined. \\vert σ( ω) \\vert has the value of the order of 1 Ω-1cm-1 at ω=10^11sec-1 for the base pair stacks. \\vert σ( ω) \\vert decreases exponentially with decreasing T. The activation energy of the conductivity shows variable range hopping at T>70K and a multichannel tunneling at T<=70K. All these results are in very good agreement with the electron energy loss experiments in a hole resonator of native DNA done by the Gruener Group.

  11. Stacking faults in Si nanocrystals

    SciTech Connect

    Wang, Y.Q.; Smirani, R.; Ross, G.G.

    2005-05-30

    Si nanocrystals (Si nc) were formed by the implantation of Si{sup +} into a SiO{sub 2} film on (100) Si, followed by high-temperature annealing. High-resolution transmission electron microscopy has been used to examine the microstructure of the Si nc produced by a high-dose (3x10{sup 17} cm{sup -2}) implantation. It is shown that there are only stacking-fault (SF) defects in some nanocrystals; while in others the stacking faults (SFs) coexist with twins. Two kinds of SFs, one being an intrinsic SF, the other being an extrinsic SF, have been observed inside the Si nc. More intrinsic SFs have been found in the Si nc, and the possible reasons are discussed. These microstructural defects are expected to play an important role in the light emission from the Si nc.

  12. Calculated state densities of aperiodic nucleotide base stacks

    NASA Astrophysics Data System (ADS)

    Ye, Yuan-Jie; Chen, Run-Shen; Martinez, Alberto; Otto, Peter; Ladik, Janos

    2000-05-01

    Electronic density of states (DOS) histograms and of the nucleotide base stack regions of a segment of human oncogene (both single and double stranded, in B conformation) and of single-stranded random DNA base stack (also in B conformation), were calculated. The computations were performed with the help of the ab initio matrix block negative factor counting (NFC) method for the DOSs. The neglected effects of the sugar-phosphate chain and the water environment (with the counterions) were assessed on the basis of previous ab initio band structure calculations. Further, in the calculation of single nucleotide base stacks also basis set and correlation effects have been investigated. In the case of a single strand the level spacing widths of the allowed regions and the fundamental gap were calculated also with Clementi's double ? basis and corrected for correlation at the MP2 level. The inverse interaction method was applied for the study of Anderson localization.

  13. 49 CFR 178.606 - Stacking test.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 49 Transportation 3 2013-10-01 2013-10-01 false Stacking test. 178.606 Section 178.606... Packagings and Packages § 178.606 Stacking test. (a) General. All packaging design types other than bags must be subjected to a stacking test. (b) Number of test samples. Three test samples are required for...

  14. PRECISION COSMOGRAPHY WITH STACKED VOIDS

    SciTech Connect

    Lavaux, Guilhem; Wandelt, Benjamin D.

    2012-08-01

    We present a purely geometrical method for probing the expansion history of the universe from the observation of the shape of stacked voids in spectroscopic redshift surveys. Our method is an Alcock-Paczynski (AP) test based on the average sphericity of voids posited on the local isotropy of the universe. It works by comparing the temporal extent of cosmic voids along the line of sight with their angular, spatial extent. We describe the algorithm that we use to detect and stack voids in redshift shells on the light cone and test it on mock light cones produced from N-body simulations. We establish a robust statistical model for estimating the average stretching of voids in redshift space and quantify the contamination by peculiar velocities. Finally, assuming that the void statistics that we derive from N-body simulations is preserved when considering galaxy surveys, we assess the capability of this approach to constrain dark energy parameters. We report this assessment in terms of the figure of merit (FoM) of the dark energy task force and in particular of the proposed Euclid mission which is particularly suited for this technique since it is a spectroscopic survey. The FoM due to stacked voids from the Euclid wide survey may double that of all other dark energy probes derived from Euclid data alone (combined with Planck priors). In particular, voids seem to outperform baryon acoustic oscillations by an order of magnitude. This result is consistent with simple estimates based on mode counting. The AP test based on stacked voids may be a significant addition to the portfolio of major dark energy probes and its potentialities must be studied in detail.

  15. Precision Cosmography with Stacked Voids

    NASA Astrophysics Data System (ADS)

    Lavaux, Guilhem; Wandelt, Benjamin D.

    2012-08-01

    We present a purely geometrical method for probing the expansion history of the universe from the observation of the shape of stacked voids in spectroscopic redshift surveys. Our method is an Alcock-Paczy?ski (AP) test based on the average sphericity of voids posited on the local isotropy of the universe. It works by comparing the temporal extent of cosmic voids along the line of sight with their angular, spatial extent. We describe the algorithm that we use to detect and stack voids in redshift shells on the light cone and test it on mock light cones produced from N-body simulations. We establish a robust statistical model for estimating the average stretching of voids in redshift space and quantify the contamination by peculiar velocities. Finally, assuming that the void statistics that we derive from N-body simulations is preserved when considering galaxy surveys, we assess the capability of this approach to constrain dark energy parameters. We report this assessment in terms of the figure of merit (FoM) of the dark energy task force and in particular of the proposed Euclid mission which is particularly suited for this technique since it is a spectroscopic survey. The FoM due to stacked voids from the Euclid wide survey may double that of all other dark energy probes derived from Euclid data alone (combined with Planck priors). In particular, voids seem to outperform baryon acoustic oscillations by an order of magnitude. This result is consistent with simple estimates based on mode counting. The AP test based on stacked voids may be a significant addition to the portfolio of major dark energy probes and its potentialities must be studied in detail.

  16. Stack Monitor Operating Experience Review

    SciTech Connect

    L. C. Cadwallader; S. A. Bruyere

    2009-05-01

    Stack monitors are used to sense radioactive particulates and gases in effluent air being vented from rooms of nuclear facilities. These monitors record the levels and types of effluents to the environment. This paper presents the results of a stack monitor operating experience review of the U.S. Department of Energy (DOE) Occurrence Reporting and Processing System (ORPS) database records from the past 18 years. Regulations regarding these monitors are briefly described. Operating experiences reported by the U.S. DOE and in engineering literature sources were reviewed to determine the strengths and weaknesses of these monitors. Electrical faults, radiation instrumentation faults, and human errors are the three leading causes of failures. A representative “all modes” failure rate is 1E-04/hr. Repair time estimates vary from an average repair time of 17.5 hours (with spare parts on hand) to 160 hours (without spare parts on hand). These data should support the use of stack monitors in any nuclear facility, including the National Ignition Facility and the international ITER project.

  17. Artificially stacked atomic layers: toward new van der Waals solids.

    PubMed

    Gao, Guanhui; Gao, Wei; Cannuccia, E; Taha-Tijerina, Jaime; Balicas, Luis; Mathkar, Akshay; Narayanan, T N; Liu, Zhen; Gupta, Bipin K; Peng, Juan; Yin, Yansheng; Rubio, Angel; Ajayan, Pulickel M

    2012-07-11

    Strong in-plane bonding and weak van der Waals interplanar interactions characterize a large number of layered materials, as epitomized by graphite. The advent of graphene (G), individual layers from graphite, and atomic layers isolated from a few other van der Waals bonded layered compounds has enabled the ability to pick, place, and stack atomic layers of arbitrary compositions and build unique layered materials, which would be otherwise impossible to synthesize via other known techniques. Here we demonstrate this concept for solids consisting of randomly stacked layers of graphene and hexagonal boron nitride (h-BN). Dispersions of exfoliated h-BN layers and graphene have been prepared by liquid phase exfoliation methods and mixed, in various concentrations, to create artificially stacked h-BN/G solids. These van der Waals stacked hybrid solid materials show interesting electrical, mechanical, and optical properties distinctly different from their starting parent layers. From extensive first principle calculations we identify (i) a novel approach to control the dipole at the h-BN/G interface by properly sandwiching or sliding layers of h-BN and graphene, and (ii) a way to inject carriers in graphene upon UV excitations of the Frenkell-like excitons of the h-BN layer(s). Our combined approach could be used to create artificial materials, made predominantly from inter planar van der Waals stacking of robust bond saturated atomic layers of different solids with vastly different properties. PMID:22731861

  18. On the role of the final-state interactions in rare B decays

    SciTech Connect

    Kaidalov, A. B.; Vysotsky, M. I.

    2009-12-15

    The effects of final-state interactions (FSI) in hadronic B decays are investigated. The model for FSI, based on Regge phenomenology of high-energy hadronic interactions, is proposed. It is shown that this model explains the pattern of phases in matrix elements of B {yields} {pi}{pi} and B {yields} {rho}{rho} decays. These phases play an important role for CP violation in B decays. The most precise determination of the unitarity triangle angle {alpha} from B{sub d} {yields} {rho}{pi} decays is performed. The relation between CP asymmetries in B {yields} K{pi} decays is discussed. It is emphasized that the large-distance FSI can explain the structure of polarizations of the vector mesons in B decays and other puzzles like a very large branching ratio of the B decay to {Xi}{sub c{Lambda}c}.

  19. Stacks

    ERIC Educational Resources Information Center

    Kimber, Lizzie

    2010-01-01

    Linton Waters and Jayne Kranat ran a session on the Nuffield "Applying Mathematical Processes" (AMP) activities at BCME7 in Manchester in April this year. These 1-2 hour activities are revamps of some of the Graded Assessment in Mathematics (GAIM) resources, developed in the 1980s, and are freely available via the Nuffield website and the original…

  20. Stacks

    ERIC Educational Resources Information Center

    Kimber, Lizzie

    2010-01-01

    Linton Waters and Jayne Kranat ran a session on the Nuffield "Applying Mathematical Processes" (AMP) activities at BCME7 in Manchester in April this year. These 1-2 hour activities are revamps of some of the Graded Assessment in Mathematics (GAIM) resources, developed in the 1980s, and are freely available via the Nuffield website and the original…

  1. Boston Harbor sewage stack (for microcomputers). Software

    SciTech Connect

    Not Available

    1992-12-01

    The Boston Harbor Sewage Stack is interactive educational computer program about how municipalities deal with sewage, how sewage systems work, non point pollution, and what citizens can do to help - focusing on Boston Harbor and the Boston Harbor Cleanup. The program is written at a level accessible to middle-school students, but with enough depth for adults. Schools and environmental organizations, especially in coastal areas, will find this program a useful addition to their environmental education offerings. The program shows what happens to sewage - from the moment of flush to its passage through the Massachusetts Water Resources Authority's sewage system and into Boston Harbor - now and as the cleanup proceeds. Users encounter topics for exploration, including storm sewers and combined sewer overflows (CSOs); non point pollution from pets, spilled waste oil, lawn and garden chemicals, and other sources; what not to flush and why; how officials can tell if water is polluted; and why it all matters.

  2. Lightweight Stacks of Direct Methanol Fuel Cells

    NASA Technical Reports Server (NTRS)

    Narayanan, Sekharipuram; Valdez, Thomas

    2004-01-01

    An improved design concept for direct methanol fuel cells makes it possible to construct fuel-cell stacks that can weigh as little as one-third as much as do conventional bipolar fuel-cell stacks of equal power. The structural-support components of the improved cells and stacks can be made of relatively inexpensive plastics. Moreover, in comparison with conventional bipolar fuel-cell stacks, the improved fuel-cell stacks can be assembled, disassembled, and diagnosed for malfunctions more easily. These improvements are expected to bring portable direct methanol fuel cells and stacks closer to commercialization. In a conventional bipolar fuel-cell stack, the cells are interspersed with bipolar plates (also called biplates), which are structural components that serve to interconnect the cells and distribute the reactants (methanol and air). The cells and biplates are sandwiched between metal end plates. Usually, the stack is held together under pressure by tie rods that clamp the end plates. The bipolar stack configuration offers the advantage of very low internal electrical resistance. However, when the power output of a stack is only a few watts, the very low internal resistance of a bipolar stack is not absolutely necessary for keeping the internal power loss acceptably low.

  3. A study of the excited states in cytosine and guanine stacks in the Hartree-Fock and exciton approximations.

    PubMed

    Grobelsek-Vracko, M; Zaider, M

    1994-04-01

    We report calculated exciton energies for the cytosine and guanine stacks obtained in the ab initio Hartree-Fock crystal orbital and exciton approximation, which includes the excited electron-hole interaction. This interaction plays an important role in the description of excited electron spectra in the low-energy region. The stacks were chosen as examples of polymers with helical symmetry. PMID:8146296

  4. Nonlinear acoustic impedance of thermoacoustic stack

    NASA Astrophysics Data System (ADS)

    Ge, Huan; Fan, Li; Xiao, Shu-yu; Tao, Sha; Qiu, Mei-chen; Zhang, Shu-yi; Zhang, Hui

    2012-09-01

    In order to optimize the performances of the thermoacoustic refrigerator working with the high sound pressure level, the nonlinear acoustic characteristics of the thermoacoustic stack in the resonant pipe are studied. The acoustic fluid impedance of the stack made of copper mesh and set up in a resonant pipe is measured in the acoustic fields with different intensities. It is found that when the sound pressure level in the pipe increases to a critical value, the resistance of the stack increases nonlinearly with the sound pressure, while the reactance of the stack keeps constant. Based on the experimental results, a theory model is set up to describe the acoustic characteristics of the stack, according to the rigid frame theory and Forchheimmer equation. Furthermore, the influences of the sound pressure level, operating frequency, volume porosity, and length of the stack on the nonlinear impedance of the stack are evaluated.

  5. Study of J/psi pi+ pi- States Produced in B0 to J/psi pi+ pi- K^0 and B- to J/psi pi+ pi- K-

    SciTech Connect

    Aubert, B.; Barate, R.; Boutigny, D.; Couderc, F.; Karyotakis, Y.; Lees, J.P.; Poireau, V.; Tisserand, V.; Zghiche, A.; Grauges, E.; Palano, A.; Pappagallo, M.; Pompili, A.; Chen, J.C.; Qi, N.D.; Rong, G.; Wang, P.; Zhu, Y.S.; Eigen, G.; Ofte, I.; Stugu, B. /Bergen U. /LBL, Berkeley /UC, Berkeley /Birmingham U. /Ruhr U., Bochum /Bristol U. /British Columbia U. /Brunel U. /Novosibirsk, IYF /UC, Irvine /UCLA /UC, Riverside /UC, San Diego /UC, Santa Barbara /UC, Santa Cruz /Caltech /Cincinnati U. /Colorado U. /Colorado State U. /Dortmund U. /Dresden, Tech. U. /Ecole Polytechnique /Edinburgh U. /Ferrara U. /INFN, Ferrara /Frascati /Genoa U. /INFN, Genoa /Harvard U. /Heidelberg U. /Imperial Coll., London /Iowa U. /Iowa State U. /Orsay, LAL /LLNL, Livermore /Liverpool U. /Queen Mary, U. of London /Royal Holloway, U. of London /Louisville U. /Manchester U. /Maryland U. /Massachusetts U., Amherst /MIT, LNS /McGill U. /Milan U. /INFN, Milan /Mississippi U. /Montreal U. /Mt. Holyoke Coll. /Naples U. /INFN, Naples /NIKHEF, Amsterdam /Notre Dame U. /Ohio State U. /Oregon U. /Padua U. /INFN, Padua /Paris U., VI-VII /Pennsylvania U. /Perugia U. /INFN, Perugia /Pisa U. /INFN, Pisa /Prairie View A-M /Princeton U. /Rome U. /INFN, Rome /Rostock U. /Rutherford /DAPNIA, Saclay /South Carolina U. /SLAC /Stanford U., Phys. Dept. /SUNY, Stony Brook /Tennessee U. /Texas U. /Texas U., Dallas /Turin U. /INFN, Turin /Trieste U. /INFN, Trieste /Valencia U., IFIC /Vanderbilt U. /Victoria U. /Warwick U. /Wisconsin U., Madison /Yale U.

    2005-07-27

    We present results of a search for the X(3872) in B{sup 0} {yields} X(3872)K{sub S}{sup 0}, X(3872) {yields} J/{psi}{pi}{sup +}{pi}{sup -}, improved measurements of B{sup -} {yields} X(3872)K{sup -}, and a study of the J/{psi}{pi}{sup +}{pi}{sup -} mass region above the X(3872). We use 232 million B{bar B} pairs collected at the {Upsilon}(4S) resonance with the BABAR detector at the PEP-II e{sup +}e{sup -} asymmetric-energy storage rings. The results include the 90% confidence interval 1.34 x 10{sup -6} < {Beta}(B{sup 0} {yields} X(3872)K{sup 0}, X {yields} J/{psi}{pi}{sup +}{pi}{sup -}) < 10.3 x 10{sup -6} and the branching fraction {Beta}(B{sup -} {yields} X(3872)K{sup -}, X {yields} J/{psi}{pi}{sup +}{pi}{sup -}) = (10.1 {+-} 2.5 {+-} 1.0) x 10{sup -6}. We observe a (2.7 {+-} 1.3 {+-} 0.2) MeV/c{sup 2} mass difference of the X(3872) produced in the two decay modes. Furthermore, we find an excess of J/{psi}{pi}{sup +}{pi}{sup -} events with an invariant mass just above 4.2 GeV/c{sup 2} that is consistent with recent observations in initial state radiation events.

  6. Measurement of CP Parameters in B- --> D(pi+pi-pi0)K- and Study of the X(3872) in B --> J/psi pi+ pi- K with the BaBar Detector

    SciTech Connect

    Winklmeier, Frank; /SLAC

    2006-09-18

    This dissertation presents two analyses performed on data collected with the BABAR detector at the SLAC PEP-II e{sup +}e{sup -} asymmetric-energy B Factory. First, a Dalitz analysis is shown that performs the first measurement of CP violation parameters in the decay B{sup -} {yields} D{sub {pi}{sup +}{pi}{sup -}{pi}{sup 0}}K{sup -} using the decay rate asymmetry and D{sup 0} - {bar D}{sup 0} interference. The results can be used to further constrain the value of the CKM angle {gamma}. The second analysis studies the properties of the X(3872) in neutral and charged B {yields} J/{psi}{pi}{sup +}{pi}{sup -}K decays. Measurements of the branching ratio and mass are presented as well as the search for additional resonances at higher masses.

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

    SciTech Connect

    Sobie, R.; /Victoria U.

    2005-06-21

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

  8. Base-stacking and base-pairing contributions into thermal stability of the DNA double helix

    PubMed Central

    Yakovchuk, Peter; Protozanova, Ekaterina; Frank-Kamenetskii, Maxim D.

    2006-01-01

    Two factors are mainly responsible for the stability of the DNA double helix: base pairing between complementary strands and stacking between adjacent bases. By studying DNA molecules with solitary nicks and gaps we measure temperature and salt dependence of the stacking free energy of the DNA double helix. For the first time, DNA stacking parameters are obtained directly (without extrapolation) for temperatures from below room temperature to close to melting temperature. We also obtain DNA stacking parameters for different salt concentrations ranging from 15 to 100 mM Na+. From stacking parameters of individual contacts, we calculate base-stacking contribution to the stability of A•T- and G•C-containing DNA polymers. We find that temperature and salt dependences of the stacking term fully determine the temperature and the salt dependence of DNA stability parameters. For all temperatures and salt concentrations employed in present study, base-stacking is the main stabilizing factor in the DNA double helix. A•T pairing is always destabilizing and G•C pairing contributes almost no stabilization. Base-stacking interaction dominates not only in the duplex overall stability but also significantly contributes into the dependence of the duplex stability on its sequence. PMID:16449200

  9. Calculation of hopping conductivity in aperiodic nucleotide base stacks

    NASA Astrophysics Data System (ADS)

    Ye, Y.-J.; Chen, R.-S.; Martinez, A.; Otto, P.; Ladik, J.

    1999-09-01

    The electronic density of states (DOS) of aperiodic nucleotide base and base pair stacks were calculated previously by the negative factor counting (NFC) procedure. Applying the inverse iteration method, the localized electronic wave functions of the first 100 filled levels were determined. As a third step the primary hopping frequencies between the localized electronic wave functions (at different sites) were computed assuming interactions via acoustic phonons. Finally using the hopping frequencies as input of a random walk theory of Lax and coworkers the complex, frequency-dependent hopping conductivities ?( ?) were determined. This procedure was performed for two different 100 base or base pair long sequences in the stack and for a 200 units long segment for a single stack. The influence of the application of a better basis set and that of correlation effects were also investigated. The results show an increase of ?( ?) as compared to the ones of different protein chains and at ?=10 10 s-1 they are close to 1 ? -1 cm -1 in the case of 100 base pairs in the stacks. Further, the application of the better (double ?) basis and of correlation corrections of the level schemes increase ?( ?). One can conclude that in aperiodic DNA there is hopping hole conduction (if its interaction with nucleoproteins generates holes via charge transfer) and its value is about 1 ? -1 cm -1 at high frequencies. This result agrees well with the available experimental data.

  10. A High Volume Stack Sampler

    NASA Technical Reports Server (NTRS)

    Boubel, Richard W.

    1971-01-01

    The stack sampler described in this paper has been developed to overcome the difficulties of particulate sampling with presently available equipment. Its use on emissions from hog fuel fired boilers, back-fired incinerators, wigwam burners, asphalt plants, and seed cleaning cyclones is reported. The results indicate that the sampler is rapid and reliable in its use. It is relatively simple and inexpensive to operate. For most sources it should be considered over the more complicated and expensive sampling trains being used and specified.

  11. Status of MCFC stack development at Hitachi

    SciTech Connect

    Takashima, S.; Kahara, T.; Takeuchi, M.

    1996-12-31

    Hitachi, Ltd. has been developing Molten Carbonate Fuel Cells in the New Sunshine project in Japan, and Hitachi is taking part in the development of 1,000kW MCFC pilot plant at Kawagoe. Hitachi is engaged in system planning of the 1,000kW pilot plant, design and manufacturing of the reformer subsystem and the fuel cell subsystem, and design and manufacturing of the 250kW stacks for the 1,000kW plant. The 250kW stacks are developed on the basis of the results of the 100kW stack in 1993 and the following 25kW stack in 1994. In parallel to the stack development, Hitachi is also conducting researches for long endurance cells and stacks. In addition to the researches for anode, cathode, electrolyte, and electrolyte matrix, improvement of temperature distribution in stacks is investigated to extend the stack life. This paper describes the planning status of the 250kW stacks for the 1,000kW MCFC plant and the developing status of stack cooling method for longer life.

  12. Modeling theta-theta Interactions with the Effective Fragment Potential Method: The Benzene Dimer and Substituents

    SciTech Connect

    Toni Smithl; Lyudmila V. Slipchenko; Mark S. Gordon

    2008-02-27

    This study compares the results of the general effective fragment potential (EFP2) method to the results of a previous combined coupled cluster with single, double, and perturbative triple excitations [CCSD(T)] and symmetry-adapted perturbation theory (SAPT) study [Sinnokrot and Sherrill, J. Am. Chem. Soc., 2004, 126, 7690] on substituent effects in {pi}-{pi} interactions. EFP2 is found to accurately model the binding energies of the benzene-benzene, benzene-phenol, benzene-toluene, benzene-fluorobenzene, and benzene-benzonitrile dimers, as compared with high-level methods [Sinnokrot and Sherrill, J. Am. Chem. Soc., 2004, 126, 7690], but at a fraction of the computational cost of CCSD(T). In addition, an EFP-based Monte Carlo/simulated annealing study was undertaken to examine the potential energy surface of the substituted dimers.

  13. Photogrammetric Technique for Timber Stack Volume Contol

    NASA Astrophysics Data System (ADS)

    Knyaz, V. A.; Maksimov, A. A.

    2014-08-01

    The problem of accurate log volume measurement is a very important, especially in case of seaport volume control where logs are put in a huge stack of hundred meters length and a time for volume control is strongly restricted. Current technology of volume control use manual means such as measuring tape, so the process of measurement is rather inaccurate and time consuming. To estimate the volume of timber stack its frontal area is measured and some control parts of a stack are used for stacking coefficient (wood density in a stack) determination. Non-contact vision based technique is proposed for manual measurements substituting. The developed methods are implemented in portable photogrammetric system for stack parameters measuring and documenting.

  14. Stacking-Dependent Interlayer Coupling in Trilayer MoS2 with Broken Inversion Symmetry.

    PubMed

    Yan, Jiaxu; Xia, Juan; Wang, Xingli; Liu, Lei; Kuo, Jer-Lai; Tay, Beng Kang; Chen, Shoushun; Zhou, Wu; Liu, Zheng; Shen, Ze Xiang

    2015-12-01

    The stacking configuration in few-layer two-dimensional (2D) materials results in different structural symmetries and layer-to-layer interactions, and hence it provides a very useful parameter for tuning their electronic properties. For example, ABA-stacking trilayer graphene remains semimetallic similar to that of monolayer, while ABC-stacking is predicted to be a tunable band gap semiconductor under an external electric field. Such stacking dependence resulting from many-body interactions has recently been the focus of intense research activities. Here we demonstrate that few-layer MoS2 samples grown by chemical vapor deposition with different stacking configurations (AA, AB for bilayer; AAB, ABB, ABA, AAA for trilayer) exhibit distinct coupling phenomena in both photoluminescence and Raman spectra. By means of ultralow-frequency (ULF) Raman spectroscopy, we demonstrate that the evolution of interlayer interaction with various stacking configurations correlates strongly with layer-breathing mode (LBM) vibrations. Our ab initio calculations reveal that the layer-dependent properties arise from both the spin-orbit coupling (SOC) and interlayer coupling in different structural symmetries. Such detailed understanding provides useful guidance for future spintronics fabrication using various stacked few-layer MoS2 blocks. PMID:26565932

  15. Hydrogen Embrittlement And Stacking-Fault Energies

    NASA Technical Reports Server (NTRS)

    Parr, R. A.; Johnson, M. H.; Davis, J. H.; Oh, T. K.

    1988-01-01

    Embrittlement in Ni/Cu alloys appears related to stacking-fault porbabilities. Report describes attempt to show a correlation between stacking-fault energy of different Ni/Cu alloys and susceptibility to hydrogen embrittlement. Correlation could lead to more fundamental understanding and method of predicting susceptibility of given Ni/Cu alloy form stacking-fault energies calculated from X-ray diffraction measurements.

  16. Manifold seal for fuel cell stack assembly

    DOEpatents

    Schmitten, Phillip F. (N. Huntingdon, PA); Wright, Maynard K. (Bethel Park, PA)

    1989-01-01

    An assembly for sealing a manifold to a stack of fuel cells includes a first resilient member for providing a first sealing barrier between the manifold and the stack. A second resilient member provides a second sealing barrier between the manifold and the stack. The first and second resilient members are retained in such a manner as to define an area therebetween adapted for retaining a sealing composition.

  17. First Observation of the Cabibbo-suppressed Decays Xi+(c) ---> Sigma+ pi- pi+ and Xi+(c) ---> Sigma- pi+ pi+ and Measurement of their Branching Ratios

    SciTech Connect

    Vazquez-Jauregui, E.; Engelfried, J.; Akgun, U.; Alkhazov, Georgiy; Amaro-Reyes, J.; Atamantchouk, A.G.; Ayan, Ahmet Sedat; Balatz, M.Y.; Blanco-Covarrubias, A.; Bondar, N.F.; Cooper, Peter S.; /Fermilab /Michigan U., Flint

    2008-04-01

    The authors report the first observation of two Cabibbo-suppressed decay modes, {Xi}{sub c}{sup +} {yields} {Sigma}{sup +}{pi}{sup -}{pi}{sup +} and {Xi}{sub c}{sup +} {yields} {Sigma}{sup -} {pi}{sup +}{pi}{sup +}. They observe 56 {+-} 13 over a background of 21, and 23 {+-} 7 over a background of 12 events, respectively, for the signals. The data were accumulated using the SELEX spectrometer during the 1996-1997 fixed target run at Fermilab, chiefly from a 600 GeV/c {Sigma}{sup -} beam. The branching ratios of the decays relative to the Cabibbo-favored {Xi}{sub c}{sup +} {yields} {Xi}{sup -}{pi}{sup +}{pi}{sup +} are measured to be B({Xi}{sub c}{sup +} {yields} {Sigma}{sup +}{pi}{sup -}{pi}{sup +})/B({xi}{sub c}{sup +} {yields} {Xi}{sup -} {pi}{sup +}{pi}{sup +}) = 0.50 {+-} 0.20, and B({Xi}{sub c}{sup +} {yields} {Sigma}{sup -}{pi}{sup +}{pi}{sup +})/B({Xi}{sub c}{sup +} {yields} {Xi}{sup -}{pi}{sup +}{pi}{sup +}) = 0.23 {+-} 0.11, respectively. They also report branching ratios for the same decay modes of the {Lambda}{sub c}{sup +} relative to {Lambda}{sub c}{sup +} {yields} pK{sup -}{pi}{sup +}.

  18. First observation and measurement of the resonant structure of the lambda_b->lambda_c pi-pi+pi- decay mode

    SciTech Connect

    Azzurri, P.; Barria, P.; Ciocci, M.A.; Donati, S.; Vataga, E.

    2009-12-01

    The authors present the first observation of the {Lambda}{sub b}{sup 0} {yields} {Lambda}{sub c}{sup +}{pi}{sup -}{pi}{sup +}{pi}{sup -} decay using data from an integrated luminosity of approximately 2.4 fb{sup -1} of p{bar p} collisions at {radical}s = 1.96 TeV, collected with the CDF II detector at the Fermilab Tevatron. They also present the first observation of the resonant decays {Lambda}{sub b}{sup 0} {yields} {Sigma}{sub c}(2455){sup 0} {pi}{sup +}{pi}{sup -} {yields} {Lambda}{sub c}{sup +}{pi}{sup -}{pi}{sup +}{pi}{sup -}, {Lambda}{sub b}{sup 0} {yields} {Sigma}{sub c}(2455){sup ++}{pi}{sup -}{pi}{sup -} {yields} {Lambda}{sub c}{sup +}{pi}{sup -}{pi}{sup +}{pi}{sup -}, {Lambda}{sub b}{sup 0} {yields} {Lambda}{sub c}(2595){sup +}{pi}{sup -} {yields} {Lambda}{sub c}{sup +}{pi}{sup -}{pi}{sup +}{pi}{sup -} and {Lambda}{sub b}{sup 0} {yields} {Lambda}{sub c}(2625){sup +}{pi}{sup -} {yields} {Lambda}{sub c}{sup +}{pi}{sup -}{pi}{sup +}{pi}{sup -}, and measure their relative branching ratios.

  19. Study of the doubly and singly Cabibbo suppressed decays D+ --> K+ pi- pi+ and D(s)+ --> K+ pi- pi+ in the FOCUS experiment

    SciTech Connect

    Edera, Laura

    2005-01-01

    This thesis illustrates a complete study of the doubly and singly Cabibbo suppressed decays D{sup +} and D{sub s}{sup +} {yields} K{sup +} {pi}{sup -}{pi}{sup +}. Data for this analysis have been collected by the fixed-target high-energy photoproduction experiment FOCUS at Fermilab. The authors have selected the D{sup +} and D{sub s}{sup +} samples with cuts to obtain a sufficiently high statistics, a good signal to noise ratio and, at the same time, eliminate possible contaminations from the more copious and favored decays. The D{sup +} yield consists of 189 {+-} 24 events, with a signal to noise ratio {approx} 1; the D{sub s}{sup +} yield is 567 {+-} 31 and the signal to noise ratio is {approx} 2.5. The authors have measured {Lambda}(D{sup +} {yields} K{sup +}{pi}{sup -}{pi}{sup +})/{Lambda}(D{sup +} {yields} K{sup -}{pi}{sup +}{pi}{sup +}) = 0.0065 {+-} 0.0008 {+-} 0.004 and {Lambda}(D{sub s}{sup +} {yields} K{sup +}{pi}{sup -}{pi}{sup +})/{Lambda}(D{sub s}{sup +} {yields} K{sup +}K{sup -}{pi}{sup +}) = 0.127 {+-} 0.007 {+-} 0.014, improving the previous determinations of a factor of 2 and 5, respectively. The author has also performed a Dalitz plot analysis for both decays. The amplitude analysis for D{sub s}{sup +} {yields} K{sup +}{pi}{sup -}{pi}{sup +} represents the first available measurement for this channel.

  20. Exotic and qq-bar resonances in the pi+pi-pi- system produced in pi-p collisions at 18 GeV/c

    SciTech Connect

    S. U. Chung; K. Danyo; R. W. Hackenburg; C. Olchanski; J. S. Suh; H. J. Willutzki; S. P. Denisov; V. Dorofeev; V. V. Lipaev; A. V. Popov; D. I. Ryabchikov; Z. Bar-Yam; J. P. Dowd; P. Eugenio; M. Hayek; W. Kern; E. King; N. Shenhav; V. A. Bodyagin; O. L. Kodolova; V. L. Korotkikh; M. A. Kostin; A. I. Ostrovidov; L. I. Sarycheva; I. N. Vardanyan; A. A. Yershov; D. S. Brown; X. L. Fan; D. Joffe; T. K. Pedlar; K. K. Seth; A. Tomaradze; T. Adams; J. M. Bishop; N. M. Cason; E. I. Ivanov; J. M. LoSecco; J. J. Manak; W. D. Shephard; D. L. Stienike; S. A. Taegar; G. S. Adams; J. P. Cummings; J. Hu; J. Kuhn; M. Lu; J. Napolitano; D. B. White; M. Witkowski; M. Nozar; X. Shen; D. P. Weygand

    2002-03-01

    A partial-wave analysis of the reaction pi{sup -}p-->pi{sup +}pi{sup -}pi{sup -}p at 18 GeV/c has been performed on a data sample of 250 000 events obtained in the Brookhaven experiment E852. The well-known a{sub 1}(1260), a{sub 2}(1320) and pi{sub 2}(1670) resonant states are observed. The existence of the pi(1800), a{sub 1}(1700) and a{sub 4}(2040) states is confirmed. The a{sub 3}(1874) state is also observed. The exotic 1{sup -+} pi{sub 1}(1600) state produced in the natural parity exchange process is found to decay in the rho(770)pi{sup -} channel. A mass-dependent fit results in a resonance mass of 1593{+-}8{sub -47}{sup +29} MeV/c{sup 2} and a width of 168{+-}20{sub -12}{sup +150} MeV/c{sup 2}.

  1. Measurement of the branching fraction ${\\mathcal{B}}(\\Lambda^0_b\\rightarrow \\Lambda^+_c\\pi^-\\pi^+\\pi^-)$ at CDF

    SciTech Connect

    Aaltonen, T.; Alvarez Gonzalez, B.; Amerio, S.; Amidei, D.; Anastassov, A.; Annovi, A.; Antos, J.; Apollinari, G.; Appel, J.A.; Arisawa, T.; Artikov, A.; /Dubna, JINR /Texas A-M

    2011-12-01

    We report an analysis of the {Lambda}{sub b}{sup 0} {yields} {Lambda}{sub c}{sup +}{pi}{sup -}{pi}{sup +}{pi}{sup -} decay in a data sample collected by the CDF II detector at the Fermilab Tevatron corresponding to 2.4 fb{sup -1} of integrated luminosity. We reconstruct the currently largest samples of the decay modes {Lambda}{sub b}{sup 0} {yields} {Lambda}{sub c}(2595){sup +}{pi}{sup -} (with {Lambda}{sub c}(2595){sup +} {yields} {Lambda}{sub c}{sup +}{pi}{sup +}{pi}{sup -}), {Lambda}{sub b}{sup 0} {yields} {Lambda}{sub c}(2625){sup +}{pi}{sup -} (with {Lambda}{sub c}(2625){sup +} {yields} {Lambda}{sub c}{sup +}{pi}{sup +}{pi}{sup -}), {Lambda}{sub b}{sup 0} {yields} {Sigma}{sub c}(2455){sup ++}{pi}{sup -}{pi}{sup -} (with {Sigma}{sub c}(2455){sup ++} {yields} {Lambda}{sub c}{sup +}{pi}{sup +}), and {Lambda}{sub b}{sup 0} {yields} {Sigma}{sub c}(2455)0{pi}{sup +}{pi}{sup -} (with {Sigma}{sub c}(2455)0 {yields} {Lambda}{sub c}{sup +}{pi}{sup -}) and measure the branching fractions relative to the {Lambda}{sub b}{sup 0} {yields} {Lambda}{sub c}{sup +}{pi}{sup -} branching fraction. We measure the ratio {Beta}({Lambda}{sub b}{sup 0} {yields} {Lambda}{sub c}{sup +}{pi}{sup -}{pi}{sup +}{pi}{sup -})/ {Beta}({Lambda}{sub b}{sup 0} {yields} {Lambda}{sub c}{sup +}{pi}{sup -})=3.04 {+-} 0.33(stat){sub -0.55}{sup +0.70}(syst) which is used to derive {Beta}({Lambda}{sub b}{sup 0} {yields} {Lambda}{sub c}{sup +}{pi}{sup -}{pi}{sup +}{pi}{sup -})=(26.8{sub -11.2}{sup +11.9}) x 10{sup -3}.

  2. Branching Ratio Measurements of B ---> J/psi eta K and B+- ---> D0 K+- with D0 ---> pi+ pi- pi0

    SciTech Connect

    Zeng, Qinglin; /Colorado State U.

    2006-03-08

    Results are presented for the decays of B {yields} J/{psi}{eta}K and B{sup {+-}} {yields} DK{sup {+-}}, respectively, with experimental data collected with BABAR detector at PEP-II, located at Stanford Linear Accelerator Center (SLAC). With 90 x 10{sup 6} B{bar B} events at the {Upsilon}(4S) resonance, we obtained branching fractions of {Beta}(B{sup {+-}} {yields} J/{psi}{eta}K{sup {+-}}) = [10.8 {+-} 2.3(stat) {+-} 2.4(syst)] x 10{sup -5} and {Beta}(B{sup 0} {yields} J/{psi}{eta}K{sub S}{sup 0}) = [8.4 {+-} 2.6(stat) {+-} 2.7(syst)] x 10{sup -5}; and we set an upper limit of {Beta}[B{sup {+-}} {yields} X(3872)K{sup {+-}} {yields} J/{psi}{eta}K{sup {+-}}] < 7.7 x 10{sup -6} at 90% confidence level. The branching fraction of decay chain {Beta}(B{sup {+-}} {yields} DK{sup {+-}} {yields} {pi}{sup +}{pi}{sup -}{pi}{sup 0}K{sup {+-}}) = [5.5 {+-} 1.0(stat) {+-} 0.7(syst)] x 10{sup -6} with 229 x 10{sup 6} B{bar B} events at {Upsilon}(4S) resonance, here D represents the neutral D meson. The decay rate asymmetry is A = 0.02 {+-} 0.16(stat) {+-} 0.03(syst) for this full decay chain. This decay can be used to extract the unitarity angle {gamma}, a weak CP violation phase, through the interference of decay production of D{sup 0} and {bar D}{sup 0} to {pi}{sup +}{pi}{sup -}{pi}{sup 0}.

  3. Study of charmonium resonances in the gg -> K0SK pi- and gg -> K K-pi pi-pi0 processes

    SciTech Connect

    Biassoni, Pietro; /U. Milan, Dept. Phys.

    2012-02-22

    This thesis reports the analysis of the e{sup +}e{sup -} {yields} e{sup +}e{sup -}K{sub S}{sup 0}K{sup {+-}}{pi}{sup {-+}} and e{sup +}e{sup -} {yields} e{sup +}e{sup -}K{sup +}K{sup -}{pi}{sup +}{pi}{sup -}{pi}{sup 0} processes using the final dataset of the BABAR experiment located at the SLAC National Accelerator Laboratory. From previous measurements, the K{sub S}{sup 0}K{sup {+-}}{pi}{sup {-+}} final state is known to show a clear signal from the {eta}{sub c}(2S) particle. This c{bar c} state escaped detection for almost twenty years and its properties are still not well established on the experimental ground, while accurate predictions exist on the theoretical side. The e{sup +}e{sup -} {yields} e{sup +}e{sup -}K{sup +}K{sup -}{pi}{sup +}{pi}{sup -}{pi}{sup 0} process is first studied in this thesis. An accurate determination of the {eta}{sub c}(2S) properties is obtained in the K{sub S}{sup 0}K{sup {+-}}{pi}{sup {-+}} decay mode. We also report the first observation of {eta}{sub c}(2S) and other charmonium states to the K{sup +}K{sup -}{pi}{sup +}{pi}{sup -}{pi}{sup 0} final state. The results of this thesis have been published in Physical Review D, and will be useful to test theoretical models describing the charmonium system. The thesis is organized in four chapters. The first one gives a brief introduction of the theoretical models used to describe the charmonium system. The second one discuss the current status of conventional and exotic charmonium spectroscopy, reporting recent experimental results and their interpretation. The third Chapter is devoted to describe the BABAR experiment. The analysis technique and results are described in Chapter 4. Finally, conclusions from this analysis are drawn.

  4. Film stacking architecture for immersion lithography process

    NASA Astrophysics Data System (ADS)

    Goto, Tomohiro; Sanada, Masakazu; Miyagi, Tadashi; Shigemori, Kazuhito; Kanaoka, Masashi; Yasuda, Shuichi; Tamada, Osamu; Asai, Masaya

    2008-03-01

    In immersion lithography process, film stacking architecture will be necessary due to film peeling. However, the architecture will restrict lithographic area within a wafer due to top side EBR accuracy In this paper, we report an effective film stacking architecture that also allows maximum lithographic area. This study used a new bevel rinse system on RF3 for all materials to make suitable film stacking on the top side bevel. This evaluation showed that the new bevel rinse system allows the maximum lithographic area and a clean wafer edge. Patterning defects were improved with suitable film stacking.

  5. Flexible interconnects for fuel cell stacks

    DOEpatents

    Lenz, David J.; Chung, Brandon W.; Pham, Ai Quoc

    2004-11-09

    An interconnect that facilitates electrical connection and mechanical support with minimal mechanical stress for fuel cell stacks. The interconnects are flexible and provide mechanically robust fuel cell stacks with higher stack performance at lower cost. The flexible interconnects replace the prior rigid rib interconnects with flexible "fingers" or contact pads which will accommodate the imperfect flatness of the ceramic fuel cells. Also, the mechanical stress of stacked fuel cells will be smaller due to the flexibility of the fingers. The interconnects can be one-sided or double-sided.

  6. One-dimensional chain constructed via H-bonding and ?-? stacking interactions based on the building block of NiL 2·0.5Me 2CO (HL= N-(8-quinolyl)salicylaldimine): Synthesis, crystal structure, magnetic property and DFT calculation

    NASA Astrophysics Data System (ADS)

    Xu, H.; Ni, Z. P.; Ren, X. M.; Meng, Q. J.

    2005-10-01

    A compound, NiL 2·0.5Me 2CO ( 1), was synthesized and structurally characterized. In crystal of 1, the solvent molecule of Me 2CO lies on a 2-fold axis, and the Ni(II) ion was coordinated by two tridente ligands and the core of NiN 4O 2 shows a distortedly octahedral coordination geometry. Two molecules of NiL 2 form a ?-dimer and which further connect with each other via H-bonding interaction. The H-bonding interactions between adjacent ?-dimers link them into 1D chain. The investigation of magnetic susceptibility measurements indicated that the magnetic coupling interaction within a ?-dimer is very weak and the zero-field-splitting dominates the magnetic behavior. DFT calculation revealed that the unpaired electrons in NiL 2 mostly localizes on Ni(II) ion and does not delocalize to the ligands, which lead the two molecules within a ?-dimer to possess weak magnetic coupling interaction via ?⋯? stacking interaction of ligands that consists with the analysis of the magnetic properties.

  7. Stacking in RNA: NMR of Four Tetramers Benchmark Molecular Dynamics

    PubMed Central

    2015-01-01

    Molecular dynamics (MD) simulations for RNA tetramers r(AAAA), r(CAAU), r(GACC), and r(UUUU) are benchmarked against 1H–1H NOESY distances and 3J scalar couplings to test effects of RNA torsion parametrizations. Four different starting structures were used for r(AAAA), r(CAAU), and r(GACC), while five starting structures were used for r(UUUU). On the basis of X-ray structures, criteria are reported for quantifying stacking. The force fields, AMBER ff99, parmbsc0, parm99?_Yil, ff10, and parmTor, all predict experimentally unobserved stacks and intercalations, e.g., base 1 stacked between bases 3 and 4, and incorrect ?, ?, and sugar pucker populations. The intercalated structures are particularly stable, often lasting several microseconds. Parmbsc0, parm99?_Yil, and ff10 give similar agreement with NMR, but the best agreement is only 46%. Experimentally unobserved intercalations typically are associated with reduced solvent accessible surface area along with amino and hydroxyl hydrogen bonds to phosphate nonbridging oxygens. Results from an extensive set of MD simulations suggest that recent force field parametrizations improve predictions, but further improvements are necessary to provide reasonable agreement with NMR. In particular, intramolecular stacking and hydrogen bonding interactions may not be well balanced with the TIP3P water model. NMR data and the scoring method presented here provide rigorous benchmarks for future changes in force fields and MD methods. PMID:26082675

  8. Debuncher Cooling Limitations to Stacking

    SciTech Connect

    Halling, Mike

    1991-08-13

    During the January studies period we performed studies to determine the effect that debuncher cooling has on the stacking rate. Two different sets of measurements were made separated by about a week. Most measurements reported here are in PBAR log 16, page 243-247. These measurements were made by changing the accelerator timeline to give about 6 seconds between 29's, and then gating the cooling systems to simulate reduced cycle times. For the measurement of the momentum cooling effectiveness the gating switches could not be made to work, so the timeline was changed for each measurement. The cooling power of all three systems was about 800 watts for the tests reported here. We now regularly run at 1200 watts per system.

  9. Excitation transfer in stacked quantum dot chains

    NASA Astrophysics Data System (ADS)

    Kanjanachuchai, Songphol; Xu, Ming; Jaffré, Alexandre; Jittrong, Apichart; Chokamnuai, Thitipong; Panyakeow, Somsak; Boutchich, Mohamed

    2015-05-01

    Stacked InAs quantum dot chains (QDCs) on InGaAs/GaAs cross-hatch pattern (CHP) templates yield a rich emission spectrum with an unusual carrier transfer characteristic compared to conventional quantum dot (QD) stacks. The photoluminescent spectra of the controlled, single QDC layer comprise multiple peaks from the orthogonal QDCs, the free-standing QDs, the CHP, the wetting layers and the GaAs substrate. When the QDC layers are stacked, employing a 10 nm GaAs spacer between adjacent QDC layers, the PL spectra are dominated by the top-most stack, indicating that the QDC layers are nominally uncoupled. Under high excitation power densities when the high-energy peaks of the top stack are saturated, however, low-energy PL peaks from the bottom stacks emerge as a result of carrier transfers across the GaAs spacers. These unique PL signatures contrast with the state-filling effects in conventional, coupled QD stacks and serve as a means to quickly assess the presence of electronic coupling in stacks of dissimilar-sized nanostructures.

  10. Effective Stack Design in Air Pollution Control.

    ERIC Educational Resources Information Center

    Clarke, John H.

    1968-01-01

    Stack design problems fall into two general caterories--(1) those of building re-entry, and (2) those of general area pollution. Extensive research has developed adequate information, available in the literature, to permit effective stack design. A major roadblock to effective design has been the strong belief by architects and engineers that high…

  11. Effective Stack Design in Air Pollution Control.

    ERIC Educational Resources Information Center

    Clarke, John H.

    1968-01-01

    Stack design problems fall into two general caterories--(1) those of building re-entry, and (2) those of general area pollution. Extensive research has developed adequate information, available in the literature, to permit effective stack design. A major roadblock to effective design has been the strong belief by architects and engineers that high…

  12. 49 CFR 178.980 - Stacking test.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ...) of this subpart; or (2) The packaging may be tested using a dynamic compression testing machine. The... for the stacking test. (1) All Large Packagings except flexible Large Packaging design types must be... permissible gross mass and stacked on the test Large Packaging; (ii) The calculated superimposed test...

  13. A cross-stacked plasmonic nanowire network for high-contrast femtosecond optical switching.

    PubMed

    Lin, Yuanhai; Zhang, Xinping; Fang, Xiaohui; Liang, Shuyan

    2016-01-01

    We report an ultrafast optical switching device constructed by stacking two layers of gold nanowires into a perpendicularly crossed network, which works at a speed faster than 280 fs with an on/off modulation depth of about 22.4%. The two stacks play different roles in enhancing consistently the optical switching performance due to their different dependence on the polarization of optical electric fields. The cross-plasmon resonance based on the interaction between the perpendicularly stacked gold nanowires and its Fano-coupling with Rayleigh anomaly is the dominant mechanism for such a high-contrast optical switching device. PMID:26676311

  14. A cross-stacked plasmonic nanowire network for high-contrast femtosecond optical switching

    NASA Astrophysics Data System (ADS)

    Lin, Yuanhai; Zhang, Xinping; Fang, Xiaohui; Liang, Shuyan

    2016-01-01

    We report an ultrafast optical switching device constructed by stacking two layers of gold nanowires into a perpendicularly crossed network, which works at a speed faster than 280 fs with an on/off modulation depth of about 22.4%. The two stacks play different roles in enhancing consistently the optical switching performance due to their different dependence on the polarization of optical electric fields. The cross-plasmon resonance based on the interaction between the perpendicularly stacked gold nanowires and its Fano-coupling with Rayleigh anomaly is the dominant mechanism for such a high-contrast optical switching device.

  15. Spectroscopic Signatures of AA' and AB Stacking of Chemical Vapor Deposited Bilayer MoS2.

    PubMed

    Xia, Ming; Li, Bo; Yin, Kuibo; Capellini, Giovanni; Niu, Gang; Gong, Yongji; Zhou, Wu; Ajayan, Pulickel M; Xie, Ya-Hong

    2015-12-22

    Prominent resonance Raman and photoluminescence spectroscopic differences between AA' and AB stacked bilayer molybdenum disulfide (MoS2) grown by chemical vapor deposition are reported. Bilayer MoS2 islands consisting of the two stacking orders were obtained under identical growth conditions. Resonance Raman and photoluminescence spectra of AA' and AB stacked bilayer MoS2 were obtained on Au nanopyramid surfaces under strong plasmon resonance. Both resonance Raman and photoluminescence spectra show distinct features indicating clear differences in interlayer interaction between these two phases. The implication of these findings on device applications based on spin and valley degrees of freedom will be discussed. PMID:26536495

  16. Wind induced vibration of a stack

    SciTech Connect

    Chen, S.S.; Cai, Y.

    1992-12-01

    A stack supported by guy wires at four levels is subjected to large-amplitude oscillations when the wind speed is over 15 m/s. The excitation mechanisms are identified based on scoping calculations, analytical prediction using a finite element code, and observation of the stack/wire response. The stack is determined to be excited by vortex shedding. Once lock-in resonance occurs, the guy wires are excited by the transverse motion of the stack. Large-amplitude oscillations of the guy wires are due to parametric resonance. Several methods are recommended to alleviate vibrational problem for short-term and long-term solutions. A new stack which is modified based on the results of this study is not subjected to any unacceptable oscillations.

  17. Wind induced vibration of a stack

    SciTech Connect

    Chen, S.S.; Cai, Y.

    1992-01-01

    A stack supported by guy wires at four levels is subjected to large-amplitude oscillations when the wind speed is over 15 m/s. The excitation mechanisms are identified based on scoping calculations, analytical prediction using a finite element code, and observation of the stack/wire response. The stack is determined to be excited by vortex shedding. Once lock-in resonance occurs, the guy wires are excited by the transverse motion of the stack. Large-amplitude oscillations of the guy wires are due to parametric resonance. Several methods are recommended to alleviate vibrational problem for short-term and long-term solutions. A new stack which is modified based on the results of this study is not subjected to any unacceptable oscillations.

  18. Modular fuel-cell stack assembly

    DOEpatents

    Patel, Pinakin (Danbury, CT)

    2010-07-13

    A fuel cell assembly having a plurality of fuel cells arranged in a stack. An end plate assembly abuts the fuel cell at an end of said stack. The end plate assembly has an inlet area adapted to receive an exhaust gas from the stack, an outlet area and a passage connecting the inlet area and outlet area and adapted to carry the exhaust gas received at the inlet area from the inlet area to the outlet area. A further end plate assembly abuts the fuel cell at a further opposing end of the stack. The further end plate assembly has a further inlet area adapted to receive a further exhaust gas from the stack, a further outlet area and a further passage connecting the further inlet area and further outlet area and adapted to carry the further exhaust gas received at the further inlet area from the further inlet area to the further outlet area.

  19. Barrier RF stacking at Fermilab

    SciTech Connect

    Weiren Chou et al.

    2003-06-04

    A key issue to upgrade the luminosity of the Tevatron Run2 program and to meet the neutrino requirement of the NuMI experiment at Fermilab is to increase the proton intensity on the target. This paper introduces a new scheme to double the number of protons from the Main Injector (MI) to the pbar production target (Run2) and to the pion production target (NuMI). It is based on the fact that the MI momentum acceptance is about a factor of four larger than the momentum spread of the Booster beam. Two RF barriers--one fixed, another moving--are employed to confine the proton beam. The Booster beams are injected off-momentum into the MI and are continuously reflected and compressed by the two barriers. Calculations and simulations show that this scheme could work provided that the Booster beam momentum spread can be kept under control. Compared with slip stacking, a main advantage of this new method is small beam loading effect thanks to the low peak beam current. The RF barriers can be generated by an inductive device, which uses nanocrystal magnet alloy (Finemet) cores and fast high voltage MOSFET switches. This device has been designed and fabricated by a Fermilab-KEK-Caltech team. The first bench test was successful. Beam experiments are being planned.

  20. Memory Stacking in Hierarchical Networks.

    PubMed

    Westö, Johan; May, Patrick J C; Tiitinen, Hannu

    2016-02-01

    Robust representations of sounds with a complex spectrotemporal structure are thought to emerge in hierarchically organized auditory cortex, but the computational advantage of this hierarchy remains unknown. Here, we used computational models to study how such hierarchical structures affect temporal binding in neural networks. We equipped individual units in different types of feedforward networks with local memory mechanisms storing recent inputs and observed how this affected the ability of the networks to process stimuli context dependently. Our findings illustrate that these local memories stack up in hierarchical structures and hence allow network units to exhibit selectivity to spectral sequences longer than the time spans of the local memories. We also illustrate that short-term synaptic plasticity is a potential local memory mechanism within the auditory cortex, and we show that it can bring robustness to context dependence against variation in the temporal rate of stimuli, while introducing nonlinearities to response profiles that are not well captured by standard linear spectrotemporal receptive field models. The results therefore indicate that short-term synaptic plasticity might provide hierarchically structured auditory cortex with computational capabilities important for robust representations of spectrotemporal patterns. PMID:26654206

  1. Casimir effect for a stack of conductive planes

    NASA Astrophysics Data System (ADS)

    Khusnutdinov, Nail; Kashapov, Rashid; Woods, Lilia M.

    2015-08-01

    The Casimir interaction in a stack of equally spaced infinitely thin layers is investigated within the zero-frequency mode summation method. The response properties are considered to be described by a constant conductivity or by a Drude-Lorentz model with a finite set of oscillators consistent with the optical characteristics for graphite. It is found that the asymptotic distance dependence is affected significantly by the specific response. While the energy is ˜1 /d3 for the constant conductivity model, the energy exhibits fractional dependence ˜1 /d5 /2 for the Drude-Lorentz description. The Casimir force on a plane is also strongly dependent upon the particular plane location in the stack. Furthermore, the calculated Casimir energy within the Drude-Lorentz model yields results in good agreement with measured cohesion energy in graphite.

  2. Stacking of metal chelates with benzene: can dispersion-corrected DFT be used to calculate organic-inorganic stacking?

    PubMed

    Malenov, Dušan P; Ninkovi?, Dragan B; Zari?, Snežana D

    2015-03-16

    CCSD(T)/CBS energies for stacking of nickel and copper chelates are calculated and used as benchmark data for evaluating the performance of dispersion-corrected density functionals for calculating the interaction energies. The best functionals for modeling the stacking of benzene with the nickel chelate are M06HF-D3 with the def2-TZVP basis set, and B3LYP-D3 with either def2-TZVP or aug-cc-pVDZ basis set, whereas for copper chelate the PBE0-D3 with def2-TZVP basis set yielded the best results. M06L-D3 with aug-cc-pVDZ gives satisfying results for both chelates. Most of the tested dispersion-corrected density functionals do not reproduce the benchmark data for stacking of benzene with both nickel (no unpaired electrons) and copper chelate (one unpaired electron), whereas a number of these functionals perform well for interactions of organic molecules. PMID:25630762

  3. Dynamical stability of slip-stacking particles

    NASA Astrophysics Data System (ADS)

    Eldred, Jeffrey; Zwaska, Robert

    2014-09-01

    We study the stability of particles in slip-stacking configuration, used to nearly double proton beam intensity at Fermilab. We introduce universal area factors to calculate the available phase space area for any set of beam parameters without individual simulation. We find perturbative solutions for stable particle trajectories. We establish Booster beam quality requirements to achieve 97% slip-stacking efficiency. We show that slip-stacking dynamics directly correspond to the driven pendulum and to the system of two standing-wave traps moving with respect to each other.

  4. Carboxyl-peptide plane stacking is important for stabilization of buried E305 of Trichoderma reesei Cel5A.

    PubMed

    He, Chunyan; Chen, Jingfei; An, Liaoyuan; Wang, Yefei; Shu, Zhiyu; Yao, Lishan

    2015-01-26

    Hydrogen bonds or salt bridges are usually formed to stabilize the buried ionizable residues. However, such interactions do not exist for two buried residues D271 and E305 of Trichoderma reesei Cel5A, an endoglucanase. Mutating D271 to alanine or leucine improves the enzyme thermostability quantified by the temperature T50 due to the elimination of the desolvation penalty of the aspartic acid. However, the same mutations for E305 decrease the enzyme thermostability. Free energy calculations based on the molecular dynamics simulation predict the thermostability of D271A, D271L, and E305A (compared to WT) in line with the experimental observation but overestimate the thermostability of E305L. Quantum mechanical calculations suggest that the carboxyl-peptide plane stacking interactions occurring to E305 but not D271 are important for the carboxyl group stabilization. For the protonated carboxyl group, the interaction energy can be as much as about -4 kcal/mol for parallel stacking and about -7 kcal/mol for T-shaped stacking. For the deprotonated carboxyl group, the largest interaction energies for parallel stacking and T-shaped stacking are comparable, about -7 kcal/mol. The solvation effect generally weakens the interaction, especially for the charged system. A search of the carboxyl-peptide plane stacking in the PDB databank indicates that parallel stacking but not T-shaped stacking is quite common, and the most probable distance between the two stacking fragments is close to the value predicted by the QM calculations. This work highlights the potential role of carboxyl amide π-π stacking in the stabilization of aspartic acid and glutamic acid in proteins. PMID:25569819

  5. Stacked vapor fed amtec modules

    DOEpatents

    Sievers, Robert K.

    1989-01-01

    The present invention pertains to a stacked AMTEC module. The invention includes a tubular member which has an interior. The member is comprised of a ion conductor that substantially conducts ions relative to electrons, preferably a beta"-alumina solid electrolyte, positioned about the interior. A porous electrode for conducting electrons and allowing sodium ions to pass therethrough, and wherein electrons and sodium ions recombine to form sodium is positioned about the beta"-alumina solid electrolyte. The electrode is operated at a temperature and a pressure that allows the recombined sodium to vaporize. Additionally, an outer current collector grid for distributing electrons throughout the porous electrode is positioned about and contacts the porous electrode. Also included in the invention is transporting means for transporting liquid sodium to the beta"-alumina solid electrolyte of the tubular member. A transition piece is positioned about the interior of the member and contacts the transporting means. The transition piece divides the member into a first cell and a second cell such that each first and second cell has a beta"-alumina solid electrolyte, a first and second porous electrode and a grid. The transition piece conducts electrons from the interior of the tubular member. There is supply means for supplying sodium to the transporting means. Preferably the supply means is a shell which surrounds the tubular member and is operated at a temperature such that the vaporized sodium condenses thereon. Returning means for returning the condensed sodium from the shell to the transporting means provides a continuous supply of liquid sodium to the transporting means. Also, there are first conducting means for conducting electric current from the transition piece which extends through the shell, and second conducting means for conducting electric current to the grid of the first cell which extends through the shell.

  6. Beam loading compensation for slip stacking

    SciTech Connect

    James Steimel; Tim Berenc; Claudio Rivetta

    2003-06-04

    This paper discusses the beam loading compensation requirements to make slip stacking practical in the Fermilab main injector. It also discusses some of the current plans for meeting these requirements with a digital, direct RF feedback system.

  7. 40 CFR 61.33 - Stack sampling.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... EMISSION STANDARDS FOR HAZARDOUS AIR POLLUTANTS National Emission Standard for Beryllium § 61.33 Stack... Administrator. (d) All samples shall be analyzed and beryllium emissions shall be determined within 30...

  8. 40 CFR 61.33 - Stack sampling.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... EMISSION STANDARDS FOR HAZARDOUS AIR POLLUTANTS National Emission Standard for Beryllium § 61.33 Stack... Administrator. (d) All samples shall be analyzed and beryllium emissions shall be determined within 30...

  9. 40 CFR 61.33 - Stack sampling.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... EMISSION STANDARDS FOR HAZARDOUS AIR POLLUTANTS National Emission Standard for Beryllium § 61.33 Stack... Administrator. (d) All samples shall be analyzed and beryllium emissions shall be determined within 30...

  10. 40 CFR 61.33 - Stack sampling.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... EMISSION STANDARDS FOR HAZARDOUS AIR POLLUTANTS National Emission Standard for Beryllium § 61.33 Stack... results reported to the Administrator. (d) All samples shall be analyzed and beryllium emissions shall...

  11. 40 CFR 61.33 - Stack sampling.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... EMISSION STANDARDS FOR HAZARDOUS AIR POLLUTANTS National Emission Standard for Beryllium § 61.33 Stack... Administrator. (d) All samples shall be analyzed and beryllium emissions shall be determined within 30...

  12. Characterization of Piezoelectric Stacks for Space Applications

    NASA Technical Reports Server (NTRS)

    Sherrit, Stewart; Jones, Christopher; Aldrich, Jack; Blodget, Chad; Bao, Xiaoqi; Badescu, Mircea; Bar-Cohen, Yoseph

    2008-01-01

    Future NASA missions are increasingly seeking to actuate mechanisms to precision levels in the nanometer range and below. Co-fired multilayer piezoelectric stacks offer the required actuation precision that is needed for such mechanisms. To obtain performance statistics and determine reliability for extended use, sets of commercial PZT stacks were tested in various AC and DC conditions at both nominal and high temperatures and voltages. In order to study the lifetime performance of these stacks, five actuators were driven sinusoidally for up to ten billion cycles. An automated data acquisition system was developed and implemented to monitor each stack's electrical current and voltage waveforms over the life of the test. As part of the monitoring tests, the displacement, impedance, capacitance and leakage current were measured to assess the operation degradation. This paper presents some of the results of this effort.

  13. Stack Characterization System Development and Testing

    SciTech Connect

    Noakes, Mark W; Lind, Randall F; Lloyd, Peter D; Pin, Francois G; Rowe, John C

    2011-01-01

    Oak Ridge National Laboratory, as well as the rest of the U.S. Department of Energy community, has numerous off-gas stacks that need to be decommissioned, demolished, and packaged for disposal. Disposal requires a waste disposition determination phase. Process knowledge typically makes a worst-case scenario decision that may place lower-level waste into a more expensive higher-level waste disposal category. Truly useful radiological and chemical sampling can be problematic on old stacks due to their inherent height and access hazards, and many of these stacks have begun to deteriorate structurally. A remote stack characterization system (SCS) that can manage sample and data collection removes people from the hazards and provides an opportunity for access to difficult to reach internal stack areas. The SCS is a remotely operated articulated radiological data recovery system designed to deploy down into off-gas stacks from the top via crane. The battery-powered SCS is designed to stabilize itself against the stack walls and move various data recovery systems into areas of interest on the inner stack walls. Stabilization is provided by a tripod structure; sensors are mounted in a rotatable bipod underneath the tripod. Sensors include a beta/gamma/alpha detector, a removable contaminant multi-sample automated sampler, and a multi-core remote core drill. Multiple cameras provide remote task viewing, support for sampling, and video documentation of the process. A delay in funding has delayed project delivery somewhat. Therefore, this paper describes the technology and shows fabrication and testing progress to the extent that data is available.

  14. Evaluating user interfaces for stack mode viewing

    NASA Astrophysics Data System (ADS)

    Atkins, M. Stella; Kirkpatrick, Arthur E.; Knight, Adelle; Forster, Bruce

    2007-03-01

    The goal of this research was to evaluate two different stack mode layouts for 3D medical images - a regular stack mode layout where just the topmost image was visible, and a new stack mode layout, which included the images just before and after the main image. We developed stripped down user interfaces to test the techniques, and designed a look-alike radiology task using 3D artificial target stimuli implanted in the slices of medical image volumes. The task required searching for targets and identifying the range of slices containing the targets. Eight naive students participated, using a within-subjects design. We measured the response time and accuracy of subjects using the two layouts and tracked the eyegaze of several subjects while they performed the task. Eyegaze data was divided into fixations and saccades Subjects were 19% slower with the new stack layout than the standard stack layout, but 5 of the 8 subjects preferred the new layout. Analysis of the eyegaze data showed that in the new technique, the context images on both sides were fixated once the target was found in the topmost image. We believe that the extra time was caused by the difficulty in controlling the rate of scrolling, causing overshooting. We surmise that providing some contextual detail such as adjacent slices in the new stack mode layout is helpful to reduce cognitive load for this radiology look-alike task.

  15. Multi-Stacked Supported Lipid Bilayer Micropatterning through Polymer Stencil Lift-Off.

    PubMed

    Zhu, Yujie; Negmi, Ahmed; Moran-Mirabal, Jose

    2015-01-01

    Complex multi-lamellar structures play a critical role in biological systems, where they are present as lamellar bodies, and as part of biological assemblies that control energy transduction processes. Multi-lamellar lipid layers not only provide interesting systems for fundamental research on membrane structure and bilayer-associated polypeptides, but can also serve as components in bioinspired materials or devices. Although the ability to pattern stacked lipid bilayers at the micron scale is of importance for these purposes, limited work has been done in developing such patterning techniques. Here, we present a simple and direct approach to pattern stacked supported lipid bilayers (SLBs) using polymer stencil lift-off and the electrostatic interactions between cationic and anionic lipids. Both homogeneous and phase-segregated stacked SLB patterns were produced, demonstrating that the stacked lipid bilayers retain lateral diffusivity. We demonstrate patterned SLB stacks of up to four bilayers, where fluorescence resonance energy transfer (FRET) and quenching was used to probe the interactions between lipid bilayers. Furthermore, the study of lipid phase behaviour showed that gel phase domains align between adjacent layers. The proposed stacked SLB pattern platform provides a robust model for studying lipid behaviour with a controlled number of bilayers, and an attractive means towards building functional bioinspired materials or devices. PMID:26343733

  16. Multi-Stacked Supported Lipid Bilayer Micropatterning through Polymer Stencil Lift-Off

    PubMed Central

    Zhu, Yujie; Negmi, Ahmed; Moran-Mirabal, Jose

    2015-01-01

    Complex multi-lamellar structures play a critical role in biological systems, where they are present as lamellar bodies, and as part of biological assemblies that control energy transduction processes. Multi-lamellar lipid layers not only provide interesting systems for fundamental research on membrane structure and bilayer-associated polypeptides, but can also serve as components in bioinspired materials or devices. Although the ability to pattern stacked lipid bilayers at the micron scale is of importance for these purposes, limited work has been done in developing such patterning techniques. Here, we present a simple and direct approach to pattern stacked supported lipid bilayers (SLBs) using polymer stencil lift-off and the electrostatic interactions between cationic and anionic lipids. Both homogeneous and phase-segregated stacked SLB patterns were produced, demonstrating that the stacked lipid bilayers retain lateral diffusivity. We demonstrate patterned SLB stacks of up to four bilayers, where fluorescence resonance energy transfer (FRET) and quenching was used to probe the interactions between lipid bilayers. Furthermore, the study of lipid phase behaviour showed that gel phase domains align between adjacent layers. The proposed stacked SLB pattern platform provides a robust model for studying lipid behaviour with a controlled number of bilayers, and an attractive means towards building functional bioinspired materials or devices. PMID:26343733

  17. Photonic band gap of a graphene-embedded quarter-wave stack

    SciTech Connect

    Fan, Yuancheng; Wei, Zeyong; Li, Hongqiang; Chen, Hong; Soukoulis, Costas M

    2013-12-10

    Here, we present a mechanism for tailoring the photonic band structure of a quarter-wave stack without changing its physical periods by embedding conductive sheets. Graphene is utilized and studied as a realistic, two-dimensional conductive sheet. In a graphene-embedded quarter-wave stack, the synergic actions of Bragg scattering and graphene conductance contributions open photonic gaps at the center of the reduced Brillouin zone that are nonexistent in conventional quarter-wave stacks. Such photonic gaps show giant, loss-independent density of optical states at the fixed lower-gap edges, of even-multiple characteristic frequency of the quarter-wave stack. The conductive sheet-induced photonic gaps provide a platform for the enhancement of light-matter interactions.

  18. Significant effect of stacking on the electronic and optical properties of few-layer black phosphorus

    NASA Astrophysics Data System (ADS)

    ?ak?r, Deniz; Sevik, Cem; Peeters, Francois M.

    2015-10-01

    The effect of the number of stacking layers and the type of stacking on the electronic and optical properties of bilayer and trilayer black phosphorus are investigated by using first-principles calculations within the framework of density functional theory. We find that inclusion of many-body effects (i.e., electron-electron and electron-hole interactions) modifies strongly both the electronic and optical properties of black phosphorus. While trilayer black phosphorus with a particular stacking type is found to be a metal by using semilocal functionals, it is predicted to have an electronic band gap of 0.82 eV when many-body effects are taken into account within the G0W0 scheme. Though different stacking types result in similar energetics, the size of the band gap and the optical response of bilayer and trilayer phosphorene are very sensitive to the number of layers and the stacking type. Regardless of the number of layers and the type of stacking, bilayer and trilayer black phosphorus are direct band gap semiconductors whose band gaps vary within a range of 0.3 eV. Stacking arrangements that are different from the ground state structure in both bilayer and trilayer black phosphorus exhibit significant modified valence bands along the zigzag direction and result in larger hole effective masses. The optical gap of bilayer (trilayer) black phosphorus varies by 0.4 (0.6) eV when changing the stacking type. The calculated binding energy of the bound exciton hardly changes with the type of stacking and is found to be 0.44 (0.30) eV for bilayer (trilayer) phosphorous.

  19. A study of the excited states in cytosine and guanine stacks in the Hartree-Fock and exciton approximations

    SciTech Connect

    Grobelsek-Vracko, M.; Zaider, M. )

    1994-04-01

    We report calculated exciton energies for the cytosine and guanine stacks obtained in the ab initio Hartree-Fock crystal orbital and exciton approximation, which includes the excited electron-hole interaction. This interaction plays an important role in the description of excited electron spectra in the low-energy region. The stacks were chosen as examples of polymers with helical symmetry. 21 refs., 3 figs., 3 tabs.

  20. Stacking in colloidal nanoplatelets: tuning excitonic properties.

    PubMed

    Guzelturk, Burak; Erdem, Onur; Olutas, Murat; Kelestemur, Yusuf; Demir, Hilmi Volkan

    2014-12-23

    Colloidal semiconductor quantum wells, also commonly known as nanoplatelets (NPLs), have arisen among the most promising materials for light generation and harvesting applications. Recently, NPLs have been found to assemble in stacks. However, their emerging characteristics essential to these applications have not been previously controlled or understood. In this report, we systematically investigate and present excitonic properties of controlled column-like NPL assemblies. Here, by a controlled gradual process, we show that stacking in colloidal quantum wells substantially increases exciton transfer and trapping. As NPLs form into stacks, surprisingly we find an order of magnitude decrease in their photoluminescence quantum yield, while the transient fluorescence decay is considerably accelerated. These observations are corroborated by ultraefficient Förster resonance energy transfer (FRET) in the stacked NPLs, in which exciton migration is estimated to be in the ultralong range (>100 nm). Homo-FRET (i.e., FRET among the same emitters) is found to be ultraefficient, reaching levels as high as 99.9% at room temperature owing to the close-packed collinear orientation of the NPLs along with their large extinction coefficient and small Stokes shift, resulting in a large Förster radius of ?13.5 nm. Consequently, the strong and long-range homo-FRET boosts exciton trapping in nonemissive NPLs, acting as exciton sink centers, quenching photoluminescence from the stacked NPLs due to rapid nonradiative recombination of the trapped excitons. The rate-equation-based model, which considers the exciton transfer and the radiative and nonradiative recombination within the stacks, shows an excellent match with the experimental data. These results show the critical significance of stacking control in NPL solids, which exhibit completely different signatures of homo-FRET as compared to that in colloidal nanocrystals due to the absence of inhomogeneous broadening. PMID:25469555

  1. Frustration and correlations in stacked triangular-lattice Ising antiferromagnets

    NASA Astrophysics Data System (ADS)

    Burnell, F. J.; Chalker, J. T.

    2015-12-01

    We study multilayer triangular-lattice Ising antiferromagnets with interlayer interactions that are weak and frustrated in an abc stacking. By analyzing a coupled height model description of these systems, we show that they exhibit a classical spin liquid regime at low temperature, in which both intralayer and interlayer correlations are strong but there is no long-range order. Diffuse scattering in this regime is concentrated on a helix in reciprocal space, as observed for charge ordering in the materials LuFe2O4 and YbFe2O4 .

  2. Manifold gasket accommodating differential movement of fuel cell stack

    DOEpatents

    Kelley, Dana A. (New Milford, CT); Farooque, Mohammad (Danbury, CT)

    2007-11-13

    A gasket for use in a fuel cell system having at least one externally manifolded fuel cell stack, for sealing the manifold edge and the stack face. In accordance with the present invention, the gasket accommodates differential movement between the stack and manifold by promoting slippage at interfaces between the gasket and the dielectric and between the gasket and the stack face.

  3. Time-dependent amplitude analysis of $B^0 \\to K^0_S\\pi^ pi^-$

    SciTech Connect

    Aubert, B.

    2009-05-26

    In this paper we present results from a time-dependent amplitude analysis of the B{sup 0} {yields} K{sup 0}{sub s}{pi}{sup +}{pi}{sup -} decay. In Sec. II we describe the time-dependent DP formalism, and introduce the signal parameters that are extracted in the fit to data. In Sec. III we briefly describe the BABAR detector and the data set. In Sec. IV, we explain the selection requirements used to obtain the signal candidates and suppress backgrounds. In Sec. V we describe the fit method and the approach used to control experimental effects such as resolution. In Sec. VI we present the results of the fit, and extract parameters relevant to the contributing intermediate resonant states. In Sec. VII we discuss systematic uncertainties in the results, and finally we summarize the results in Sec. VIII.

  4. Measurement of direct photon emission in the K(L) ---> pi+ pi- gamma decay mode

    SciTech Connect

    Abouzaid, E.; Arenton, M.; Barker, A.R.; Bellantoni, L.; Bellavance, A.; Blucher, E.; Bock, G.J.; Cheu, E.; Coleman, R.; Corcoran, M.D.; Corti, G.; /Virginia U. /Wisconsin U., Madison

    2006-04-01

    In this paper the KTeV collaboration reports the analysis of 112.1 x 10{sup 3} candidate K{sub L} {yields} {pi}{sup +}{pi}{sup -}{gamma} decays including a background of 671 {+-} 41 events with the objective of determining the photon production mechanisms intrinsic to the decay process. These decays have been analyzed to extract the relative contributions of the Cp violating bremsstrahlung process and the CP conserving M1 and CP violating E1 direct photon emission processes. The M1 direct photon emission amplitude and its associated vector form factor parameterized as |{bar g}{sub M1}|(1 + a{sub 1}/a{sub 2}/(M{sub {rho}}{sup 2}-M{sub K}{sup 2}) + 2M{sub K}E{sub {gamma}}) have been measured to be |{bar g}{sub M1}| = 1.198 {+-} 0.035(stat) {+-} 0.086(syst) and a{sub 1}/a{sub 2} = =0.738 {+-} 0.007(stat) {+-} 0.018(syst) GeV{sup 2}/c{sup 2} respectively. An upper limit for the CP violating E1 direct emission amplitude |g{sub E1}| {le} 0.1 (90%CL) has been found. The overall ratio of direct photon emission (DE) to total photon emission including the bremsstrahlung process (IB) has been determined to be DE/(DE + IB) = 0.689 {+-} 0.021 for E{sub {gamma}} {ge} 20 MeV.

  5. Measurement of CP-violation asymmetries in $D^0 \\to K_S \\pi^+ \\pi^-$

    SciTech Connect

    Aaltonen, T.; Alvarez Gonzalez, B.; Amerio, S.; Amidei, D.; Anastassov, A.; Annovi, A.; Antos, J.; Apollinari, G.; Appel, J.A.; Arisawa, T.; Artikov, A.; /Dubna, JINR /Texas A-M

    2012-07-01

    We report a measurement of time-integrated CP-violation asymmetries in the resonant substructure of the three-body decay D{sup 0} {yields} K{sub s}{sup 0}{pi}{sup +}{pi}{sup -} using CDF II data corresponding to 6.0 fb{sup -1} of integrated luminosity from Tevatron p{bar p} collisions at {radical}s=1.96 TeV. The charm mesons used in this analysis come from D*{sup +}(2010){yields}D*{sup -}{pi}{sup +} and D*-(2010){yields}{bar D}{sup 0}{pi}{sup -}, where the production flavor of the charm meson is determined by the charge of the accompanying pion. We apply a Dalitz-amplitude analysis for the description of the dynamic decay structure and use two complementary approaches, namely a full Dalitz-plot fit employing the isobar model for the contributing resonances and a model-independent bin-by-bin comparison of the D{sup 0} and {bar D}{sup -}{sup 0} Dalitz plots. We find no CP-violation effects and measure an asymmetry of A{sub CP}=(-0.05 {+-}0.57(stat){+-}0.54(syst))% for the overall integrated CP-violation asymmetry, CP-violation asymmetry, consistent with the standard model prediction.

  6. Low energy single pion production processes {pi}N{r_arrow}{pi}{pi}N

    SciTech Connect

    Jensen, T.S.; Miranda, A.F.

    1997-03-01

    Using baryon chiral perturbation theory (B{chi}PTh), explicitly including the {Delta}(1232) and N{sup {asterisk}}(1440) baryon resonances only, we compute for incoming {pi}{sup {plus_minus}}P channels with kinetic energy under 400 MeV, total cross sections, angular distributions, and various final state correlation functions and compare these with available experimental data in this energy range. Threshold isospin amplitudes are extracted from the calculated fully covariant perturbative amplitudes. No attempt is made to fit this data. The necessary input parameters were all taken from separate experimental data. The results appear to be generally encouraging for B{chi}PTh. {copyright} {ital 1997} {ital The American Physical Society}

  7. Measurement of the dipion mass spectrum in X(3872) ---> J/psi pi+ pi- decays

    SciTech Connect

    Abulencia, A.; Acosta, D.; Adelman, Jahred A.; Affolder, Anthony A.; Akimoto, T.; Albrow, M.G.; Ambrose, D.; Amerio, S.; Amidei, D.; Anastassov, A.; Anikeev, K.; /Taiwan, Inst. Phys. /Argonne /Barcelona, IFAE /Baylor U. /INFN, Bologna /Bologna U. /Brandeis U. /UC, Davis /UCLA /UC, San Diego /UC, Santa Barbara

    2005-12-01

    The authors measure the dipion mass spectrum in X(3872) {yields} J/{psi}{pi}{sup +}{pi}{sup -} decays using 360 pb{sup -1} of {bar p}p collisions at {radical}s = 1.96 TeV collected with the CDF II detector. The spectrum is fit with predictions for odd C-parity ({sup 3}S{sub 1}, {sup 1}P{sub 1}, and {sup 3}D{sub J}) charmonia decaying to J/{psi}{pi}{sup +}{pi}{sup -}, as well as event C-parity states in which the pions are from {rho}{sup 0} decay. The latter case also encompasses exotic interpretations, such as a D{sup 0}{bar D}*{sup 0} molecule. Only the {sup 3}S{sub 1} and J/{psi} {rho} hypotheses are compatible with the data. Since {sup 3}S{sub 1} is untenable on other grounds, decay via J/{psi} {rho} is favored, which implies C = +1 for the X(3872). Models for different J/{psi}-{rho} angular momenta L are considered. Flexibility in the models, especially the introduction of {rho}-{omega} interference, enable good descriptions of the data for both L = 0 and 1.

  8. Dalitz-Plot Analysis of the Decays B+/- -> K+/- pi-/+ pi+/-

    SciTech Connect

    Aubert, B.; Barate, R.; Boutigny, D.; Couderc, F.; Karyotakis, Y.; Lees, J.P.; Poireau, V.; Tisserand, V.; Zghiche, A.; Grauges, E.; Palano, A.; Pappagallo, M.; Pompili, A.; Chen, J.C.; Qi, N.D.; Rong, G.; Wang, P.; Zhu, Y.S.; Eigen, G.; Ofte, I.; Stugu, B. /Bergen U. /LBL, Berkeley /UC, Berkeley /Birmingham U. /Ruhr U., Bochum /Bristol U. /British Columbia U. /Brunel U. /Novosibirsk, IYF /UC, Irvine /UCLA /UC, Riverside /UC, San Diego /UC, Santa Barbara /UC, Santa Cruz /Caltech /Cincinnati U. /Colorado U. /Colorado State U. /Dortmund U. /Dresden, Tech. U. /Ecole Polytechnique /Edinburgh U. /Ferrara U. /INFN, Ferrara /Frascati /Genoa U. /INFN, Genoa /Harvard U. /Heidelberg U. /Imperial Coll., London /Iowa U. /Iowa State U. /Orsay, LAL /LLNL, Livermore /Liverpool U. /Queen Mary, U. of London /Royal Holloway, U. of London /Louisville U. /Manchester U. /Maryland U. /Massachusetts U., Amherst /MIT, LNS /McGill U. /Milan U. /INFN, Milan /Mississippi U. /Montreal U. /Mt. Holyoke Coll. /Naples U. /INFN, Naples /NIKHEF, Amsterdam /Notre Dame U. /Ohio State U. /Oregon U. /Padua U. /INFN, Padua /Paris U., VI-VII /Pennsylvania U. /Perugia U. /INFN, Perugia /Pisa U. /INFN, Pisa /Prairie View A-M /Princeton U. /Rome U. /INFN, Rome /Rostock U. /Rutherford /DAPNIA, Saclay /University of South Carolina, Columbia, South Carolina 29208, USA /SLAC /Stanford U., Phys. Dept. /SUNY, Stony Brook /Tennessee U. /Texas U. /Texas U., Dallas /Turin U. /INFN, Turin /Trieste U. /INFN, Trieste /Valencia U., IFIC /Vanderbilt U. /Victoria U. /Warwick U. /Wisconsin U., Madison /Yale U. /Yale U. /Yale U. /Yale U. /Yale U. /Yale U. /Yale U. /Yale U. /Yale U. /Yale U. /Yale U. /Yale U. /Yale U. /Yale U. /Yale U. /Yale U. /Yale U. /Yale U. /Yale U. /Yale U. /Yale U.

    2005-10-04

    We report a Dalitz-plot analysis of the charmless hadronic decays of charged B mesons to the state K{sup {+-}} {pi}{sup {-+}}{pi}{sup {+-}}. Using a sample of 226.0 {+-} 2.5 million B{bar B}pairs collected by the BABAR detector, measure the magnitudes and phases of the intermediate resonant and nonresonant amplitudes both charge conjugate decays. We present measurements of the corresponding branching and their charge asymmetries that supersede those of previous BABAR analyses. We find the asymmetries to be consistent with zero.

  9. Using $X(3823)\\to J/\\psi\\pi^+\\pi^-$ to Identify Coupled-Channel Effects

    SciTech Connect

    Wang, Bo; Xu, Hao; Liu, Xiang; Chen, Dian-Yong; Coito, Susana; Eichten, Estia

    2015-07-28

    Very recently, a new charmonium-like state X(3823) was observed by the Belle and BESIII experiments, which is a good candidate of D-wave charmonium ψ(13D2). Since the X(3872) is just below the DD¯ * threshold, the decay X(3823) → J/ψπ+π - can be a golden channel to test the significance of coupled-channel effects. In this work, this decay is considered including both the hidden-charm dipion and the usual QCDME contributions. The partial decay width, the dipion invariant mass spectrum distribution dΓ[X(3823) → J/ψπ+π - ]/dmπ +π- , and the corresponding dΓ[X(3823) → J/ψπ+π- ]/d cos θ distribution are computed. Many parameters are determined from existing experimental data, leaving the results mainly dependent on only one unknown phase between the QCDME and hidden-charm dipion amplitudes.

  10. S-wave K- pi+ system in D+ ---> K- pi+ pi+ decays from Fermilab E791

    SciTech Connect

    Meadows, B.T.; /Cincinnati U.

    2005-06-01

    A new approach to the analysis of three body decays is presented. Model-independent results are obtained for the S-wave K{pi} amplitude as a function of K{pi} invariant mass. These are compared with results from K{sup -}{pi}{sup +} elastic scattering, and the prediction of the Watson theorem, that the phase behavior be the same below K{eta}' threshold, is tested. Contributions from I = 1/2 and I = 3/2 are not resolved in this study. If I = 1/2 dominates, however, the Watson theorem does not describe these data well.

  11. Search for b --> u Transitions in B^{+-} --> [K^{-+} pi^{+-} pi0]_D K^{+-} Decays

    SciTech Connect

    Lees, J.P.; Poireau, V.; Tisserand, V.; Garra Tico, J.; Grauges, E.; Martinelli, M.; Milanes, D.A.; Palano, A.; Pappagallo, M.; Eigen, G.; Stugu, B.; Sun, L.; Brown, D.N.; Kerth, L.T.; Kolomensky, Yu.G.; Lynch, G.; Koch, H.; Schroeder, T.; Asgeirsson, D.J.; Hearty, C.; Mattison, T.S.; /British Columbia U. /Brunel U. /Novosibirsk, IYF /UC, Irvine /UC, Riverside /UC, Santa Barbara /UC, Santa Cruz /Caltech /Cincinnati U. /Colorado U. /Colorado State U. /Dortmund U. /Dresden, Tech. U. /Ecole Polytechnique /Edinburgh U. /INFN, Ferrara /INFN, Ferrara /Ferrara U. /INFN, Ferrara /Frascati /INFN, Genoa /Genoa U. /INFN, Genoa /INFN, Genoa /Genoa U. /INFN, Genoa /Indian Inst. Tech., Guwahati /Harvard U. /Harvey Mudd Coll. /Heidelberg U. /Humboldt U., Berlin /Imperial Coll., London /Iowa State U. /Iowa State U. /Johns Hopkins U. /Paris U., VI-VII /LLNL, Livermore /Liverpool U. /Queen Mary, U. of London /Royal Holloway, U. of London /Royal Holloway, U. of London /Louisville U. /Mainz U., Inst. Kernphys. /Manchester U. /Maryland U. /Massachusetts U., Amherst /MIT /McGill U. /INFN, Milan /Milan U. /INFN, Milan /INFN, Milan /Milan U. /Mississippi U. /Montreal U. /INFN, Naples /Naples U. /NIKHEF, Amsterdam /NIKHEF, Amsterdam /Notre Dame U. /Ohio State U. /Oregon U. /INFN, Padua /Padua U. /INFN, Padua /INFN, Padua /Padua U. /Paris U., VI-VII /INFN, Perugia /Perugia U. /INFN, Pisa /Pisa U. /INFN, Pisa /Pisa, Scuola Normale Superiore /INFN, Pisa /Pisa U. /INFN, Pisa /INFN, Pisa /Pisa U. /INFN, Pisa /Princeton U. /INFN, Rome /INFN, Rome /Rome U. /INFN, Rome /INFN, Rome /Rome U. /INFN, Rome /Rostock U. /Rutherford /DAPNIA, Saclay /SLAC /South Carolina U. /Southern Methodist U. /Stanford U., Phys. Dept. /SUNY, Albany /Tel Aviv U. /Tennessee U. /Texas Nuclear Corp., Austin /Texas U., Dallas /INFN, Turin /Turin U. /INFN, Trieste /Trieste U. /Valencia U. /Victoria U. /Warwick U. /Wisconsin U., Madison

    2011-08-12

    The authors present a study of the decays B{sup {+-}} {yields} DK{sup {+-}} with D mesons reconstructed in the K{sup +}{pi}{sup -}{pi}{sup 0} or K{sup -}{pi}{sup +}{pi}{sup 0} final states, where D indicates a D{sup 0} or a {bar D}{sup 0} meson. Using a sample of 474 million B{bar B} pairs collected with the BABAR detector at the PEP-II asymmetric-energy e{sup +}e{sup -} collider at SLAC, they measure the ratios R{sup {+-}} {triple_bond} {Lambda}(B{sup {+-}}{yields}[K{sup {-+}}{pi}{sup {+-}}{pi}{sup 0}]{sub D}K{sup {+-}})/{Lambda}(B{sup {+-}}{yields}[K{sup {+-}}{pi}{sup {-+}}{pi}{sup 0}]{sub D}K{sup {+-}}). They obtain R{sup +} = (5{sub -10}{sup +12}(stat){sub -4}{sup +2}(syst)) x 10{sup -3} and R{sup -} = (12{sub -10}{sup +12}(stat){sub -5}{sup +3}(syst)) x 10{sup -3}, from which they extract the upper limits at 90% probability: R{sup +} < 23 x 10{sup -3} and R{sup -} < 29 x 10{sup -3}. Using these measurements, they obtain an upper limit for the ratio r{sub B} of the magnitudes of the b {yields} u and b {yields} c amplitudes r{sub B} < 0.13 at 90% probability.

  12. CP violation in the D0 -> pi+ pi- decay at CDF

    SciTech Connect

    Morello, Michael Joseph

    2010-12-01

    We report a measurement of the CP violating asymmetry in D{sup 0} {yields} {pi}{sup +}{pi}{sup -} decays using approximately 215,000 decays reconstructed in about 5.94 fb{sup -1} of CDF data. We use the strong D*{sup +} {yields} D{sup 0}{pi}{sup +} decay ('D* tag') to identify the flavor of the charmed meson at production time and exploit CP-conserving strong c{bar c} pair-production in p{bar p} collisions. Higher statistic samples of Cabibbo-favored D{sup 0} {yields} K{sup -}{pi}{sup +} decays with and without D* tag are used to highly suppress systematic uncertainties due to detector effects. The result, A{sub CP}(D{sup 0} {yields} {pi}{sup +}{pi}{sup -}) = [0.22 {+-} 0.24 (stat.) {+-} 0.11 (syst.)]%, is the world's most precise measurement to date and it is fully consistent with no CP violation.

  13. Precision Measurement of CP Violation in $D^0\\to\\pi^+\\pi^-$ at CDF

    SciTech Connect

    Di Canto, Angelo

    2010-11-01

    We report a preliminary measurement of the CP violating asymmetry in D{sup 0} {yields} {pi}{sup +}{pi}{sup -} using approximately 215,000 decays reconstructed in about 5.94/fb of CDF data. We use the strong D* {+-} D{sup 0}{pi}{sup +} decay (D* tag) to identify the flavor of the charmed meson at production time and exploit CP-conserving strong c-{bar c} pair-production in p-{bar p} collisions. Higher statistic samples of Cabibbo-favored D{sup 0} {yields} K{sup -}{pi}{sup +} decays with and without D* tag are used to highly suppress systematic uncertainties due to detector effects. The result is the world's most precise measurement to date.

  14. Recent results on K{omega} and {pi}{pi} systems from LASS

    SciTech Connect

    Aston, D.; Bienz, T.; Bird, F.; Dunwoodie, W.; Johnson, W.B.; Kunz, P.; Kwon, Y.; Leith, D.W.G.S.; Levinson, L.; Ratcliff, B.N.; Rensing, P.; Schultz, D.; Shapiro, S.; Sinervo, P.K.; Tarnopolsky, G.; Toge, N.; Waite, A.; Williams, S.; Awaji, N.; Fujii, K.; Hayashii, H.; Iwata, S.; Kajikawa, R.; Matsui, T.; Miyamoto, A.; Ozaki, H.; Pak, C.O.; Shimomura, T.; Sugiyama, A.; Suzuki, S.; Tauchi, T.; D`Amore, J.; Endorf, R.; Martinez, J.; Meadows, B.T.; Nussbaum, M.; Ukai, K.

    1991-12-01

    Preliminary results from ongoing analyses of the K{sup minus}{omega} and the hypercharge exchange produced {pi}{sup minus}{pi}{sup +} systems are presented. The data described are taken from a 4.1 event/nb exposure of the LASS spectrometer to an 11 GeV/cK{sup minus} beam.

  15. Recent results on K. omega. and. pi. pi. systems from LASS

    SciTech Connect

    Aston, D.; Bienz, T.; Bird, F.; Dunwoodie, W.; Johnson, W.B.; Kunz, P.; Kwon, Y.; Leith, D.W.G.S.; Levinson, L.; Ratcliff, B.N.; Rensing, P.; Schultz, D.; Shapiro, S.; Sinervo, P.K.; Tarnopolsky, G.; Toge, N.; Waite, A.; Williams, S. ); Awaji, N.; Fujii, K.; Hayashii, H.; Iwata, S.; Kajikawa, R.; Matsui, T.; Miyamoto, A.; Ozaki, H.; Pak, C.O.; Shimomura, T.

    1991-12-01

    Preliminary results from ongoing analyses of the K{sup minus}{omega} and the hypercharge exchange produced {pi}{sup minus}{pi}{sup +} systems are presented. The data described are taken from a 4.1 event/nb exposure of the LASS spectrometer to an 11 GeV/cK{sup minus} beam.

  16. The K- pi+ S-wave from the D+ --> k- pi+ pi+ Decay

    SciTech Connect

    Link, J.M.; Yager, P.M.; Anjos, J.C.; Bediaga, I.; Castromonte, C.; Machado, A.A.; Magnin, J.; Massafferri, A.; de Miranda, J.M.; Pepe, I.M.; Polycarpo, E.; /Rio de Janeiro, CBPF /CINVESTAV, IPN /Colorado U. /Fermilab /Frascati /Guanajuato U. /Illinois U. /Indiana U. /Korea U. /Kyungpook National U. /Milan U.

    2009-05-01

    Using data from FOCUS (E831) experiment at Fermilab, we present a model independent partial-wave analysis of the K{sup -}{pi}{sup +} S-wave amplitude from the decay D{sup +} {yields} K{sup -}{pi}{sup +}{pi}{sup +}. The S-wave is a generic complex function to be determined directly from the data fit. The P- and D-waves are parameterized by a sum of Breit-Wigner amplitudes. The measurement of the S-wave amplitude covers the whole elastic range of the K{sup -}{pi}{sup +} system.

  17. The K- pi+ S-wave from the D+ --> K- pi+ pi+ Decay

    SciTech Connect

    Link, J.M.; Yager, P.M.; Anjos, J.C.; Bediaga, I.; Castromonte, C.; Machado, A.A.; Magnin, J.; Massafferri, A.; de Miranda, J.M.; Pepe, I.M.; Polycarpo, E.; /Rio de Janeiro, CBPF /CINVESTAV, IPN /Colorado U. /Fermilab /Frascati /Guanajuato U. /Illinois U. /Indiana U. /Korea U. /Kyungpook National U. /Milan U.

    2009-05-01

    Using data from FOCUS (E831) experiment at Fermilab, we present a model independent partial-wave analysis of the K{sup -}{pi}{sup +} S-wave amplitude from the decay D{sup +} {yields} K{sup -}{pi}{sup +}{pi}{sup +}. The S-wave is a generic complex function to be determined directly from the data fit. The P- and D-waves are parameterized by a sum of Breit-Wigner amplitudes. The measurement of the S-wave amplitude covers the whole elastic range of the K{sup -}{sup +} system.

  18. Dalitz Plot Analysis of $B^0_d \\to K+ \\pi^- \\pi^0$ Decays

    SciTech Connect

    Yu, Zhitang; /Wisconsin U., Madison

    2006-05-05

    This thesis describes a Dalitz plot analysis of B{sup 0} {yields} K{sup +}{pi}{sup -}{pi}{sup 0} decays. The data sample comprises 213 million {Upsilon}(4S) {yields} B{bar B} decays collected with the BABAR detector at the PEP-II asymmetric-energy B Factory at the Stanford Linear Accelerator Center in California (SLAC). Preliminary results are presented for measurements of the inclusive branching fraction, quasi-two-body fractions and CP-violating charge asymmetries for intermediate states including K*(892){sup +}{pi}{sup -} and {rho}(770){sup -}K{sup +}. Observations of B{sup 0} decays to the K{pi} S-wave intermediate states, K*{sub 0}(1430){sup +}{pi}{sup -} and K*{sub 0}(1430){sup 0}{pi}{sup 0}, are reported. Evidence of the decay B{sup 0} {yields} K*(892){sup 0}{pi}{sup 0} is seen. We set upper limits at 90% confidence level on branching fractions of the nonresonant and other less significant intermediate states.

  19. Transition nucleon resonance electrocouplings from CLAS data on pi+pi-p electroproduction off protons.

    SciTech Connect

    Victor Mokeev

    2011-10-01

    Electrocouplings of excited proton states with masses less than 1.8 GeV were determined for the first time from the CLAS data on {pi}{sup +}{pi}{sup -}p electroproduction at photon virtualities Q{sup 2} < 1.5 GeV {sup 2}. Electrocouplings were obtained from a combined fit of all available observables within the framework of a phenomenological reaction model. Accurate information on the Q{sup 2}-evolution of {gamma}{sub virt}NN* electrocouplings for many excited proton states with masses less than 1.8 GeV and at photon virtualities up to 1.5 GeV{sup 2} have become available from CLAS data on {pi}{sup +}{pi}{sup -}p electroproduction. These results open up new opportunities for theory to explore confinement mechanisms in the baryon sector through their manifestation in the structure of excited proton states of various quantum numbers, as it was outlined. The analysis reported here covers the range of photon virtualities, where both meson-baryon and quark degrees of freedom can be relevant. Our results on high lying N* electrocouplings for the first time make it possible to explore the transition from meson-baryon to quark degrees of freedom in the structure of excited proton states with masses above 1.6 GeV within the framework of dynamical coupled channel approaches under development in EBAC at Jefferson Lab.

  20. Dalitz-plot Analysis of B0 -> anti-D0 pi pi-

    SciTech Connect

    del Amo Sanchez, P.; Lees, J.P.; Poireau, V.; Prencipe, E.; Tisserand, V.; Garra Tico, J.; Grauges, E.; Martinelli, M.; Palano, A.; Pappagallo, M.; Eigen, G.; Stugu, B.; Sun, L.; Battaglia, M.; Brown, David Nathan; Hooberman, B.; Kerth, L.T.; Kolomensky, Yu.G.; Lynch, G.; Osipenkov, I.L.; Tanabe, T.; ,

    2010-08-25

    The authors report preliminary results from a study of the decay B{sup 0} {yields} {bar D}{sup 0}{pi}{sup +}{pi}{sup -} using a data sample of 470.9 {+-} 2.8 million B{bar B} events collected with the BABAR detector at the {Upsilon}(4S) resonance. Using the Dalitz-plot analysis technique, they find contributions from the intermediate resonances D*{sub 2}(2460){sup -}, D*{sub 0}(2400){sup -}, {rho}(770){sup 0} and f{sub 2}(1270) as well as a {pi}{sup +}{pi}{sup -} S-wave term, a {bar D}{sup 0}{pi}{sup -} nonresonant S-wave term and a virtual D*(2010) amplitude. They measure the branching fractions of the contributing decays.

  1. Search For the Highly Suppressed Decays B- -> K+ pi- pi- and B- -> K- K- pi+

    SciTech Connect

    Aubert, Bernard; Bona, M.; Karyotakis, Y.; Lees, J.P.; Poireau, V.; Prencipe, E.; Prudent, X.; Tisserand, V.; Garra Tico, J.; Grauges, E.; Lopez, L.; Palano, Antimo; Pappagallo, M.; Eigen, G.; Stugu, Bjarne; Sun, L.; Abrams, G.S.; Battaglia, M.; Brown, D.N.; Cahn, Robert N.; Jacobsen, R.G.; /LBL, Berkeley /Birmingham U. /Ruhr U., Bochum /Bristol U. /British Columbia U. /Brunel U. /Novosibirsk, IYF /UC, Irvine /UCLA /UC, Riverside /UC, San Diego /UC, Santa Barbara /UC, Santa Cruz /Caltech /Cincinnati U. /Colorado U. /Colorado State U. /Dortmund U. /Dresden, Tech. U. /Ecole Polytechnique /Edinburgh U. /Ferrara U. /INFN, Ferrara /Frascati /Genoa U. /INFN, Genoa /Harvard U. /Heidelberg U. /Humboldt U., Berlin /Imperial Coll., London /Iowa U. /Iowa State U. /Johns Hopkins U. /Orsay, LAL /LLNL, Livermore /Liverpool U. /Queen Mary, U. of London /Royal Holloway, U. of London /Louisville U. /Mainz U., Inst. Kernphys. /Manchester U. /Maryland U. /Massachusetts U., Amherst /MIT /McGill U. /Consorzio Milano Ricerche /INFN, Milan /Mississippi U. /Montreal U. /Mt. Holyoke Coll. /Napoli Seconda U. /INFN, Naples /NIKHEF, Amsterdam /Notre Dame U. /Ohio State U. /Oregon U. /Padua U. /INFN, Padua /Paris U., VI-VII /Pennsylvania U. /Perugia U. /INFN, Perugia /INFN, Pisa /Princeton U. /Banca di Roma /Frascati /Rostock U. /Rutherford /DAPNIA, Saclay /South Carolina U. /SLAC /Stanford U., Phys. Dept. /SUNY, Albany /Tennessee U. /Texas U. /Texas U., Dallas /Turin U. /INFN, Turin /Trieste U. /INFN, Trieste /Valencia U., IFIC /Victoria U. /Warwick U. /Wisconsin U., Madison

    2008-08-11

    The authors report a search for the decays B{sup -} {yields} K{sup +}{pi}{sup -}{pi}{sup -} and B{sup -} {yields} K{sup -}K{sup -}{pi}{sup +}, which are highly suppressed in the Standard Model. Using a sample of (467 {+-} 5) x 10{sup 6} B{bar B} pairs collected with the BABAR detector, they do not see any evidence of these decays and determine 90% confidence level upper limits of {Beta}(B{sup -} {yields} K{sup +}{pi}{sup -}{pi}{sup -}) < 9.5 x 10{sup -7} and {Beta}(B{sup -} {yields} K{sup -}K{sup -}{pi}{sup +}) < 1.6 x 10{sup -7} on the corresponding branching fractions, including systematic uncertainties.

  2. Measurement of the Branching Ratio Lambda_c+ -> p pi+ pi-

    SciTech Connect

    Lopez-Hinojosa, Guillermo; /San Luis Potosi U.

    2008-03-01

    The confirmation of the Cabibbo-suppressed charm baryon decay mode {Lambda}{sub c}{sup +} {yields} p{pi}{sup +}{pi}{sup -} is reported. All data analyzed are from SELEX, a fixed target experiment at Fermilab that took data during 1996 and 1997, mainly with a 600 GeV/c {Sigma}{sup -} beam. The branching ratio of the Cabibbo-suppressed decay mode {Lambda}{sub c}{sup +} {yields} p{pi}{sup +}{pi}{sup -} relative to the Cabibbo-favored mode {Lambda}{sub c}{sup +} {yields} pK{sup -}{pi}{sup +} is measured to be: {Gamma}({Lambda}{sub c}{sup +} {yields} p{pi}{sup +}{pi}{sup -})/{Gamma}({Lambda}{sub c}{sup +} {yields} pK{sup -}{pi}{sup +}) = 0.103 {+-} 0.022.

  3. Branching Fraction and Charge Asymmetry Measurements inB to J/psi pi pi Decays

    SciTech Connect

    Aubert, B.; Bona, M.; Boutigny, D.; Karyotakis, Y.; Lees, J.P.; Poireau, V.; Prudent, X.; Tisserand, V.; Zghiche, A.; Garra Tico, J.; Grauges, E.; Lopez, L.; Palano, A.; Eigen, G.; Ofte, I.; Stugu, B.; Sun, L.; Abrams, G.S.; Battaglia, M.; Brown, D.N.; Button-Shafer, J.; /LBL, Berkeley /Birmingham U. /Ruhr U., Bochum /Bristol U. /British Columbia U. /Brunel U. /Novosibirsk, IYF /UC, Irvine /UCLA /UC, Riverside /UC, San Diego /UC, Santa Barbara /UC, Santa Cruz /Caltech /Cincinnati U. /Colorado U. /Colorado State U. /Dortmund U. /Munich, Tech. U. /Ecole Polytechnique /Edinburgh U. /Ferrara U. /Frascati /Genoa U. /Harvard U. /Heidelberg U. /Imperial Coll., London /Iowa U. /Iowa State U. /Johns Hopkins U. /Karlsruhe U. /Orsay, LAL /LLNL, Livermore /Liverpool U. /Queen Mary, U. of London /Royal Holloway, U. of London /Louisville U. /Manchester U. /Maryland U. /Massachusetts U., Amherst /MIT, LNS /McGill U. /Maryland U. /INFN, Milan /Mississippi U. /Montreal U. /Mt. Holyoke Coll. /Naples U. /NIKHEF, Amsterdam /Notre Dame U. /Ohio State U. /Oregon U. /Padua U. /Paris U., VI-VII /Pennsylvania U. /Perugia U. /Pisa U. /Prairie View A-M /Princeton U. /INFN, Rome /Rostock U. /Rutherford /DSM, DAPNIA, Saclay /South Carolina U. /SLAC /Stanford U., Phys. Dept. /SUNY, Albany /Tennessee U. /Texas U. /Texas U., Dallas /Turin U. /Trieste U. /Valencia U., IFIC /Victoria U. /Warwick U. /Wisconsin U., Madison /Yale U.

    2007-04-16

    The authors study the decays B{sup 0} {yields} J/{psi} {pi}{sup +}{pi}{sup -} and B{sup +} {yields} J/{psi} {pi}{sup +}{pi}{sup 0}, including intermediate resonances, using a sample of 382 million B{bar B} pairs recorded by the BABAR detector at the PEP-II e{sup +}e{sup -} B factory. They measure the branching fractions {Beta}(B{sup 0} {yields} J/{psi} {rho}{sup 0}) = (2.7 {+-} 0.3 {+-} 0.17) x 10{sup -5} and {Beta}(B{sup +} {yields} J/{psi} {rho}{sup +}) = (5.0 {+-} 0.7 {+-} 0.31) x 10{sup -5}. The authors also set the following upper limits at the 90% confidence level: {Beta}(B{sup 0} {yields} J/{psi} {pi}{sup +}{pi}{sup -} non-resonant) < 1.2 x 10{sup -5}, {Beta}(B{sup 0} {yields} J/{psi} f{sub 2}) < 4.6 x 10{sup -6}, and {Beta}(B{sup +} {yields} J/{psi} {pi}{sup +}{pi}{sup 0} non-resonant) < 4.4 x 10{sup -6}. They measure the charge asymmetry in charged B decays to J/{psi} {rho} to be -0.11 {+-} 0.12 {+-} 0.08.

  4. Amplitude Analysis of the Decay B0->K+pi-pi0

    SciTech Connect

    Aubert, B.; Bona, M.; Karyotakis, Y.; Lees, J.P.; Poireau, V.; Prencipe, E.; Prudent, X.; Tisserand, V.; Garra Tico, J.; Grauges, E.; Lopez, L.; Palano, Antimo; Pappagallo, M.; Eigen, G.; Stugu, Bjarne; Sun, L.; Abrams, G.S.; Battaglia, M.; Brown, D.N.; Cahn, Robert N.; Jacobsen, R.G.; /LBL, Berkeley /Birmingham U. /Ruhr U., Bochum /Bristol U. /British Columbia U. /Brunel U. /Novosibirsk, IYF /UC, Irvine /UCLA /UC, Riverside /UC, San Diego /UC, Santa Barbara /UC, Santa Cruz /Caltech /Cincinnati U. /Colorado U. /Colorado State U. /Dortmund U. /Dresden, Tech. U. /Ecole Polytechnique /Edinburgh U. /Ferrara U. /INFN, Ferrara /Frascati /Genoa U. /INFN, Genoa /Harvard U. /Heidelberg U. /Humboldt U., Berlin /Imperial Coll., London /Iowa U. /Iowa State U. /Johns Hopkins U. /Orsay, LAL /LLNL, Livermore /Liverpool U. /Queen Mary, U. of London /Royal Holloway, U. of London /Louisville U. /Mainz U., Inst. Kernphys. /Manchester U. /Maryland U. /Massachusetts U., Amherst /MIT /McGill U. /Consorzio Milano Ricerche /INFN, Milan /Mississippi U. /Montreal U. /Mt. Holyoke Coll. /Napoli Seconda U. /INFN, Naples /NIKHEF, Amsterdam /Notre Dame U. /Ohio State U. /Oregon U. /Padua U. /INFN, Padua /Paris U., VI-VII /Pennsylvania U. /Perugia U. /INFN, Perugia /INFN, Pisa /Princeton U. /Banca di Roma /Frascati /Rostock U. /Rutherford /DAPNIA, Saclay /South Carolina U. /SLAC /Stanford U., Phys. Dept. /SUNY, Albany /Tennessee U. /Texas U. /Texas U., Dallas /Turin U. /INFN, Turin /Trieste U. /INFN, Trieste /Valencia U., IFIC /Victoria U. /Warwick U. /Wisconsin U., Madison

    2008-09-03

    We report an updated amplitude analysis of the charmless hadronic decays of neutral B mesons to K{sup +} {pi}{sup -}{pi}{sup 0}. With a sample of 454 million {Upsilon}(4S) {yields} B{bar B} decays collected by the BABAR detector at the PEP-II asymmetric-energy B Factory at SLAC, we measure the magnitudes and phases of the intermediate resonant and nonresonant amplitudes for B{sup 0} and B{sup 0} decays and determine the corresponding CP-averaged fit fractions and charge asymmetries.

  5. Improved measurement of branching fractions for {pi}{pi} transitions among {upsilon}(nS) states

    SciTech Connect

    Bhari, S. R.; Pedlar, T. K.; Cronin-Hennessy, D.; Gao, K. Y.; Hietala, J.; Kubota, Y.; Klein, T.; Lang, B. W.; Poling, R.; Scott, A. W.; Zweber, P.; Dobbs, S.; Metreveli, Z.; Seth, K. K.; Tomaradze, A.; Libby, J.; Martin, L.; Powell, A.; Wilkinson, G.; Ecklund, K. M.

    2009-01-01

    Using samples of (5.93{+-}0.10)x10{sup 6} {upsilon}(3S) decays and (9.11{+-}0.14)x10{sup 6} {upsilon}(2S) decays collected with the CLEO detector, we report improved measurements of the following branching fractions: B({upsilon}(3S){yields}{upsilon}(1S){pi}{sup +}{pi}{sup -})=(4.46{+-}0.01{+-}0.13)%, B({upsilon}(2S){yields}{upsilon}(1S){pi}{sup +}{pi}{sup -})=(18.02{+-}0.02{+-}0.61)%, B({upsilon}(3S){yields}{upsilon}(1S){pi}{sup 0}{pi}{sup 0})=(2.24{+-}0.09{+-}0.11)%, B({upsilon}(2S){yields} {upsilon}(1S){pi}{sup 0}{pi}{sup 0})=(8.43{+-}0.16{+-}0.42)%, and B({upsilon}(3S){yields}{upsilon}(2S){pi}{sup 0}{pi}{sup 0})=(1.82{+-}0.09{+-}0.12)%. In each case, the first uncertainty reported is statistical, while the second is systematic.

  6. Search for tau- ---> 4pi- 3pi+ (pi0) nu/tau Decays

    SciTech Connect

    Ter-Antonian, R.; Kass, R.; Allmendinger, T.; Hast, C.; /SLAC

    2005-06-21

    A search for the decay of the {tau} lepton to seven charged pions and at most one {pi}{sup 0} was performed using the BABAR detector at the PEP-II e{sup +}e{sup -} collider. The analysis uses data recorded on and near the {Upsilon}(4S) resonance between 1999 and 2003, a total of 124.3 fb{sup -1}. They observe 7 events with an expected background of 11.9 {+-} 2.2 events and calculate a preliminary upper limit of BR({tau}{sup -} {yields} 4{pi}{sup -} 3{pi}{sup +}({pi}{sup 0}){nu}{sub {tau}}) < 2.7 x 10{sup -7} at 90% CL. This is a significant improvement over the previous limit established by the CLEO Collaboration.

  7. Stacking of Interferometric Data: New Tools for Stacking of ALMA Data

    NASA Astrophysics Data System (ADS)

    Knudsen, K. K.; Lindroos, L.; Vlemmings, W.; Conway, J.; Martí-Vidal, I.

    2015-12-01

    Radio and mm observations play an important role in determining the star formation properties of high-redshift galaxies. With the unprecedented sensitivity, ALMA now enable studies of faint , distant star-forming galaxies. However, most galaxies with low star formation rates at high redshift are too faint to be detected individually at these wavelengths. A way to study such galaxies is to use stacking. By averaging the emission of a large number of galaxies detected in optical or near-infrared surveys, we can achieve statistical detection. We investigate methods for stacking data from interferometric surveys. Interferometry poses unique challenges in stacking due to the nature of this data. We have compared stacking of uv-data with stacking of imaged data, the latter being the commonly used approach. Using simulated data, we find that uv-stacking may provide up to 50% less noise and that image based stacking systematically loses around 10% of the flux. More importantly, we find that the uv-stacking yield more robust results, especially in the case of (marginally) resolved sources and mosaicked data.

  8. A Late Pleistocene sea level stack

    NASA Astrophysics Data System (ADS)

    Spratt, R. M.; Lisiecki, L. E.

    2015-08-01

    Late Pleistocene sea level has been reconstructed from ocean sediment core data using a wide variety of proxies and models. However, the accuracy of individual reconstructions is limited by measurement error, local variations in salinity and temperature, and assumptions particular to each technique. Here we present a sea level stack (average) which increases the signal-to-noise ratio of individual reconstructions. Specifically, we perform principal component analysis (PCA) on seven records from 0-430 ka and five records from 0-798 ka. The first principal component, which we use as the stack, describes ~80 % of the variance in the data and is similar using either five or seven records. After scaling the stack based on Holocene and Last Glacial Maximum (LGM) sea level estimates, the stack agrees to within 5 m with isostatically adjusted coral sea level estimates for Marine Isotope Stages 5e and 11 (125 and 400 ka, respectively). When we compare the sea level stack with the δ18O of benthic foraminifera, we find that sea level change accounts for about ~40 % of the total orbital-band variance in benthic δ18O, compared to a 65 % contribution during the LGM-to-Holocene transition. Additionally, the second and third principal components of our analyses reflect differences between proxy records associated with spatial variations in the δ18O of seawater.

  9. Technical description of Stack 296-B-5

    SciTech Connect

    Ridge, T.M.

    1994-11-15

    Of particular concern to facilities on the Hanford site is Title 40, Code of Federal Regulations, Chapter 40, Part 61, Subpart H, ``National emission Standards for Emissions of Radionuclides Other Than Radon From Department of Energy Facilities.`` Assessments of facility stacks and potential radionuclide emissions determined whether these stacks would be subject to the sampling and monitoring requirements of 40 CFR 61, Subpart H. Stack 296-B-5 exhausts 221-BB building which houses tanks containing B Plant steam condensate and B Plant process condensate from the operation of the low-level waste concentrator. The assessment of potential radionuclide emissions from the 296-B-5 stack resulted in an effective dose equivalent to the maximally exposed individual of less than 0.1 millirem per year. Therefore, the stack is not subject to the sampling and monitoring requirements of 40 CFR 61, Subpart H. However, the sampling and monitoring system must be in compliance with the Environmental Compliance Manual, WHC-CM-7-5. Currently, 296-B-5 is sampled continuously with a record sampler and continuous air monitor (CAM).

  10. Observation of exclusively ?-stacked heterodimer of indole and hexafluorobenzene in the gas phase

    NASA Astrophysics Data System (ADS)

    Kumar, Sumit; Das, Aloke

    2013-09-01

    In this study, the structure of the indole . . . hexafluorobenzene dimer has been investigated in the gas phase by using resonant two photon ionzation (R2PI) and IR-UV double resonance spectroscopy combined with quantum chemistry calculations. We have confirmed the presence of exclusively ?-stacked structure of the dimer from both experimental and theoretical IR spectra in the N-H stretching region. Observation of a single stable structure of the dimer has also been verified through 3D potential energy surface scan of the ?-stacked dimer by varying the parallel displacement of the hexafluorobenzene unit simultaneously along the major and minor axes of the indole moiety. ?-stacking interaction is present very often between the tryptophan and phenylalanine residues in proteins. But this interaction has not been observed earlier in the gas phase experiment by studying indole . . . benzene dimer because the N-H group of indole predominately directs towards the N-H . . . ? hydrogen bonded T-shaped structure. The chosen molecular systems in this study not only rule out the possibility of the formation of the N-H . . . ? bound T-shaped dimer but also enable the determination of the structure by probing the N-H group. The ?-stacked indole . . . hexafluorobenzene dimer has a unique structure where the center of the hexafluorobenznene ring is aligned with the center of the shared bond of the indole ring. Our work provides useful insight in designing unnatural proteins having strong ?-stacking interaction between the tryptophan and phenylalanine residues.

  11. Observation of exclusively ?-stacked heterodimer of indole and hexafluorobenzene in the gas phase.

    PubMed

    Kumar, Sumit; Das, Aloke

    2013-09-14

    In this study, the structure of the indole···hexafluorobenzene dimer has been investigated in the gas phase by using resonant two photon ionzation (R2PI) and IR-UV double resonance spectroscopy combined with quantum chemistry calculations. We have confirmed the presence of exclusively ?-stacked structure of the dimer from both experimental and theoretical IR spectra in the N-H stretching region. Observation of a single stable structure of the dimer has also been verified through 3D potential energy surface scan of the ?-stacked dimer by varying the parallel displacement of the hexafluorobenzene unit simultaneously along the major and minor axes of the indole moiety. ?-stacking interaction is present very often between the tryptophan and phenylalanine residues in proteins. But this interaction has not been observed earlier in the gas phase experiment by studying indole···benzene dimer because the N-H group of indole predominately directs towards the N-H···? hydrogen bonded T-shaped structure. The chosen molecular systems in this study not only rule out the possibility of the formation of the N-H···? bound T-shaped dimer but also enable the determination of the structure by probing the N-H group. The ?-stacked indole···hexafluorobenzene dimer has a unique structure where the center of the hexafluorobenznene ring is aligned with the center of the shared bond of the indole ring. Our work provides useful insight in designing unnatural proteins having strong ?-stacking interaction between the tryptophan and phenylalanine residues. PMID:24050348

  12. Inflatable containment diaphragm for sealing and removing stacks

    DOEpatents

    Meskanick, G.R.; Rosso, D.T.

    1993-04-13

    A diaphragm with an inflatable torus-shaped perimeter is used to seal at least one end of a stack so that debris that might be hazardous will not be released during removal of the stack. A diaphragm is inserted and inflated in the lower portion of a stack just above where the stack is to be cut such that the perimeter of the diaphragm expands and forms a seal against the interior surface of the stack.

  13. Inflatable containment diaphragm for sealing and removing stacks

    DOEpatents

    Meskanick, Gerald R. (Elizabeth, PA); Rosso, David T. (Pittsburgh, PA)

    1993-01-01

    A diaphragm with an inflatable torus-shaped perimeter is used to seal at least one end of a stack so that debris that might be hazardous will not be released during removal of the stack. A diaphragm is inserted and inflated in the lower portion of a stack just above where the stack is to be cut such that the perimeter of the diaphragm expands and forms a seal against the interior surface of the stack.

  14. Fuel cell stack monitoring and system control

    DOEpatents

    Keskula, Donald H.; Doan, Tien M.; Clingerman, Bruce J.

    2005-01-25

    A control method for monitoring a fuel cell stack in a fuel cell system in which the actual voltage and actual current from the fuel cell stack are monitored. A preestablished relationship between voltage and current over the operating range of the fuel cell is established. A variance value between the actual measured voltage and the expected voltage magnitude for a given actual measured current is calculated and compared with a predetermined allowable variance. An output is generated if the calculated variance value exceeds the predetermined variance. The predetermined voltage-current for the fuel cell is symbolized as a polarization curve at given operating conditions of the fuel cell. Other polarization curves may be generated and used for fuel cell stack monitoring based on different operating pressures, temperatures, hydrogen quantities.

  15. Radiation Tolerant Intelligent Memory Stack (RTIMS)

    NASA Technical Reports Server (NTRS)

    Ng, Tak-kwong; Herath, Jeffrey A.

    2006-01-01

    The Radiation Tolerant Intelligent Memory Stack (RTIMS), suitable for both geostationary and low earth orbit missions, has been developed. The memory module is fully functional and undergoing environmental and radiation characterization. A self-contained flight-like module is expected to be completed in 2006. RTIMS provides reconfigurable circuitry and 2 gigabits of error corrected or 1 gigabit of triple redundant digital memory in a small package. RTIMS utilizes circuit stacking of heterogeneous components and radiation shielding technologies. A reprogrammable field programmable gate array (FPGA), six synchronous dynamic random access memories, linear regulator, and the radiation mitigation circuitries are stacked into a module of 42.7mm x 42.7mm x 13.00mm. Triple module redundancy, current limiting, configuration scrubbing, and single event function interrupt detection are employed to mitigate radiation effects. The mitigation techniques significantly simplify system design. RTIMS is well suited for deployment in real-time data processing, reconfigurable computing, and memory intensive applications.

  16. Basal-plane stacking faults and polymorphism in AlN, GaN, and InN

    SciTech Connect

    Wright, A.F.

    1997-11-01

    Energies of basal-plane stacking faults in wurtzite AlN, GaN, and InN are determined using a one-dimensional Ising-type model incorporating effective layer{endash}layer interactions obtained from density-functional-theory calculations. Stacking-fault energies are found to be largest for AlN and smallest for GaN consistent with density-functional results for the wurtzite/zinc-blende energy differences. Estimates are also given for stacking-fault energies in the zinc-blende structure. The values are negative, consistent with observations that nominal zinc-blende films typically contain large numbers of stacking faults. A related result is that hexagonal structures with stacking sequences repeating after four and six bilayers have lower energies than zinc-blende for all three compounds. {copyright} {ital 1997 American Institute of Physics.}

  17. Guanine base stacking in G-quadruplex nucleic acids

    PubMed Central

    Lech, Christopher Jacques; Heddi, Brahim; Phan, Anh Tuân

    2013-01-01

    G-quadruplexes constitute a class of nucleic acid structures defined by stacked guanine tetrads (or G-tetrads) with guanine bases from neighboring tetrads stacking with one another within the G-tetrad core. Individual G-quadruplexes can also stack with one another at their G-tetrad interface leading to higher-order structures as observed in telomeric repeat-containing DNA and RNA. In this study, we investigate how guanine base stacking influences the stability of G-quadruplexes and their stacked higher-order structures. A structural survey of the Protein Data Bank is conducted to characterize experimentally observed guanine base stacking geometries within the core of G-quadruplexes and at the interface between stacked G-quadruplex structures. We couple this survey with a systematic computational examination of stacked G-tetrad energy landscapes using quantum mechanical computations. Energy calculations of stacked G-tetrads reveal large energy differences of up to 12 kcal/mol between experimentally observed geometries at the interface of stacked G-quadruplexes. Energy landscapes are also computed using an AMBER molecular mechanics description of stacking energy and are shown to agree quite well with quantum mechanical calculated landscapes. Molecular dynamics simulations provide a structural explanation for the experimentally observed preference of parallel G-quadruplexes to stack in a 5?–5? manner based on different accessible tetrad stacking modes at the stacking interfaces of 5?–5? and 3?–3? stacked G-quadruplexes. PMID:23268444

  18. Synthesis of aluminium indium nitride (AlInN) thin films by stacked elemental layers method

    NASA Astrophysics Data System (ADS)

    Afzal, Naveed; Devarajan, Mutharasu; Ibrahim, Kamarulazizi

    2014-07-01

    AlInN thin films were synthesized on Si substrates by using stacked elemental layers (SEL) technique. Three stacking sequence Al/InN, Al/InN/Al/InN and Al/InN/Al/InN/Al/InN were prepared on Si (1 0 0) substrates by reactive RF sputtering of In target in Ar-N2 and DC sputtering of Al target in Ar atmosphere at room temperature. Annealing of the deposited stacks was carried out at 400 °C for 6 h in a three zone tube furnace. Structural properties of the annealed films were investigated using X-ray diffraction (XRD) whereas the surface analysis of the films was carried out using field emission scanning electron microscope (FESEM) and atomic force microscope (AFM). XRD results show the formation of wurtzite AlInN thin films which become more obvious with increasing the stacked layers. FESEM analysis reveals drops-like polycrystalline films structure with randomly oriented grains whereas the AFM results show a decrease in the surface roughness with increasing stacking sequence. The formation of more prominent AlInN films with increase of stacking layers is attributed to a uniform interaction among the top and bottom Al and InN multilayers as a result of the annealing.

  19. Inherent Driving Force for Charge Separation in Curved Stacks of Oligothiophenes

    DOE PAGESBeta

    Wu, Qin

    2015-01-30

    Coexistence of high local charge mobility and an energy gradient can lead to efficient free charge carrier generation from geminate charge transfer states at the donor–acceptor interface in bulk heterojunction organic photovoltaics. It is, however, not clear what polymer microstructures can support such coexistence. Using recent methods from density functional theory, we propose that a stack of similarly curved oligothiophene chains can deliver the requirements for efficient charge separation. Curved stacks are stable because of the polymer’s strong π-stacking ability and because backbone torsions are flexible in neutral chains. However, energy of a charge in a polymer chain has remarkablymore » stronger dependence on torsions. The trend of increasing planarity in curved stacks effectively creates an energy gradient that drives charge in one direction. The curvature of these partially ordered stacks is found to beneficially interact with fullerenes for charge separation. The curved stacks, therefore, are identified as possible building blocks for interfacial structures that lead to efficient free carrier generation in high-performing organic photovoltaic systems.« less

  20. Inherent Driving Force for Charge Separation in Curved Stacks of Oligothiophenes

    SciTech Connect

    Wu, Qin

    2015-01-30

    Coexistence of high local charge mobility and an energy gradient can lead to efficient free charge carrier generation from geminate charge transfer states at the donor–acceptor interface in bulk heterojunction organic photovoltaics. It is, however, not clear what polymer microstructures can support such coexistence. Using recent methods from density functional theory, we propose that a stack of similarly curved oligothiophene chains can deliver the requirements for efficient charge separation. Curved stacks are stable because of the polymer’s strong π-stacking ability and because backbone torsions are flexible in neutral chains. However, energy of a charge in a polymer chain has remarkably stronger dependence on torsions. The trend of increasing planarity in curved stacks effectively creates an energy gradient that drives charge in one direction. The curvature of these partially ordered stacks is found to beneficially interact with fullerenes for charge separation. The curved stacks, therefore, are identified as possible building blocks for interfacial structures that lead to efficient free carrier generation in high-performing organic photovoltaic systems.

  1. Inherent Driving Force for Charge Separation in Curved Stacks of Oligothiophenes

    SciTech Connect

    Wu, Qin

    2015-01-30

    Coexistence of high local charge mobility and an energy gradient can lead to efficient free charge carrier generation from geminate charge transfer states at the donor–acceptor interface in bulk heterojunction organic photovoltaics. It is, however, not clear what polymer microstructures can support such coexistence. Using recent methods from density functional theory, we propose that a stack of similarly curved oligothiophene chains can deliver the requirements for efficient charge separation. Curved stacks are stable because of the polymer’s strong ?-stacking ability and because backbone torsions are flexible in neutral chains. However, energy of a charge in a polymer chain has remarkably stronger dependence on torsions. The trend of increasing planarity in curved stacks effectively creates an energy gradient that drives charge in one direction. The curvature of these partially ordered stacks is found to beneficially interact with fullerenes for charge separation. The curved stacks, therefore, are identified as possible building blocks for interfacial structures that lead to efficient free carrier generation in high-performing organic photovoltaic systems.

  2. Inherent Driving Force for Charge Separation in Curved Stacks of Oligothiophenes.

    PubMed

    Wu, Qin

    2015-06-18

    Coexistence of high local charge mobility and an energy gradient can lead to efficient free charge carrier generation from geminate charge transfer states at the donor-acceptor interface in bulk heterojunction organic photovoltaics. It is, however, not clear what polymer microstructures can support such coexistence. Using recent methods from density functional theory, we propose that a stack of similarly curved oligothiophene chains can deliver the requirements for efficient charge separation. Curved stacks are stable because of the polymer's strong ?-stacking ability and because backbone torsions are flexible in neutral chains. However, energy of a charge in a polymer chain has remarkably stronger dependence on torsions. The trend of increasing planarity in curved stacks effectively creates an energy gradient that drives charge in one direction. The curvature of these partially ordered stacks is found to beneficially interact with fullerenes for charge separation. The curved stacks, therefore, are identified as possible building blocks for interfacial structures that lead to efficient free carrier generation in high-performing organic photovoltaic systems. PMID:25608709

  3. TESTING FOR CPT VIOLATION IN Bstack">0stack">s SEMILEPTONIC DECAYS

    NASA Astrophysics Data System (ADS)

    Kooten, R. Van

    2014-01-01

    A DØ analysis measuring the charge asymmetry Astack">bstack">sl of like-sign dimuon events due to semileptonic b-hadron decays at the Fermilab Tevatron Collider has shown indications of possible anomalous CP violation in the mixing of neutral B mesons. This result has been used to extract the first senstivity to CPT violation in the Bstack">0stack">s system. An analysis to explore further this anomaly by specifically measuring the semileptonic charge asymmetry, astack">sstack">sl, in Bstack">0stack">s decays is described, as well as how a variant of this analysis can be used to explore a larger set of CPT-violating parameters in the Bstack">0stack">s system for the first time.

  4. Fuel cell stack monitoring and system control

    DOEpatents

    Keskula, Donald H.; Doan, Tien M.; Clingerman, Bruce J.

    2004-02-17

    A control method for monitoring a fuel cell stack in a fuel cell system in which the actual voltage and actual current from the fuel cell stack are monitored. A preestablished relationship between voltage and current over the operating range of the fuel cell is established. A variance value between the actual measured voltage and the expected voltage magnitude for a given actual measured current is calculated and compared with a predetermined allowable variance. An output is generated if the calculated variance value exceeds the predetermined variance. The predetermined voltage-current for the fuel cell is symbolized as a polarization curve at given operating conditions of the fuel cell.

  5. Geometry and kinematics of experimental antiformal stacks.

    PubMed

    Gomes; Ferreira

    2000-06-01

    Sandbox experiments with different boundary conditions demonstrate that antiformal stacks result from a forward-breaking thrust sequence. An obstacle blocks forward thrust propagation and transfers the deformation back to the hinterland in a previously formed true duplex. In the hinterland, continued shortening causes faults to merge toward the tectonic transport direction until the older thrusts override the younger thrusts. In experiments using thin sand layers or high basal friction, shortening is accommodated by a cyclic process of thrusting, back rotation of the newly formed thrust combined with strong vertical strain, and nucleation of a new thrust. Continuous deformation produces an antiformal stack through progressive convergence of branch lines. PMID:10932118

  6. Three wafer stacking for 3D integration.

    SciTech Connect

    Greth, K. Douglas; Ford, Christine L.; Lantz, Jeffrey W.; Shinde, Subhash L.; Timon, Robert P.; Bauer, Todd M.; Hetherington, Dale Laird; Sanchez, Carlos Anthony

    2011-11-01

    Vertical wafer stacking will enable a wide variety of new system architectures by enabling the integration of dissimilar technologies in one small form factor package. With this LDRD, we explored the combination of processes and integration techniques required to achieve stacking of three or more layers. The specific topics that we investigated include design and layout of a reticle set for use as a process development vehicle, through silicon via formation, bonding media, wafer thinning, dielectric deposition for via isolation on the wafer backside, and pad formation.

  7. Harry Stack Sullivan Colloquium: George Herbert Mead and Harry Stack Sullivan: an unfinished synthesis.

    PubMed

    Cottrell, L S

    1978-05-01

    HOW DO YOU create a new self? However he may phrase this question, it is a central theoretical and practical concern of the therapist every time he confronts a client who comes to him for help. What are the processes out of which the human self emerges? However he may phrase the question, it is a central concern of the social psychologist. The obvious convergence of interests indicated by these two questions should occasion no surprise among students of Sullivan and Mead. What perhaps should be surprising is that an effective synthesis of their theories has progressed no further than it has to date. My remarks today are based on the conviction that a more adequate psychiatric theory and practice and a more complete social psychological theory and research program depend on such a synthesis. Behavioral scientists concerned with the development of a truly interactionist social psychology are, I believe, generally agreed that George Herbert Mead (1863-1931), philosopher and social psychologist, and Harry Stack Sullivan (1892-1949), psychiatrist and social psychologist, have laid conceptual foundations upon which such a discipline can be erected. Now a vast assortment of activities is tagged as social psychology and its boundaries are, indeed, difficult to draw. However, for our present purposes we can define its focus as the study of the processes and products of inter- and intrapersonal and inter- and intragoup interaction, let the boundaries fall where they will. PMID:349586

  8. Longitudinal ultrasonic vibration assisted guillotining of stacked paper.

    PubMed

    Deibel, Karl-Robert; Kaiser, Fabian; Zimmermann, Remo; Meier, Linus; Bolt, Peter; Wegener, Konrad

    2014-08-01

    Ultrasonic vibration assisted cutting is a complex process with high dynamics. The interaction between cutting tool and workpiece is of key interest to understand the entire process. Experimental investigations are limited by the dynamics of the measurement system, and thus appropriately modeling of the ultrasonic vibration assisted cutting process is essential. In this investigation, a dynamic model regarding the ultrasonic vibration assisted guillotining of stacked paper sheets is developed. A Kelvin-Voigt material model, representing the individual sheets, is chosen, with its stiffness and damping parameters being empirically determined. A novel measurement strategy for studying the contact time and interaction between cutting tool and workpiece is introduced. It allows the verification of the highly dynamic behavior of the developed model. With the dynamic model, the experimentally observed cutting forces can be calculated. It is found that the dynamic forces cause a quicker failure of the material, which leads to a lower compression of the stack prior to reaching the critical cutting force. PMID:24746507

  9. Collective In-Plane Molecular Rotator Based on Dibromoiodomesitylene ?-Stacks.

    PubMed

    Ichikawa, Jun-Ichi; Hoshino, Norihisa; Takeda, Takashi; Akutagawa, Tomoyuki

    2015-10-14

    Interest in artificial solid-state molecular rotator systems is growing as they enable systems to be designed for achieving specific physical functions. The phase transition behavior of four halomesitylene crystals indicated dynamic in-plane molecular rotator characteristics in dibromoiodomesitylene, tribromomesitylene, and dibromomesitylene crystals. Such molecular rotation in diiodomesitylene crystals was suppressed by effective I···I intermolecular interactions. The in-plane molecular rotation accompanied by a change in dipole moment resulted in dielectric phase transitions in polar dibromoiodomesitylene and dibromomesitylene crystals. No dielectric anomaly was observed for the in-plane molecular rotation of tribromomesitylene in the absence of this dipole moment change. Typical antiferroelectric-paraelectric phase transitions were observed in the dibromomesitylene crystal, whereas the dielectric anomaly of dibromoiodomesitylene crystals was associated with the collective in-plane molecular rotation of polar ?-molecules in the ?-stack. We found that the single-rope-like collective in-plane molecular rotator was dominated by intermolecular I···I interactions along the ?-stacking column of polar dibromoiodomesitylene. PMID:26397163

  10. Stacking faults in a layered cobalt tellurium phosphate oxochloride

    NASA Astrophysics Data System (ADS)

    Zimmermann, Iwan; Johnsson, Mats

    2015-02-01

    The new compound Co2Te3(PO4)O6Cl was synthesized by chemical reactions in a sealed and evacuated silica tube. The crystal structure was solved from single crystal diffraction data and is made up by charge neutral layers. Within the layers two types of chains are made up by edge sharing [CoO6] and [CoO5Cl] polyhedra respectively. The chains are separated by tellurium oxide and phosphate building blocks. There are only weak Van der Waals interactions in between the layers and severe diffuse scattering is observed due to faulted stacking of the layers. Structure solutions in a P-1 triclinic cell and a larger monoclinic cell in P21/c are discussed and compared to a computer generated model. The reasons for the stacking faults may be due to that there are two positions available for each layer that results in similar connectivity to the next layer in addition to the relatively wide channels in between the layers that reduce the Van der Waals interactions in between them.

  11. Nonlinear impedances of thermoacoustic stacks with ordered and disordered structures

    NASA Astrophysics Data System (ADS)

    Ge, Huan; Fan, Li; Xia, Jie; Zhang, Shu-Yi; Tao, Sha; Yang, Yue-Tao; Zhang, Hui

    2014-07-01

    Nonlinear impedances of two thermoacoustic stacks with ordered structures (plate-type and pipe-type) and one with a disordered structure (copper mesh) are studied. The linear resistances, nonlinear coefficients and effective acoustic masses of the stacks are extracted from the experimental results based on an analogical model of nonlinear impedances of porous materials. The resistance and nonlinear coefficient of the disordered stack are found to be much larger than those of the ordered stacks, which have similar volume porosities. In the ordered stacks, the resistance is only marginally influenced by the length of the stack, while in the disordered stack, the resistance increases significantly with the length. These characteristics of the impedances of ordered and disordered stacks are explained with the minor loss theory and the tortuosity of a stack.

  12. Development of mechanically stacked tandem concentrator cells

    SciTech Connect

    Cape, J.A.; Fraas, L.M.; McLeod, P.S.; Partain, L.D.

    1987-10-01

    Mechanically stacked, multijunction (MSMJ) solar cells offer an excellent prospect for significantly increased efficiencies in the near term. In this work, we examine several new concepts for a MSMJ solar cell. These MSMJ cell concepts include the following: A GaAsP cell grown on a GaP substrate for stacking onto a silicon cell; a GaSb cell grown lattice-matched on a GaSb substrate for stacking beneath a GaAs cell; and a Ge cell for stacking beneath a GaAs cell. The growth of GaAsP and of GaSb by vacuum chemical epitaxy and the development of GaSb solar cells are described. The development of a germanium solar cell and of a 26.1% GaAs/Ge MSMJ cell is also described. Finally, this work has identified approaches for achieving efficiencies with a MSMJ cell in excess of 30%. 19 refs., 18 figs., 7 tabs.

  13. Scaling the CERN OpenStack cloud

    NASA Astrophysics Data System (ADS)

    Bell, T.; Bompastor, B.; Bukowiec, S.; Castro Leon, J.; Denis, M. K.; van Eldik, J.; Fermin Lobo, M.; Fernandez Alvarez, L.; Fernandez Rodriguez, D.; Marino, A.; Moreira, B.; Noel, B.; Oulevey, T.; Takase, W.; Wiebalck, A.; Zilli, S.

    2015-12-01

    CERN has been running a production OpenStack cloud since July 2013 to support physics computing and infrastructure services for the site. In the past year, CERN Cloud Infrastructure has seen a constant increase in nodes, virtual machines, users and projects. This paper will present what has been done in order to make the CERN cloud infrastructure scale out.

  14. Average Transmission Probability of a Random Stack

    ERIC Educational Resources Information Center

    Lu, Yin; Miniatura, Christian; Englert, Berthold-Georg

    2010-01-01

    The transmission through a stack of identical slabs that are separated by gaps with random widths is usually treated by calculating the average of the logarithm of the transmission probability. We show how to calculate the average of the transmission probability itself with the aid of a recurrence relation and derive analytical upper and lower…

  15. Arrays of stacked metal coordination compounds

    DOEpatents

    Bulkowski, J.E.

    1986-10-21

    A process is disclosed for preparing novel arrays of metal coordination compounds characterized by arrangement of the metal ions, separated by a linking agent, in stacked order one above the other. The process permits great flexibility in the design of the array. For example, layers of different composition can be added to the array at will. 3 figs.

  16. Arrays of stacked metal coordination compounds

    DOEpatents

    Bulkowski, John E. (Newark, DE)

    1986-01-01

    A process is disclosed for preparing novel arrays of metal coordination compounds characterized by arrangement of the metal ions, separated by a linking agent, in stacked order one above the other. The process permits great flexibility in the design of the array. For example, layers of different composition can be added to the array at will.

  17. Revisiting Stacking Fault Energy of Steels

    NASA Astrophysics Data System (ADS)

    Das, Arpan

    2015-12-01

    The stacking fault energy plays an important role in the transition of deformation microstructure. This energy is strongly dependent on the concentration of alloying elements and the temperature under which the alloy is exposed. Extensive literature review has been carried out and investigated that there are inconsistencies in findings on the influence of alloying elements on stacking fault energy. This may be attributed to the differences in chemical compositions, inaccuracy in measurements, and the methodology applied for evaluating the stacking fault energy. In the present research, a Bayesian neural network model is created to correlate the complex relationship between the extent of stacking fault energy with its influencing parameters in different austenitic grade steels. The model has been applied to confirm that the predictions are reasonable in the context of metallurgical principles and other data published in the open literature. In addition, it has been possible to estimate the isolated influence of particular variables such as nickel concentration, which exactly cannot in practice be varied independently. This demonstrates the ability of the method to investigate a new phenomenon in cases where the information cannot be accessed experimentally.

  18. 30 CFR 77.302 - Bypass stacks.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 30 Mineral Resources 1 2012-07-01 2012-07-01 false Bypass stacks. 77.302 Section 77.302 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR COAL MINE SAFETY AND HEALTH MANDATORY SAFETY STANDARDS, SURFACE COAL MINES AND SURFACE WORK AREAS OF UNDERGROUND COAL MINES Thermal Dryers §...

  19. 30 CFR 77.302 - Bypass stacks.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 30 Mineral Resources 1 2014-07-01 2014-07-01 false Bypass stacks. 77.302 Section 77.302 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR COAL MINE SAFETY AND HEALTH MANDATORY SAFETY STANDARDS, SURFACE COAL MINES AND SURFACE WORK AREAS OF UNDERGROUND COAL MINES Thermal Dryers §...

  20. 30 CFR 77.302 - Bypass stacks.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Bypass stacks. 77.302 Section 77.302 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR COAL MINE SAFETY AND HEALTH MANDATORY SAFETY STANDARDS, SURFACE COAL MINES AND SURFACE WORK AREAS OF UNDERGROUND COAL MINES Thermal Dryers §...

  1. 30 CFR 77.302 - Bypass stacks.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 30 Mineral Resources 1 2013-07-01 2013-07-01 false Bypass stacks. 77.302 Section 77.302 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR COAL MINE SAFETY AND HEALTH MANDATORY SAFETY STANDARDS, SURFACE COAL MINES AND SURFACE WORK AREAS OF UNDERGROUND COAL MINES Thermal Dryers §...

  2. 30 CFR 77.302 - Bypass stacks.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 30 Mineral Resources 1 2011-07-01 2011-07-01 false Bypass stacks. 77.302 Section 77.302 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR COAL MINE SAFETY AND HEALTH MANDATORY SAFETY STANDARDS, SURFACE COAL MINES AND SURFACE WORK AREAS OF UNDERGROUND COAL MINES Thermal Dryers §...

  3. Removing Sulphur Dioxide From Stack Gases

    ERIC Educational Resources Information Center

    Slack, A. V.

    1973-01-01

    Process types, process concepts, claims and counterclaims, cost factors, and the level of developed technology for sulfur dioxide control in stack gases are focused upon and evaluated. Wet and dry processes as well as recovery and throwaway processes are compared. (BL)

  4. Revisiting Stacking Fault Energy of Steels

    NASA Astrophysics Data System (ADS)

    Das, Arpan

    2016-02-01

    The stacking fault energy plays an important role in the transition of deformation microstructure. This energy is strongly dependent on the concentration of alloying elements and the temperature under which the alloy is exposed. Extensive literature review has been carried out and investigated that there are inconsistencies in findings on the influence of alloying elements on stacking fault energy. This may be attributed to the differences in chemical compositions, inaccuracy in measurements, and the methodology applied for evaluating the stacking fault energy. In the present research, a Bayesian neural network model is created to correlate the complex relationship between the extent of stacking fault energy with its influencing parameters in different austenitic grade steels. The model has been applied to confirm that the predictions are reasonable in the context of metallurgical principles and other data published in the open literature. In addition, it has been possible to estimate the isolated influence of particular variables such as nickel concentration, which exactly cannot in practice be varied independently. This demonstrates the ability of the method to investigate a new phenomenon in cases where the information cannot be accessed experimentally.

  5. 40 CFR 61.53 - Stack sampling.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... EMISSION STANDARDS FOR HAZARDOUS AIR POLLUTANTS National Emission Standard for Mercury § 61.53 Stack sampling. (a) Mercury ore processing facility. (1) Unless a waiver of emission testing is obtained under § 61.13, each owner or operator processing mercury ore shall test emissions from the source...

  6. 40 CFR 61.53 - Stack sampling.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... EMISSION STANDARDS FOR HAZARDOUS AIR POLLUTANTS National Emission Standard for Mercury § 61.53 Stack sampling. (a) Mercury ore processing facility. (1) Unless a waiver of emission testing is obtained under § 61.13, each owner or operator processing mercury ore shall test emissions from the source...

  7. 40 CFR 61.53 - Stack sampling.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... EMISSION STANDARDS FOR HAZARDOUS AIR POLLUTANTS National Emission Standard for Mercury § 61.53 Stack sampling. (a) Mercury ore processing facility. (1) Unless a waiver of emission testing is obtained under § 61.13, each owner or operator processing mercury ore shall test emissions from the source...

  8. Explosive demolition of K East Reactor Stack

    ScienceCinema

    None

    2010-09-02

    Using $420,000 in Recovery Act funds, the Department of Energy and contractor CH2M HILL Plateau Remediation Company topped off four months of preparations when they safely demolished the exhaust stack at the K East Reactor and equipment inside the reactor building on July 23, 2010.

  9. Explosive demolition of K East Reactor Stack

    SciTech Connect

    2010-07-26

    Using $420,000 in Recovery Act funds, the Department of Energy and contractor CH2M HILL Plateau Remediation Company topped off four months of preparations when they safely demolished the exhaust stack at the K East Reactor and equipment inside the reactor building on July 23, 2010.

  10. SRS reactor stack plume marking tests

    SciTech Connect

    Petry, S.F.

    1992-03-01

    Tests performed in 105-K in 1987 and 1988 demonstrated that the stack plume can successfully be made visible (i.e., marked) by introducing smoke into the stack breech. The ultimate objective of these tests is to provide a means during an emergency evacuation so that an evacuee can readily identify the stack plume and evacuate in the opposite direction, thus minimizing the potential of severe radiation exposure. The EPA has also requested DOE to arrange for more tests to settle a technical question involving the correct calculation of stack downwash. New test canisters were received in 1988 designed to produce more smoke per unit time; however, these canisters have not been evaluated, because normal ventilation conditions have not been reestablished in K Area. Meanwhile, both the authorization and procedure to conduct the tests have expired. The tests can be performed during normal reactor operation. It is recommended that appropriate authorization and procedure approval be obtained to resume testing after K Area restart.

  11. 49 CFR 178.606 - Stacking test.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... compression testing machine. The test must be conducted at room temperature on an empty, unsealed packaging... Testing of Non-bulk Packagings and Packages § 178.606 Stacking test. (a) General. All packaging design... samples are required for each different packaging. For periodic retesting of packagings constructed...

  12. 49 CFR 178.980 - Stacking test.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ...; or (2) The packaging may be tested using a dynamic compression testing machine. The test must be... test. (1) All Large Packagings except flexible Large Packaging design types must be loaded to their... and stacked on the test Large Packaging; (ii) The calculated superimposed test load weight loaded...

  13. 49 CFR 178.980 - Stacking test.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ...; or (2) The packaging may be tested using a dynamic compression testing machine. The test must be... test. (1) All Large Packagings except flexible Large Packaging design types must be loaded to their... and stacked on the test Large Packaging; (ii) The calculated superimposed test load weight loaded...

  14. 49 CFR 178.980 - Stacking test.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ...; or (2) The packaging may be tested using a dynamic compression testing machine. The test must be... test. (1) All Large Packagings except flexible Large Packaging design types must be loaded to their... and stacked on the test Large Packaging; (ii) The calculated superimposed test load weight loaded...

  15. 49 CFR 178.606 - Stacking test.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ...)(1) of this subpart; or (ii) The packaging may be tested using a dynamic compression testing machine... Packagings and Packages § 178.606 Stacking test. (a) General. All packaging design types other than bags must... different packaging. For periodic retesting of packagings constructed of stainless steel, monel, or...

  16. 49 CFR 178.606 - Stacking test.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ...)(1) of this subpart; or (ii) The packaging may be tested using a dynamic compression testing machine... Packagings and Packages § 178.606 Stacking test. (a) General. All packaging design types other than bags must... different packaging. For periodic retesting of packagings constructed of stainless steel, monel, or...

  17. 49 CFR 178.606 - Stacking test.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ...)(1) of this subpart; or (ii) The packaging may be tested using a dynamic compression testing machine... Packagings and Packages § 178.606 Stacking test. (a) General. All packaging design types other than bags must... different packaging. For periodic retesting of packagings constructed of stainless steel, monel, or...

  18. Stack Gas Scrubber Makes the Grade

    ERIC Educational Resources Information Center

    Chemical and Engineering News, 1975

    1975-01-01

    Describes a year long test of successful sulfur dioxide removal from stack gas with a calcium oxide slurry. Sludge disposal problems are discussed. Cost is estimated at 0.6 mill per kwh not including sludge removal. A flow diagram and equations are included. (GH)

  19. Measurement of heat conduction through stacked screens

    NASA Technical Reports Server (NTRS)

    Lewis, M. A.; Kuriyama, T.; Kuriyama, F.; Radebaugh, R.

    1998-01-01

    This paper describes the experimental apparatus for the measurement of heat conduction through stacked screens as well as some experimental results taken with the apparatus. Screens are stacked in a fiberglass-epoxy cylinder, which is 24.4 mm in diameter and 55 mm in length. The cold end of the stacked screens is cooled by a Gifford-McMahon (GM) cryocooler at cryogenic temperature, and the hot end is maintained at room temperature. Heat conduction through the screens is determined from the temperature gradient in a calibrated heat flow sensor mounted between the cold end of the stacked screens and the GM cryocooler. The samples used for these experiments consisted of 400-mesh stainless steel screens, 400-mesh phosphor bronze screens, and two different porosities of 325-mesh stainless steel screens. The wire diameter of the 400-mesh stainless steel and phosphor bronze screens was 25.4 micrometers and the 325-mesh stainless steel screen wire diameters were 22.9 micrometers and 27.9 micrometers. Standard porosity values were used for the experimental data with additional porosity values used on selected experiments. The experimental results showed that the helium gas between each screen enhanced the heat conduction through the stacked screens by several orders of magnitude compared to that in vacuum. The conduction degradation factor is the ratio of actual heat conduction to the heat conduction where the regenerator material is assumed to be a solid rod of the same cross sectional area as the metal fraction of the screen. This factor was about 0.1 for the stainless steel and 0.022 for the phosphor bronze, and almost constant for the temperature range of 40 to 80 K at the cold end.

  20. Stacked Deck: An Effective, School-Based Program for the Prevention of Problem Gambling

    ERIC Educational Resources Information Center

    Williams, Robert J.; Wood, Robert T.; Currie, Shawn R.

    2010-01-01

    School-based prevention programs are an important component of problem gambling prevention, but empirically effective programs are lacking. Stacked Deck is a set of 5-6 interactive lessons that teach about the history of gambling; the true odds and "house edge"; gambling fallacies; signs, risk factors, and causes of problem gambling; and skills…

  1. Stacked Deck: An Effective, School-Based Program for the Prevention of Problem Gambling

    ERIC Educational Resources Information Center

    Williams, Robert J.; Wood, Robert T.; Currie, Shawn R.

    2010-01-01

    School-based prevention programs are an important component of problem gambling prevention, but empirically effective programs are lacking. Stacked Deck is a set of 5-6 interactive lessons that teach about the history of gambling; the true odds and "house edge"; gambling fallacies; signs, risk factors, and causes of problem gambling; and skills…

  2. Antiproton stacking and un-stacking in the Fermilab Recycler Ring

    SciTech Connect

    Chandra Bhat

    2003-06-12

    The Fermilab Recycler Ring (RR) is intended to be used as a future antiproton storage ring for the Run II proton-antiproton collider operation. It is proposed that about 40mA of antiproton beam from the Accumulator Ring will be transferred to the Recycler once for every two to three hours, stacked and cooled. This operation continues for about 10 to 20 hours depending on the collider needs for antiprotons. Eventually, the cooled antiproton beam will be un-stacked from the Recycler and transferred to the Tevatron via the Main Injector. They have simulated stacking and un-stacking of antiprotons in the Recycler using multi-particle beam dynamics simulation code ESME. In this paper they present results of these simulations.

  3. A feature-based approach to modeling protein-protein interaction hot spots.

    PubMed

    Cho, Kyu-il; Kim, Dongsup; Lee, Doheon

    2009-05-01

    Identifying features that effectively represent the energetic contribution of an individual interface residue to the interactions between proteins remains problematic. Here, we present several new features and show that they are more effective than conventional features. By combining the proposed features with conventional features, we develop a predictive model for interaction hot spots. Initially, 54 multifaceted features, composed of different levels of information including structure, sequence and molecular interaction information, are quantified. Then, to identify the best subset of features for predicting hot spots, feature selection is performed using a decision tree. Based on the selected features, a predictive model for hot spots is created using support vector machine (SVM) and tested on an independent test set. Our model shows better overall predictive accuracy than previous methods such as the alanine scanning methods Robetta and FOLDEF, and the knowledge-based method KFC. Subsequent analysis yields several findings about hot spots. As expected, hot spots have a larger relative surface area burial and are more hydrophobic than other residues. Unexpectedly, however, residue conservation displays a rather complicated tendency depending on the types of protein complexes, indicating that this feature is not good for identifying hot spots. Of the selected features, the weighted atomic packing density, relative surface area burial and weighted hydrophobicity are the top 3, with the weighted atomic packing density proving to be the most effective feature for predicting hot spots. Notably, we find that hot spots are closely related to pi-related interactions, especially pi . . . pi interactions. PMID:19273533

  4. Project W-420 Stack Monitoring system upgrades conceptual design report

    SciTech Connect

    TUCK, J.A.

    1998-11-06

    This document describes the scope, justification, conceptual design, and performance of Project W-420 stack monitoring system upgrades on six NESHAP-designated, Hanford Tank Farms ventilation exhaust stacks.

  5. VIEW OF STACK WITH AUTOMOBILE AND TRACTOR REPAIR SHOP TO ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    VIEW OF STACK WITH AUTOMOBILE AND TRACTOR REPAIR SHOP TO THE FAR RIGHT. WAREHOUSE WITH ITS RIDGELINE ROTARY VENTS TO RIGHT OF STACK. VIEW FROM THE WEST - Kekaha Sugar Company, Sugar Mill Building, 8315 Kekaha Road, Kekaha, Kauai County, HI

  6. 40 CFR 52.1388 - Stack height regulations.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... (CONTINUED) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS (CONTINUED) Montana § 52.1388 Stack height regulations. The State of Montana has committed to revise its stack height regulations should EPA complete... of Montana agrees to make the appropriate changes....

  7. 40 CFR 52.1388 - Stack height regulations.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... (CONTINUED) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS (CONTINUED) Montana § 52.1388 Stack height regulations. The State of Montana has committed to revise its stack height regulations should EPA complete... of Montana agrees to make the appropriate changes....

  8. 40 CFR 52.1388 - Stack height regulations.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... (CONTINUED) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS (CONTINUED) Montana § 52.1388 Stack height regulations. The State of Montana has committed to revise its stack height regulations should EPA complete... of Montana agrees to make the appropriate changes....

  9. 40 CFR 52.1388 - Stack height regulations.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... (CONTINUED) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS (CONTINUED) Montana § 52.1388 Stack height regulations. The State of Montana has committed to revise its stack height regulations should EPA complete... of Montana agrees to make the appropriate changes....

  10. 40 CFR 52.1388 - Stack height regulations.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... (CONTINUED) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS (CONTINUED) Montana § 52.1388 Stack height regulations. The State of Montana has committed to revise its stack height regulations should EPA complete... of Montana agrees to make the appropriate changes....

  11. IET. Exhaust stack foundation under construction. Reinforced concrete footings for ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    IET. Exhaust stack foundation under construction. Reinforced concrete footings for duct at right of stack. Foundation is in octagonal shape. Date: October 29, 1954. INEEL negative no. 12711 - Idaho National Engineering Laboratory, Test Area North, Scoville, Butte County, ID

  12. Promoting RNA helical stacking via A-minor junctions

    PubMed Central

    Geary, Cody; Chworos, Arkadiusz; Jaeger, Luc

    2011-01-01

    RNA molecules take advantage of prevalent structural motifs to fold and assemble into well-defined 3D architectures. The A-minor junction is a class of RNA motifs that specifically controls coaxial stacking of helices in natural RNAs. A sensitive self-assembling supra-molecular system was used as an assay to compare several natural and previously unidentified A-minor junctions by native polyacrylamide gel electrophoresis and atomic force microscopy. This class of modular motifs follows a topological rule that can accommodate a variety of interchangeable A-minor interactions with distinct local structural motifs. Overall, two different types of A-minor junctions can be distinguished based on their functional self-assembling behavior: one group makes use of triloops or GNRA and GNRA-like loops assembling with helices, while the other takes advantage of more complex tertiary receptors specific for the loop to gain higher stability. This study demonstrates how different structural motifs of RNA can contribute to the formation of topologically equivalent helical stacks. It also exemplifies the need of classifying RNA motifs based on their tertiary structural features rather than secondary structural features. The A-minor junction rule can be used to facilitate tertiary structure prediction of RNAs and rational design of RNA parts for nanobiotechnology and synthetic biology. PMID:20876687

  13. Multi-energy, single-isotope imaging using stacked detectors.

    PubMed

    McDonald, B S; Shokouhi, S; Barrett, H H; Peterson, T E

    2007-08-21

    We investigated a scheme for concurrently detecting low- and high-energy emissions from (123)I with a stacked silicon double-sided strip detector (DSSD) and modular scintillation camera (Modcam) from the FastSPECT II design. We sequentially acquired both low- and high-energy emission images of an (123)I object with a prototype DSSD and a Modcam. A sandwich aperture increases spatial resolution in the low-magnification DSSD image via a smaller pinhole diameter and allows a higher magnification image on the Modcam. Molybdenum, the insert material, efficiently stops 20-30 keV photons due to its ?20 keV K-edge. Theoretically, less than 10% of 159 keV photons interact in 0.035 cm thick sheet of molybdenum, while this thickness stops virtually all ?30 keV photons. Thus, photons from both energy regions will be incident upon their respective detectors with little cross talk. With a multi-pinhole collimator, we can decode multiplexed images on the Modcam by making use of the lower-magnification DSSD image. This approach can provide an increase in system sensitivity compared to single-detector configurations. Using MCNP5 we examined the potential benefits and drawbacks of stacked detectors and the sandwich aperture for small-animal pinhole SPECT via the synthetic-collimator method. Simulation results encourage us to construct the novel aperture and use it with our new DSSDs designed for mounting in a transmission configuration. PMID:19081759

  14. Evaluation of a stack: A concrete chimney with brick liner

    SciTech Connect

    Joshi, J.R.; Amin, J.A.; Porthouse, R.A.

    1995-12-31

    A 200 ft. tall stack, consisting of a concrete chimney with an independent acid proof brick liner built in the 1950`s, serving the Separations facility at the Savannah River Site (SRS), was evaluated for the performance category 3 (PC3) level of Natural Phenomena Hazards (NPH) effects. The inelastic energy absorption capacity of the concrete chimney was considered in the evaluation of the earthquake resistance, in particular, to compute the F{sub {mu}} factor. The calculated value of F{sub {mu}} exceeded 3.0, while the seismic demand for the PC3 level, using an F{sub {mu}} value of 1.5, was found to be less than the capacity of the concrete chimney. The capacity formulation of ACI 307 was modified to incorporate the effect of an after design opening on the tension side. There are considerable uncertainties in determining the earthquake resistance of the independent brick liner. The critical liner section, located at the bottom of the breeching opening, does not meet the current recommendations. A discussion is provided for the possible acceptable values for the ``Moment Reduction Factor``, R{sub w} or F{sub {mu}} for the liner. Comments are provided on the comparison of stack demands using response spectra (RS) versus time history (TH) analysis, with and without soil structure interaction (SSI) effects.

  15. Characterization of stacked-crystal PET detector designs for measurement of both TOF and DOI.

    PubMed

    Schmall, Jeffrey P; Surti, Suleman; Karp, Joel S

    2015-05-01

    A PET detector with good timing resolution and two-level depth-of-interaction (DOI) discrimination can be constructed using a single-ended readout of scintillator stacks of Lanthanum Bromide (LaBr3), with various Cerium dopant concentrations, including pure Cerium Bromide (CeBr3). The stacked crystal geometry creates a unique signal shape for interactions occurring in each layer, which can be used to identify the DOI, while retaining the inherently good timing properties of LaBr3 and CeBr3. In this work, single pixel elements are used to optimize the choice of scintillator, coupling of layers, and type of photodetector, evaluating the performance using a fast, single-channel photomultiplier tube (PMT) and a single 4 × 4?mm(2) silicon photomultiplier (SiPM). We also introduce a method to quantify and evaluate the DOI discrimination accuracy. From signal shape measurements using fast waveform sampling, we found that in addition to differences in signal rise times, between crystal layers, there were also differences in the signal fall times. A DOI accuracy of 98% was achieved using our classification method for a stacked crystal pair, consisting of a 15?mm long LaBr3(Ce:20%) crystal on top of a 15?mm long CeBr3 crystal, readout using a PMT. A DOI accuracy of 95% was measured with a stack of two, identical, 12?mm long, CeBr3 crystals. The DOI accuracy of this crystal pair was reduced to 91% when using a SiPM for readout. For the stack of two, 12?mm long, CeBr3 crystals, a coincidence timing resolution (average of timing results from the top and bottom layer) of 199?ps was measured using a PMT, and this was improved to 153?ps when using a SiPM. These results show that with stacked LaBr3/CeBr3 scintillators and fast waveform sampling nearly perfect DOI accuracy can be achieved with excellent timing resolution-timing resolution that is only minimally degraded compared to results from a single CeBr3 crystal of comparable length to the stacked crystals. The interface in the stacked crystal geometry itself plays a major role in creating the differences in signal shape and this can be used to construct stacked DOI detectors using the same scintillator type, thereby simplifying and broadening the application of this technique. PMID:25860172

  16. Characterization of stacked-crystal PET detector designs for measurement of both TOF and DOI

    NASA Astrophysics Data System (ADS)

    Schmall, Jeffrey P.; Surti, Suleman; Karp, Joel S.

    2015-05-01

    A PET detector with good timing resolution and two-level depth-of-interaction (DOI) discrimination can be constructed using a single-ended readout of scintillator stacks of Lanthanum Bromide (LaBr3), with various Cerium dopant concentrations, including pure Cerium Bromide (CeBr3). The stacked crystal geometry creates a unique signal shape for interactions occurring in each layer, which can be used to identify the DOI, while retaining the inherently good timing properties of LaBr3 and CeBr3. In this work, single pixel elements are used to optimize the choice of scintillator, coupling of layers, and type of photodetector, evaluating the performance using a fast, single-channel photomultiplier tube (PMT) and a single 4 × 4?mm2 silicon photomultiplier (SiPM). We also introduce a method to quantify and evaluate the DOI discrimination accuracy. From signal shape measurements using fast waveform sampling, we found that in addition to differences in signal rise times, between crystal layers, there were also differences in the signal fall times. A DOI accuracy of 98% was achieved using our classification method for a stacked crystal pair, consisting of a 15?mm long LaBr3(Ce:20%) crystal on top of a 15?mm long CeBr3 crystal, readout using a PMT. A DOI accuracy of 95% was measured with a stack of two, identical, 12?mm long, CeBr3 crystals. The DOI accuracy of this crystal pair was reduced to 91% when using a SiPM for readout. For the stack of two, 12?mm long, CeBr3 crystals, a coincidence timing resolution (average of timing results from the top and bottom layer) of 199?ps was measured using a PMT, and this was improved to 153?ps when using a SiPM. These results show that with stacked LaBr3/CeBr3 scintillators and fast waveform sampling nearly perfect DOI accuracy can be achieved with excellent timing resolution—timing resolution that is only minimally degraded compared to results from a single CeBr3 crystal of comparable length to the stacked crystals. The interface in the stacked crystal geometry itself plays a major role in creating the differences in signal shape and this can be used to construct stacked DOI detectors using the same scintillator type, thereby simplifying and broadening the application of this technique.

  17. SOFC cells and stacks for complex fuels

    SciTech Connect

    Edward M. Sabolsky; Matthew Seabaugh; Katarzyna Sabolsky; Sergio A. Ibanez; Zhimin Zhong

    2007-07-01

    Reformed hydrocarbon and coal (syngas) fuels present an opportunity to integrate solid oxide fuel cells into the existing fuel infrastructure. However, these fuels often contain impurities or additives that may lead to cell degradation through sulfur poisoning or coking. Achieving high performance and sulfur tolerance in SOFCs operating on these fuels would simplify system balance of plant and sequestration of anode tail gas. NexTech Materials, Ltd., has developed a suite of materials and components (cells, seals, interconnects) designed for operation in sulfur-containing syngas fuels. These materials and component technologies have been integrated into an SOFC stack for testing on simulated propane, logistic fuel reformates and coal syngas. Details of the technical approach, cell and stack performance is reported.

  18. Graphanes: Sheets and stacking under pressure

    SciTech Connect

    Wen, Xiao-Dong; Hand, Louis; Labet, Vanessa; Yang, Tao; Hoffmann, Roald; Ashcroft, N. W.; Oganov, Artem R.; Lyakhov, Andriy O.

    2011-04-26

    Eight isomeric two-dimensional graphane sheets are found in a theoretical study. Four of these nets—two built on chair cyclohexanes, two on boat—are more stable thermodynamically than the isomeric benzene, or polyacetylene. Three-dimensional crystals are built up from the two-dimensional sheets, and their hypothetical behavior under pressure (up to 300 GPa) is explored. While the three-dimensional graphanes remain, as expected, insulating or semiconducting in this pressure range, there is a remarkable inversion in stability of the five crystals studied. Two stacking polytypes that are not the most stable at ambient pressure (one based on an unusual chair cyclohexane net, the other on a boat) are significantly stabilized with increasing pressure relative to stackings of simple chair sheets. The explanation may lie in the balance on intra and intersheet contacts in the extended arrays.

  19. Annular feed air breathing fuel cell stack

    DOEpatents

    Wilson, Mahlon S.

    1996-01-01

    A stack of polymer electrolyte fuel cells is formed from a plurality of unit cells where each unit cell includes fuel cell components defining a periphery and distributed along a common axis, where the fuel cell components include a polymer electrolyte membrane, an anode and a cathode contacting opposite sides of the membrane, and fuel and oxygen flow fields contacting the anode and the cathode, respectively, wherein the components define an annular region therethrough along the axis. A fuel distribution manifold within the annular region is connected to deliver fuel to the fuel flow field in each of the unit cells. In a particular embodiment, a single bolt through the annular region clamps the unit cells together. In another embodiment, separator plates between individual unit cells have an extended radial dimension to function as cooling fins for maintaining the operating temperature of the fuel cell stack.

  20. Development of on-site PAFC stacks

    SciTech Connect

    Hotta, K.; Matsumoto, Y.; Horiuchi, H.; Ohtani, T.

    1996-12-31

    PAFC (Phosphoric Acid Fuel Cell) has been researched for commercial use and demonstration plants have been installed in various sites. However, PAFC don`t have a enough stability yet, so more research and development must be required in the future. Especially, cell stack needs a proper state of three phases (liquid, gas and solid) interface. It is very difficult technology to keep this condition for a long time. In the small size cell with the electrode area of 100 cm{sup 2}, gas flow and temperature distributions show uniformity. But in the large size cell with the electrode area of 4000 cm{sup 2}, the temperature distributions show non-uniformity. These distributions would cause to be shorten the cell life. Because these distributions make hot-spot and gas poverty in limited parts. So we inserted thermocouples in short-stack for measuring three-dimensional temperature distributions and observed effects of current density and gas utilization on temperature.

  1. Multistage Force Amplification of Piezoelectric Stacks

    NASA Technical Reports Server (NTRS)

    Xu, Tian-Bing (Inventor); Siochi, Emilie J. (Inventor); Zuo, Lei (Inventor); Jiang, Xiaoning (Inventor); Kang, Jin Ho (Inventor)

    2015-01-01

    Embodiments of the disclosure include an apparatus and methods for using a piezoelectric device, that includes an outer flextensional casing, a first cell and a last cell serially coupled to each other and coupled to the outer flextensional casing such that each cell having a flextensional cell structure and each cell receives an input force and provides an output force that is amplified based on the input force. The apparatus further includes a piezoelectric stack coupled to each cell such that the piezoelectric stack of each cell provides piezoelectric energy based on the output force for each cell. Further, the last cell receives an input force that is the output force from the first cell and the last cell provides an output apparatus force In addition, the piezoelectric energy harvested is based on the output apparatus force. Moreover, the apparatus provides displacement based on the output apparatus force.

  2. Biofilters remove VOCs from stack gases

    SciTech Connect

    Not Available

    1993-10-01

    Weyerhaeuser's strandboard plant in Grayling, Mich., is using biofiltration to remove volatile organic compounds (VOCs) at the site. Primary constituents in the Weyerhaeuser stack gases are alcohols, aldehydes, organic acids, benzene and toluene. The alternative to biofiltration is incineration, but because the concentration of VOCs in the stack gases is so dilute, natural gas would be required. Incineration would be costly, and could introduce pollution problems by generating excess carbon dioxide (CO[sub 2]) and possibly nitrogen oxides. Two pilot biofilters, each about 20ft by 100ft in area, with 4-ft thick media of bark and ground trim ends, are using naturally occurring bacteria to destroy VOCs emanating from a wood panel press and a wood flake dryer. The press offgas biofilter, activated February 1993, had risen to 93% efficiency in removing VOCs by mid-May. The flake dryer exhaust biofilter, placed in service in April, already was more than 80% efficient.

  3. System for inspection of stacked cargo containers

    DOEpatents

    Derenzo, Stephen (Pinole, CA)

    2011-08-16

    The present invention relates to a system for inspection of stacked cargo containers. One embodiment of the invention generally comprises a plurality of stacked cargo containers arranged in rows or tiers, each container having a top, a bottom a first side, a second side, a front end, and a back end; a plurality of spacers arranged in rows or tiers; one or more mobile inspection devices for inspecting the cargo containers, wherein the one or more inspection devices are removeably disposed within the spacers, the inspection means configured to move through the spacers to detect radiation within the containers. The invented system can also be configured to inspect the cargo containers for a variety of other potentially hazardous materials including but not limited to explosive and chemical threats.

  4. Radiation-Tolerant Intelligent Memory Stack - RTIMS

    NASA Technical Reports Server (NTRS)

    Ng, Tak-kwong; Herath, Jeffrey A.

    2011-01-01

    This innovation provides reconfigurable circuitry and 2-Gb of error-corrected or 1-Gb of triple-redundant digital memory in a small package. RTIMS uses circuit stacking of heterogeneous components and radiation shielding technologies. A reprogrammable field-programmable gate array (FPGA), six synchronous dynamic random access memories, linear regulator, and the radiation mitigation circuits are stacked into a module of 42.7 42.7 13 mm. Triple module redundancy, current limiting, configuration scrubbing, and single- event function interrupt detection are employed to mitigate radiation effects. The novel self-scrubbing and single event functional interrupt (SEFI) detection allows a relatively soft FPGA to become radiation tolerant without external scrubbing and monitoring hardware

  5. Learning algorithms for stack filter classifiers

    SciTech Connect

    Porter, Reid B; Hush, Don; Zimmer, Beate G

    2009-01-01

    Stack Filters define a large class of increasing filter that is used widely in image and signal processing. The motivations for using an increasing filter instead of an unconstrained filter have been described as: (1) fast and efficient implementation, (2) the relationship to mathematical morphology and (3) more precise estimation with finite sample data. This last motivation is related to methods developed in machine learning and the relationship was explored in an earlier paper. In this paper we investigate this relationship by applying Stack Filters directly to classification problems. This provides a new perspective on how monotonicity constraints can help control estimation and approximation errors, and also suggests several new learning algorithms for Boolean function classifiers when they are applied to real-valued inputs.

  6. Process for 3D chip stacking

    DOEpatents

    Malba, V.

    1998-11-10

    A manufacturable process for fabricating electrical interconnects which extend from a top surface of an integrated circuit chip to a sidewall of the chip using laser pantography to pattern three dimensional interconnects. The electrical interconnects may be of an L-connect or L-shaped type. The process implements three dimensional (3D) stacking by moving the conventional bond or interface pads on a chip to the sidewall of the chip. Implementation of the process includes: (1) holding individual chips for batch processing, (2) depositing a dielectric passivation layer on the top and sidewalls of the chips, (3) opening vias in the dielectric, (4) forming the interconnects by laser pantography, and (5) removing the chips from the holding means. The process enables low cost manufacturing of chips with bond pads on the sidewalls, which enables stacking for increased performance, reduced space, and higher functional per unit volume. 3 figs.

  7. Process for 3D chip stacking

    DOEpatents

    Malba, Vincent

    1998-01-01

    A manufacturable process for fabricating electrical interconnects which extend from a top surface of an integrated circuit chip to a sidewall of the chip using laser pantography to pattern three dimensional interconnects. The electrical interconnects may be of an L-connect or L-shaped type. The process implements three dimensional (3D) stacking by moving the conventional bond or interface pads on a chip to the sidewall of the chip. Implementation of the process includes: 1) holding individual chips for batch processing, 2) depositing a dielectric passivation layer on the top and sidewalls of the chips, 3) opening vias in the dielectric, 4) forming the interconnects by laser pantography, and 5) removing the chips from the holding means. The process enables low cost manufacturing of chips with bond pads on the sidewalls, which enables stacking for increased performance, reduced space, and higher functional per unit volume.

  8. The essential role of stacking adenines in a two-base-pair RNA kissing complex.

    PubMed

    Stephenson, William; Asare-Okai, Papa Nii; Chen, Alan A; Keller, Sean; Santiago, Rachel; Tenenbaum, Scott A; Garcia, Angel E; Fabris, Daniele; Li, Pan T X

    2013-04-17

    In minimal RNA kissing complexes formed between hairpins with cognate GACG tetraloops, the two tertiary GC pairs are likely stabilized by the stacking of 5'-unpaired adenines at each end of the short helix. To test this hypothesis, we mutated the flanking adenines to various nucleosides and examined their effects on the kissing interaction. Electrospray ionization mass spectrometry was used to detect kissing dimers in a multiequilibria mixture, whereas optical tweezers were applied to monitor the (un)folding trajectories of single RNA molecules. The experimental findings were rationalized by molecular dynamics simulations. Together, the results showed that the stacked adenines are indispensable for the tertiary interaction. By shielding the tertiary base pairs from solvent and reducing their fraying, the stacked adenines made terminal pairs act more like interior base pairs. The purine double-ring of adenine was essential for effective stacking, whereas additional functional groups modulated the stabilizing effects through varying hydrophobic and electrostatic forces. Furthermore, formation of the kissing complex was dominated by base pairing, whereas its dissociation was significantly influenced by the flanking bases. Together, these findings indicate that unpaired flanking nucleotides play essential roles in the formation of otherwise unstable two-base-pair RNA tertiary interactions. PMID:23517345

  9. The Essential Role of stacking adenines in a Two-Base-Pair RNA Kissing Complex

    PubMed Central

    Stephenson, William; Asare-Okai, Papa Nii; Chen, Alan A.; Keller, Sean; Santiago, Rachel; Tenenbaum, Scott; Garcia, Angel E.; Fabris, Daniele; Li, Pan T.X.

    2013-01-01

    In minimal RNA kissing complexes formed between hairpins with cognate GACG tetraloops, the two tertiary GC pairs are likely stabilized by the stacking of 5’-unpaired adenines at each end of the short helix. To test this hypothesis, we mutated the flanking adenines to various nucleosides and examined their effects on the kissing interaction. Electrospray ionization mass spectrometry was used to detect kissing dimers in a multi-equilibria mixture, whereas optical tweezers were applied to monitor the (un)folding trajectories of single RNA molecules. The experimental findings were rationalized by molecular dynamics simulations. Together, the results showed that the stacked adenines are indispensable for the tertiary interaction. By shielding the tertiary base pairs from solvent and reducing their fraying, the stacked adenines made terminal pairs act more like interior base pairs. The purine double-ring of adenine was essential for effective stacking, whereas additional functional groups modulated the stabilizing effects through varying hydrophobic and electrostatic forces. Furthermore, formation of the kissing complex was dominated by base pairing, whereas its dissociation was significantly influenced by the flanking bases. Together, these findings indicate that unpaired flanking nucleotides play essential roles in the formation of otherwise unstable two-base-pair RNA tertiary interactions. PMID:23517345

  10. Entropy and biological systems: experimentally-investigated entropy-driven stacking of plant photosynthetic membranes.

    PubMed

    Jia, Husen; Liggins, John R; Chow, Wah Soon

    2014-01-01

    According to the Second Law of Thermodynamics, an overall increase of entropy contributes to the driving force for any physicochemical process, but entropy has seldom been investigated in biological systems. Here, for the first time, we apply Isothermal Titration Calorimetry (ITC) to investigate the Mg(2+)-induced spontaneous stacking of photosynthetic membranes isolated from spinach leaves. After subtracting a large endothermic interaction of MgCl? with membranes, unrelated to stacking, we demonstrate that the enthalpy change (heat change at constant pressure) is zero or marginally positive or negative. This first direct experimental evidence strongly suggests that an entropy increase significantly drives membrane stacking in this ordered biological structure. Possible mechanisms for the entropy increase include: (i) the attraction between discrete oppositely-charged areas, releasing counterions; (ii) the release of loosely-bound water molecules from the inter-membrane gap; (iii) the increased orientational freedom of previously-aligned water dipoles; and (iv) the lateral rearrangement of membrane components. PMID:24561561

  11. Wideband analytical equivalent circuit for one-dimensional periodic stacked arrays.

    PubMed

    Molero, Carlos; Rodríguez-Berral, Raúl; Mesa, Francisco; Medina, Francisco; Yakovlev, Alexander B

    2016-01-01

    A wideband equivalent circuit is proposed for the accurate analysis of scattering from a set of stacked slit gratings illuminated by a plane wave with transverse magnetic or electric polarization that impinges normally or obliquely along one of the principal planes of the structure. The slit gratings are printed on dielectric slabs of arbitrary thickness, including the case of closely spaced gratings that interact by higher-order modes. A ?-circuit topology is obtained for a pair of coupled arrays, with fully analytical expressions for all the circuit elements. This equivalent ? circuit is employed as the basis to derive the equivalent circuit of finite stacks with any given number of gratings. Analytical expressions for the Brillouin diagram and the Bloch impedance are also obtained for infinite periodic stacks. PMID:26871189

  12. Wideband analytical equivalent circuit for one-dimensional periodic stacked arrays

    NASA Astrophysics Data System (ADS)

    Molero, Carlos; Rodríguez-Berral, Raúl; Mesa, Francisco; Medina, Francisco; Yakovlev, Alexander B.

    2016-01-01

    A wideband equivalent circuit is proposed for the accurate analysis of scattering from a set of stacked slit gratings illuminated by a plane wave with transverse magnetic or electric polarization that impinges normally or obliquely along one of the principal planes of the structure. The slit gratings are printed on dielectric slabs of arbitrary thickness, including the case of closely spaced gratings that interact by higher-order modes. A Π -circuit topology is obtained for a pair of coupled arrays, with fully analytical expressions for all the circuit elements. This equivalent Π circuit is employed as the basis to derive the equivalent circuit of finite stacks with any given number of gratings. Analytical expressions for the Brillouin diagram and the Bloch impedance are also obtained for infinite periodic stacks.

  13. Entropy and biological systems: Experimentally-investigated entropy-driven stacking of plant photosynthetic membranes

    NASA Astrophysics Data System (ADS)

    Jia, Husen; Liggins, John R.; Chow, Wah Soon

    2014-02-01

    According to the Second Law of Thermodynamics, an overall increase of entropy contributes to the driving force for any physicochemical process, but entropy has seldom been investigated in biological systems. Here, for the first time, we apply Isothermal Titration Calorimetry (ITC) to investigate the Mg2+-induced spontaneous stacking of photosynthetic membranes isolated from spinach leaves. After subtracting a large endothermic interaction of MgCl2 with membranes, unrelated to stacking, we demonstrate that the enthalpy change (heat change at constant pressure) is zero or marginally positive or negative. This first direct experimental evidence strongly suggests that an entropy increase significantly drives membrane stacking in this ordered biological structure. Possible mechanisms for the entropy increase include: (i) the attraction between discrete oppositely-charged areas, releasing counterions; (ii) the release of loosely-bound water molecules from the inter-membrane gap; (iii) the increased orientational freedom of previously-aligned water dipoles; and (iv) the lateral rearrangement of membrane components.

  14. A reconsideration of the measurements with the O ring stack

    SciTech Connect

    Cleveland, B. T.; Rowley, J.K.

    1996-09-01

    The measurements made this year of Rn entry to the O ring stack were interpreted to be diffusion through the urethane O rings; however the alternative hypothesis is that Rn was mainly entering the stack by leakage through a small hole. This note presents a calculation of diffusion from first principles and rederives the diffusion constant for the O ring stack measurements.

  15. 40 CFR 52.2534 - Stack height review.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 4 2011-07-01 2011-07-01 false Stack height review. 52.2534 Section 52...) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS (CONTINUED) West Virginia § 52.2534 Stack height review... emission limits, other than those for the Kammer power plant, have been affected by stack height...

  16. 40 CFR 52.383 - Stack height review.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 3 2010-07-01 2010-07-01 false Stack height review. 52.383 Section 52...) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS Connecticut § 52.383 Stack height review. The State of... by stack height credits greater than good engineering practice or any other prohibited...

  17. 40 CFR 51.118 - Stack height provisions.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 2 2011-07-01 2011-07-01 false Stack height provisions. 51.118 Section... REQUIREMENTS FOR PREPARATION, ADOPTION, AND SUBMITTAL OF IMPLEMENTATION PLANS Control Strategy § 51.118 Stack... source for control of any air pollutant must not be affected by so much of any source's stack height...

  18. 40 CFR 52.383 - Stack height review.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 3 2011-07-01 2011-07-01 false Stack height review. 52.383 Section 52...) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS Connecticut § 52.383 Stack height review. The State of... by stack height credits greater than good engineering practice or any other prohibited...

  19. 40 CFR 52.2633 - Stack height regulations.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 4 2010-07-01 2010-07-01 false Stack height regulations. 52.2633... (CONTINUED) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS (CONTINUED) Wyoming § 52.2633 Stack height..., Administrator of The Air Quality Division, the State committed to conduct stack height evaluations in...

  20. 40 CFR 62.14412 - What stack opacity requirements apply?

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 8 2011-07-01 2011-07-01 false What stack opacity requirements apply... 20, 1996 Emission Limits § 62.14412 What stack opacity requirements apply? Your HMIWI (regardless of size category) must not discharge into the atmosphere from the stack any gases that exhibit...

  1. 40 CFR 52.2347 - Stack height regulations.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 4 2010-07-01 2010-07-01 false Stack height regulations. 52.2347... (CONTINUED) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS (CONTINUED) Utah § 52.2347 Stack height regulations. The State of Utah has committed to revise its stack height regulations should EPA...

  2. 40 CFR 51.164 - Stack height procedures.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 2 2011-07-01 2011-07-01 false Stack height procedures. 51.164 Section... Modifications § 51.164 Stack height procedures. Such procedures must provide that the degree of emission... source's stack height that exceeds good engineering practice or by any other dispersion technique,...

  3. 40 CFR 62.14412 - What stack opacity requirements apply?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 8 2010-07-01 2010-07-01 false What stack opacity requirements apply... 20, 1996 Emission Limits § 62.14412 What stack opacity requirements apply? Your HMIWI (regardless of size category) must not discharge into the atmosphere from the stack any gases that exhibit...

  4. 40 CFR 52.990 - Stack height regulations.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 3 2011-07-01 2011-07-01 false Stack height regulations. 52.990... (CONTINUED) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS Louisiana § 52.990 Stack height regulations... Practice (GEP) Stack Height 1 or 2” of the State regulations. A letter from the Secretary of...

  5. 40 CFR 51.118 - Stack height provisions.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 2 2010-07-01 2010-07-01 false Stack height provisions. 51.118 Section... REQUIREMENTS FOR PREPARATION, ADOPTION, AND SUBMITTAL OF IMPLEMENTATION PLANS Control Strategy § 51.118 Stack... source for control of any air pollutant must not be affected by so much of any source's stack height...

  6. 40 CFR 52.1034 - Stack height review.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 4 2011-07-01 2011-07-01 false Stack height review. 52.1034 Section 52...) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS (CONTINUED) Maine § 52.1034 Stack height review. The... affected by stack height credits greater than good engineering practice or any other prohibited...

  7. 40 CFR 51.164 - Stack height procedures.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 2 2010-07-01 2010-07-01 false Stack height procedures. 51.164 Section... Modifications § 51.164 Stack height procedures. Such procedures must provide that the degree of emission... source's stack height that exceeds good engineering practice or by any other dispersion technique,...

  8. 40 CFR 52.2534 - Stack height review.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 4 2010-07-01 2010-07-01 false Stack height review. 52.2534 Section 52...) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS (CONTINUED) West Virginia § 52.2534 Stack height review... emission limits, other than those for the Kammer power plant, have been affected by stack height...

  9. 40 CFR 52.2633 - Stack height regulations.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 4 2011-07-01 2011-07-01 false Stack height regulations. 52.2633... (CONTINUED) APPROVAL AND PROMULGATION OF IMPLEMENTATION PLANS (CONTINUED) Wyoming § 52.2633 Stack height..., Administrator of The Air Quality Division, the State committed to conduct stack height evaluations in...

  10. Stacked Switchable Element and Diode Combination

    DOEpatents

    Branz, H. M.; Wang, Q.

    2006-06-27

    A device (10) comprises a semiconductor diode (12) and a switchable element (14) positioned in stacked adjacent relationship so that the semiconductor diode (12) and the switchable element (14) are electrically connected in series with one another. The switchable element (14) is switchable from a low-conductance state to a high-conductance state in response to the application of a forming voltage to the switchable element (14).

  11. CAM and stack air sampler design guide

    SciTech Connect

    Phillips, T.D.

    1994-05-13

    About 128 air samplers and CAMs presently in service to detect and document potential radioactive release from `H` and `F` area tank farm ventilation stacks are scheduled for replacement and/or upgrade by Projects S-5764, S-2081, S-3603, and S-4516. The seven CAMs scheduled to be upgraded by Project S-4516 during 1995 are expected to provide valuable experience for the three remaining projects. The attached document provides design guidance for the standardized High Level Waste air sampling system.

  12. Stacked switchable element and diode combination

    SciTech Connect

    Branz, Howard M.; Wang, Qi

    2006-06-27

    A device (10) comprises a semiconductor diode (12) and a switchable element (14) positioned in stacked adjacent relationship so that the semiconductor diode (12) and the switchable element (14) are electrically connected in series with one another. The switchable element (14) is switchable from a low-conductance state to a high-conductance state in response to the application of a forming voltage to the switchable element (14).

  13. Satellite power using magnetically suspended flywheel stack

    NASA Technical Reports Server (NTRS)

    Kirk, James A.; Anand, Davinder K.

    1987-01-01

    Research activities with magnetically suspended flywheels are reported. The purpose of the effort is to critically examine and further the development of all the key technologies which impact the inertial energy storage system. The results presented discuss the concept of a magnetically suspended flywheel as it applies to a 500 Watt-hour energy storage system. The proposed system is currently under hardware development and is based upon two pancake magnetic bearings arranged in a vertical stack.

  14. Extended Life PZT Stack Test Fixture

    NASA Technical Reports Server (NTRS)

    Badescu, Mircea; Sherrit, S.; Bao, X.; Aldrich, J.; Bar-Cohen, Y.; Jones, C.

    2009-01-01

    Piezoelectric stacks are being sought to be used as actuators for precision positioning and deployment of mechanisms in future planetary missions. Beside the requirement for very high operation reliability, these actuators are required for operation at space environments that are considered harsh compared to normal terrestrial conditions.These environmental conditions include low and high temperatures and vacuum or high pressure. Additionally, the stacks are subjected to high stress and in some applications need to operate with a very long lifetime durability.Many of these requirements are beyond the current industry design margins for nominal terrestrial applications. In order to investigate some of the properties that will indicate the durability of such actuators and their limitations we have developed a new type of test fixture that can be easily integrated in various test chambers for simulating environmental conditions, can provide access for multiple measurements while being exposed to adjustable stress levels. We designed and built two test fixtures and these fixtures were made to be adjustable for testing stacks with different dimensions and can be easily used in small or large numbers. The properties that were measured using these fixtures include impedance, capacitance, dielectric loss factor, leakage current, displacement, breakdown voltage, and lifetime performance. The fixtures characteristics and the test capabilities are presented in this paper.

  15. Electromechanical characterization of piezoelectric stack actuators

    NASA Astrophysics Data System (ADS)

    Mitrovic, Milan; Carman, Gregory P.; Straub, Friedrich K.

    1999-06-01

    The response of five commercial piezoelectric stack actuators under electrical, mechanical, and combined electro-mechanical loading was investigated in this study. The focus was to understand the behavior of piezoelectric materials under the combined electro-mechanical loading scenario, and to determine fundamental properties important for design of actuator systems that incorporate these materials. Parameters that were evaluated include strain output, permittivity, mechanical stiffness, energy density, and coupling coefficients as a function of mechanical preload and electric field values representative of in- service conditions. Stiffness measurements indicate strong dependence on applied electric field and mechanical preload, as well as the number of mechanical cycles. For certain actuators, stiffness values change by as much as 100% depending on the operating conditions. The voltage induced strain output of some of these samples which include both PZT and PLZT compositions exceeds 2,000 microstrain for certain operating conditions (under the constant preload). Initially, the strain output is enhanced with an increase in mechanical preload and the maximum strain values are obtained when the stacks are preloaded between 4 - 6 ksi. High values of output energy density can be achieved for this operating region. Applying a higher preload has the advance effect on the stacks response since mechanical loading impedes domain wall motion reducing the overall strain output. A similar effect is observed under the combined out-of-phase electro-mechanical loading, and we have found that the highest energy density is obtained if the mechanical loading amplitude does not exceed +/- 2.5 ksi.

  16. Tunable thermal property in edge hydrogenated AA-stacked bilayer graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Tang, Yunqing; Li, Junchao; Wu, Xiaoju; Liu, Qiaoya; Liu, Yu; Yang, Ping

    2016-01-01

    The effect of edge hydrogenation on the thermal conductivity of AA-stacked bilayer graphene nanoribbons (BGNs) is explored by using the reverse non-equilibrium molecular dynamics method (RNEMD). We study the thermal transport properties of AA-stacked zigzag BGNs (ZBGNs) with different edge hydrogenation degrees in the range of 200-600 K. The calculated results show that the interlayer van der Waals interaction has a big significant influence on the thermal conductivity of AA-stacked BGNs compared with monolayer graphene nanoribbons (GNRs) in the same simulation conditions. For AA-stacked ZBGNs with different edge hydrogenation degrees, thermal conductivities firstly increase with the temperature increasing, and then start to decrease when reaching certain maximum always reach maximum values at the temperature of 300 K. Furthermore, the thermal conductivities of the simulation models have certain variation when the heat flow direction changes. In the meantime, the thermal rectification phenomenon is most obvious when the length ratio of the edge hydrogenated GNRs versus pristine one is 1. It is interesting that the thermal rectification effect is apparently weaken at high temperatures owing to obvious reduction of phonon power spectrum overlap, which implies that edge hydrogenated AA-stacked BGNs have the potential in future BGNs-based thermal rectification device applications.

  17. When is stacking confusing? The impact of confusion on stacking in deep H I galaxy surveys

    NASA Astrophysics Data System (ADS)

    Jones, Michael G.; Haynes, Martha P.; Giovanelli, Riccardo; Papastergis, Emmanouil

    2016-01-01

    We present an analytic model to predict the H I mass contributed by confused sources to a stacked spectrum in a generic H I survey. Based on the ALFALFA (Arecibo Legacy Fast ALFA) correlation function, this model is in agreement with the estimates of confusion present in stacked Parkes telescope data, and was used to predict how confusion will limit stacking in the deepest Square Kilometre Array precursor H I surveys. Stacking with LADUMA (Looking At the Distant Universe with MeerKAT) and DINGO UDEEP (Deep Investigation of Neutral Gas Origins - Ultra Deep) data will only be mildly impacted by confusion if their target synthesized beam size of 10 arcsec can be achieved. Any beam size significantly above this will result in stacks that contain a mass in confused sources that is comparable to (or greater than) that which is detectable via stacking, at all redshifts. CHILES (COSMOS H I Large Extragalactic Survey) 5 arcsec resolution is more than adequate to prevent confusion influencing stacking of its data, throughout its bandpass range. FAST (Five hundred metre Aperture Spherical Telescope) will be the most impeded by confusion, with H I surveys likely becoming heavily confused much beyond z = 0.1. The largest uncertainties in our model are the redshift evolution of the H I density of the Universe and the H I correlation function. However, we argue that the two idealized cases we adopt should bracket the true evolution, and the qualitative conclusions are unchanged regardless of the model choice. The profile shape of the signal due to confusion (in the absence of any detection) was also modelled, revealing that it can take the form of a double Gaussian with a narrow and wide component.

  18. Application of current steps and design of experiments methodology to the detection of water management faults in a proton exchange membrane fuel cell stack

    NASA Astrophysics Data System (ADS)

    Moçotéguy, Philippe; Ludwig, Bastian; Yousfi Steiner, Nadia

    2016-01-01

    We apply a 25-1 fractional factorial Design of Experiments (DoE) test plan in order to discriminate the direct effects and interactions of five factors on the water management of a 500 We PEMFC stack. The stack is submitted to current steps between different operating levels and several responses are extracted for the DoE analysis. A strong ageing effect on stack and cell performances is observed. Therefore, in order to perform the DoE analysis, responses which values are too strongly affected by ageing are "corrected" prior to the analysis. A "virtual" stack, considered as "healthy", is also "reconstructed" by "putting in series" the cells exhibiting very low performance drop. The results show that stacks and cells' resistivities are mostly impacted by direct effects of both temperature and cathodic inlet relative humidity and by compensating interaction between temperature and anodic overstoichiometric ratio. It also appears that two responses are able to distinguish a "healthy" stack from a degraded stack: heterogeneities in cell voltages and cell resistivities distributions. They are differently impacted by considered effects and interactions. Thus, a customised water management strategy could be developed, depending on the stack's state of health to maintain it in the best possible operating conditions.

  19. Modulation of kinase-inhibitor interactions by auxiliary protein binding: Crystallography studies on Aurora A interactions with VX-680 and with TPX2

    SciTech Connect

    Zhao, Baoguang; Smallwood, Angela; Yang, Jingsong; Koretke, Kristin; Nurse, Kelvin; Calamari, Amy; Kirkpatrick, Robert B.; Lai, Zhihong

    2008-10-24

    VX-680, also known as MK-0457, is an ATP-competitive small molecule inhibitor of the Aurora kinases that has entered phase II clinical trials for the treatment of cancer. We have solved the cocrystal structure of AurA/TPX2/VX-680 at 2.3 {angstrom} resolution. In the crystal structure, VX-680 binds to the active conformation of AurA. The glycine-rich loop in AurA adopts a unique bent conformation, forming a {pi}-{pi} interaction with the phenyl group of VX-680. In contrast, in the published AurA/VX-680 structure, VX-680 binds to AurA in the inactive conformation, interacting with a hydrophobic pocket only present in the inactive conformation. These data suggest that TPX2, a protein cofactor, can alter the binding mode of VX-680 with AurA. More generally, the presence of physiologically relevant cofactor proteins can alter the kinetics, binding interactions, and inhibition of enzymes, and studies with these multiprotein complexes may be beneficial to the discovery and optimization of enzyme inhibitors as therapeutic agents.

  20. SAR image speckle suppression based on stack filters

    NASA Astrophysics Data System (ADS)

    Bai, Zhengyao; He, Peikun

    2003-09-01

    Speckle suppression is an important step in syntetic aperture radar (SAR) image processing. This paper addresses the problem of reducing speckle in SAR images by employing stack filters. Median filters have been used to successfully reduce non-Gaussian noises and impulse noises. Stack filters are a very large class of nonlinear filters that possess the threshold decomposition and the stack property. In this paper, stacking median filters are introduced. An algorithm for SAR speckle suppression based on stacking median filters is proposed. Threshold selection is also discussed. Experiments are performed using SAR images at different threshold differences to show the proposed algorithm's effectiveness.