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Sample records for active lone pair

  1. Lone pairs: an electrostatic viewpoint.

    PubMed

    Kumar, Anmol; Gadre, Shridhar R; Mohan, Neetha; Suresh, Cherumuttathu H

    2014-01-16

    A clear-cut definition of lone pairs has been offered in terms of characteristics of minima in molecular electrostatic potential (MESP). The largest eigenvalue and corresponding eigenvector of the Hessian at the minima are shown to distinguish lone pair regions from the other types of electron localization (such as π bonds). A comparative study of lone pairs as depicted by various other scalar fields such as the Laplacian of electron density and electron localization function is made. Further, an attempt has been made to generalize the definition of lone pairs to the case of cations. PMID:24372481

  2. Dynamic Stereochemical Activity of the Sn(2+) Lone Pair in Perovskite CsSnBr3.

    PubMed

    Fabini, Douglas H; Laurita, Geneva; Bechtel, Jonathon S; Stoumpos, Constantinos C; Evans, Hayden A; Kontos, Athanassios G; Raptis, Yannis S; Falaras, Polycarpos; Van der Ven, Anton; Kanatzidis, Mercouri G; Seshadri, Ram

    2016-09-14

    Stable s(2) lone pair electrons on heavy main-group elements in their lower oxidation states drive a range of important phenomena, such as the emergence of polar ground states in some ferroic materials. Here we study the perovskite halide CsSnBr3 as an embodiment of the broader materials class. We show that lone pair stereochemical activity due to the Sn(2+) s(2) lone pair causes a crystallographically hidden, locally distorted state to appear upon warming, a phenomenon previously referred to as emphanisis. The synchrotron X-ray pair distribution function acquired between 300 and 420 K reveals emerging asymmetry in the nearest-neighbor Sn-Br correlations, consistent with dynamic Sn(2+) off-centering, despite there being no evidence of any deviation from the average cubic structure. Computation based on density functional theory supports the finding of a lattice instability associated with dynamic off-centering of Sn(2+) in its coordination environment. Photoluminescence measurements reveal an unusual blue-shift with increasing temperature, closely linked to the structural evolution. At low temperatures, the structures reflect the influence of octahedral rotation. A continuous transition from an orthorhombic structure (Pnma, no. 62) to a tetragonal structure (P4/mbm, no. 127) is found around 250 K, with a final, first-order transformation at 286 K to the cubic structure (Pm3̅m, no. 221). PMID:27583813

  3. Ligand Lone-Pair Influence on Hydrocarbon C-H Activation. A Computational Perspective

    SciTech Connect

    Ess, Daniel H.; Gunnoe, T. Brent; Cundari, Thomas R.; Goddard, William A.; Periana, Roy A.

    2010-12-03

    Mid to late transition metal complexes that break hydrocarbon C-H bonds by transferring the hydrogen to a heteroatom ligand while forming a metal-alkyl bond offer a promising strategy for C-H activation. Here we report a density functional (B3LYP, M06, and X3LYP) analysis of cis-(acac)2MX and TpM(L)X (M = Ir, Ru, Os, and Rh; acac = acetylacetonate, Tp = tris(pyrazolyl)borate; X = CH3, OH, OMe, NH2, and NMe2) systems for methane C-H bond activation reaction kinetics and thermodynamics. We address the importance of whether a ligand lone pair provides an intrinsic kinetic advantage through possible electronic dπ-pπ repulsions for M-OR and M-NR2 systems versus M-CH3 systems. This involves understanding the energetic impact of the X ligand group on ligand loss, C-H bond coordination, and C-H bond cleavage steps as well as understanding how the nucleophilicity of the ligand X group, the electrophilicity of the transition metal center, and cis-ligand stabilization effect influence each of these steps. We also explore how spectator ligands and second- versus third-row transition metal centers impact the energetics of each of these C-H activation steps.

  4. Bournonite PbCuSbS3 : Stereochemically Active Lone-Pair Electrons that Induce Low Thermal Conductivity.

    PubMed

    Dong, Yongkwan; Khabibullin, Artem R; Wei, Kaya; Salvador, James R; Nolas, George S; Woods, Lilia M

    2015-10-26

    An understanding of the structural features and bonding of a particular material, and the properties these features impart on its physical characteristics, is essential in the search for new systems that are of technological interest. For several relevant applications, the design or discovery of low thermal conductivity materials is of great importance. We report on the synthesis, crystal structure, thermal conductivity, and electronic-structure calculations of one such material, PbCuSbS3 . Our analysis is presented in terms of a comparative study with Sb2 S3 , from which PbCuSbS3 can be derived through cation substitution. The measured low thermal conductivity of PbCuSbS3 is explained by the distortive environment of the Pb and Sb atoms from the stereochemically active lone-pair s(2) electrons and their pronounced repulsive interaction. Our investigation suggests a general approach for the design of materials for phase-change-memory, thermal-barrier, thermal-rectification and thermoelectric applications, as well as other functions for which low thermal conductivity is purposefully sought. PMID:26330172

  5. Orientational Ordering, Tilting and Lone-pair Activity in the Perovskite Methylammonium Tin Bromide, CH3NH3SnBr3

    SciTech Connect

    Swainson, I.; Chi, L; Her, J; Cranswick, L; Stephens, P; Winkler, B; Wilson, D; Milman, V

    2010-01-01

    Synchrotron powder diffraction data from methylammonium tin bromide, CH{sub 3}NH{sub 3}SnBr{sub 3}, taken as a function of temperature, reveal the existence of a phase between 230 and 188 K crystallizing in Pmc2{sub 1}, a = 5.8941 (2), b = 8.3862 (2), c = 8.2406 (2) {angstrom}. Strong ferroelectric distortions of the octahedra, associated with stereochemical activity of the Sn 5s{sup 2} lone pair, are evident. A group analysis and decomposition of the distortion modes of the inorganic framework with respect to the cubic parent is given. The primary order parameters driving this upper transition appear to be an in-phase tilt (rotation) of the octahedra coupled to a ferroelectric mode. The precise nature of the lower-temperature phase remains uncertain, although it appears likely to be triclinic. Density-functional theory calculations on such a triclinic cell suggest that directional bonding of the amine group to the halide cage is coupled to the stereochemical activity of the Sn lone pair via the Br atoms, i.e. that the bonding from the organic component may have a strong effect on the inorganic sublattice (principally via switching the direction of the lone pair with little to no energy cost).

  6. Orientational ordering, tilting and lone-pair activity in the perovskite methylammonium tin bromide, CH3NH3SnBr3.

    PubMed

    Swainson, Ian; Chi, Lisheng; Her, Jae Hyuk; Cranswick, Lachlan; Stephens, Peter; Winkler, Björn; Wilson, Daniel J; Milman, Victor

    2010-08-01

    Synchrotron powder diffraction data from methylammonium tin bromide, CH(3)NH(3)SnBr(3), taken as a function of temperature, reveal the existence of a phase between 230 and 188 K crystallizing in Pmc2(1), a = 5.8941 (2), b = 8.3862 (2), c = 8.2406 (2) A. Strong ferroelectric distortions of the octahedra, associated with stereochemical activity of the Sn 5s(2) lone pair, are evident. A group analysis and decomposition of the distortion modes of the inorganic framework with respect to the cubic parent is given. The primary order parameters driving this upper transition appear to be an in-phase tilt (rotation) of the octahedra coupled to a ferroelectric mode. The precise nature of the lower-temperature phase remains uncertain, although it appears likely to be triclinic. Density-functional theory calculations on such a triclinic cell suggest that directional bonding of the amine group to the halide cage is coupled to the stereochemical activity of the Sn lone pair via the Br atoms, i.e. that the bonding from the organic component may have a strong effect on the inorganic sublattice (principally via switching the direction of the lone pair with little to no energy cost). PMID:20631424

  7. Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties.

    PubMed

    Stoumpos, Constantinos C; Frazer, Laszlo; Clark, Daniel J; Kim, Yong Soo; Rhim, Sonny H; Freeman, Arthur J; Ketterson, John B; Jang, Joon I; Kanatzidis, Mercouri G

    2015-06-01

    The synthesis and properties of the hybrid organic/inorganic germanium perovskite compounds, AGeI3, are reported (A = Cs, organic cation). The systematic study of this reaction system led to the isolation of 6 new hybrid semiconductors. Using CsGeI3 (1) as the prototype compound, we have prepared methylammonium, CH3NH3GeI3 (2), formamidinium, HC(NH2)2GeI3 (3), acetamidinium, CH3C(NH2)2GeI3 (4), guanidinium, C(NH2)3GeI3 (5), trimethylammonium, (CH3)3NHGeI3 (6), and isopropylammonium, (CH3)2C(H)NH3GeI3 (7) analogues. The crystal structures of the compounds are classified based on their dimensionality with 1–4 forming 3D perovskite frameworks and 5–7 1D infinite chains. Compounds 1–7, with the exception of compounds 5 (centrosymmetric) and 7 (nonpolar acentric), crystallize in polar space groups. The 3D compounds have direct band gaps of 1.6 eV (1), 1.9 eV (2), 2.2 eV (3), and 2.5 eV (4), while the 1D compounds have indirect band gaps of 2.7 eV (5), 2.5 eV (6), and 2.8 eV (7). Herein, we report on the second harmonic generation (SHG) properties of the compounds, which display remarkably strong, type I phase-matchable SHG response with high laser-induced damage thresholds (up to ∼3 GW/cm(2)). The second-order nonlinear susceptibility, χS(2), was determined to be 125.3 ± 10.5 pm/V (1), (161.0 ± 14.5) pm/V (2), 143.0 ± 13.5 pm/V (3), and 57.2 ± 5.5 pm/V (4). First-principles density functional theory electronic structure calculations indicate that the large SHG response is attributed to the high density of states in the valence band due to sp-hybridization of the Ge and I orbitals, a consequence of the lone pair activation. PMID:25950197

  8. Lanthanide-Connecting and Lone-Electron-Pair Active Trigonal-Pyramidal-AsO3 Inducing Nanosized Poly(polyoxotungstate) Aggregates and Their Anticancer Activities

    PubMed Central

    Zhao, Jun-Wei; Li, Hai-Lou; Ma, Xing; Xie, Zhigang; Chen, Li-Juan; Zhu, Yongsheng

    2016-01-01

    By virtue of the stereochemical effect of the lone-electron pair located on the trigonal-pyramidal-AsO3 groups and the one-pot self-assembly strategy in the conventional aqueous solution, a series of novel lanthanide-bridging and lone-electron-pair active trigonal-pyramidal-AsO3 inducing nanosized poly(polyoxotungstate) aggregates [H2N(CH3)2]6 Na24H16{[Ln10W16(H2O)30O50](B-α-AsW9O33)8}·97H2O [Ln = EuIII (1), SmIII (2), GdIII (3), TbIII (4), DyIII (5), HoIII (6), ErIII (7), TmIII (8)] were prepared and further characterized by elemental analyses, IR spectra, UV spectra, thermogravimetric (TG) analyses and single-crystal X-ray diffraction. The most remarkable structural feature is that the polyanionic skeleton of {[Ln10W16(H2O)30O50](B-α-AsW9O33)8}46− is constructed from eight trivacant Keggin [B-α-AsW9O33]9− fragments through ten Ln centers and sixteen bridging W atoms in the participation of fifty extraneous oxygen atoms. Notably, 4 and 8 can be stable in the aqueous solution not only for eight days but also in the range of pH = 3.9–7.5. Moreover, the cytotoxicity tests of 4 and 8 toward human cervical cancer (HeLa) cells, human breast cancer (MCF–7) cells and mouse fibroblast (L929) cells were performed by the 3-(4,5-cimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide (MTT) assay and the cell apoptosis processes were characterized by calcein AM/PI staining experiments, annexin V-FITC/PI staining experiments and morphological changes. PMID:27193961

  9. Lanthanide-Connecting and Lone-Electron-Pair Active Trigonal-Pyramidal-AsO3 Inducing Nanosized Poly(polyoxotungstate) Aggregates and Their Anticancer Activities

    NASA Astrophysics Data System (ADS)

    Zhao, Jun-Wei; Li, Hai-Lou; Ma, Xing; Xie, Zhigang; Chen, Li-Juan; Zhu, Yongsheng

    2016-05-01

    By virtue of the stereochemical effect of the lone-electron pair located on the trigonal-pyramidal-AsO3 groups and the one-pot self-assembly strategy in the conventional aqueous solution, a series of novel lanthanide-bridging and lone-electron-pair active trigonal-pyramidal-AsO3 inducing nanosized poly(polyoxotungstate) aggregates [H2N(CH3)2]6 Na24H16{[Ln10W16(H2O)30O50](B-α-AsW9O33)8}·97H2O [Ln = EuIII (1), SmIII (2), GdIII (3), TbIII (4), DyIII (5), HoIII (6), ErIII (7), TmIII (8)] were prepared and further characterized by elemental analyses, IR spectra, UV spectra, thermogravimetric (TG) analyses and single-crystal X-ray diffraction. The most remarkable structural feature is that the polyanionic skeleton of {[Ln10W16(H2O)30O50](B-α-AsW9O33)8}46‑ is constructed from eight trivacant Keggin [B-α-AsW9O33]9‑ fragments through ten Ln centers and sixteen bridging W atoms in the participation of fifty extraneous oxygen atoms. Notably, 4 and 8 can be stable in the aqueous solution not only for eight days but also in the range of pH = 3.9–7.5. Moreover, the cytotoxicity tests of 4 and 8 toward human cervical cancer (HeLa) cells, human breast cancer (MCF–7) cells and mouse fibroblast (L929) cells were performed by the 3-(4,5-cimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide (MTT) assay and the cell apoptosis processes were characterized by calcein AM/PI staining experiments, annexin V-FITC/PI staining experiments and morphological changes.

  10. Lanthanide-Connecting and Lone-Electron-Pair Active Trigonal-Pyramidal-AsO3 Inducing Nanosized Poly(polyoxotungstate) Aggregates and Their Anticancer Activities.

    PubMed

    Zhao, Jun-Wei; Li, Hai-Lou; Ma, Xing; Xie, Zhigang; Chen, Li-Juan; Zhu, Yongsheng

    2016-01-01

    By virtue of the stereochemical effect of the lone-electron pair located on the trigonal-pyramidal-AsO3 groups and the one-pot self-assembly strategy in the conventional aqueous solution, a series of novel lanthanide-bridging and lone-electron-pair active trigonal-pyramidal-AsO3 inducing nanosized poly(polyoxotungstate) aggregates [H2N(CH3)2]6 Na24H16{[Ln10W16(H2O)30O50](B-α-AsW9O33)8}·97H2O [Ln = Eu(III) (1), Sm(III) (2), Gd(III) (3), Tb(III) (4), Dy(III) (5), Ho(III) (6), Er(III) (7), Tm(III) (8)] were prepared and further characterized by elemental analyses, IR spectra, UV spectra, thermogravimetric (TG) analyses and single-crystal X-ray diffraction. The most remarkable structural feature is that the polyanionic skeleton of {[Ln10W16(H2O)30O50](B-α-AsW9O33)8}(46-) is constructed from eight trivacant Keggin [B-α-AsW9O33](9-) fragments through ten Ln centers and sixteen bridging W atoms in the participation of fifty extraneous oxygen atoms. Notably, 4 and 8 can be stable in the aqueous solution not only for eight days but also in the range of pH = 3.9-7.5. Moreover, the cytotoxicity tests of 4 and 8 toward human cervical cancer (HeLa) cells, human breast cancer (MCF-7) cells and mouse fibroblast (L929) cells were performed by the 3-(4,5-cimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide (MTT) assay and the cell apoptosis processes were characterized by calcein AM/PI staining experiments, annexin V-FITC/PI staining experiments and morphological changes. PMID:27193961

  11. Adjacent Lone Pair (ALP) Effect: A Computational Approach for Its Origin.

    PubMed

    Zhang, Huaiyu; Wu, Wei; Ahmed, Basil M; Mezei, Gellert; Mo, Yirong

    2016-05-23

    The adjacent lone pair (ALP) effect is an experimental phenomenon in certain nitrogenous heterocyclic systems exhibiting the preference of the products with lone pairs separated over other isomers with lone pairs adjacent. A theoretical elucidation of the ALP effect requires the decomposition of intramolecular energy terms and the isolation of lone pair-lone pair interactions. Here we used the block-localized wavefunction (BLW) method within the ab initio valence bond (VB) theory to derive the strictly localized orbitals which are used to accommodate one-atom centered lone pairs and two-atom centered σ or π bonds. As such, interactions among electron pairs can be directly derived. Two-electron integrals between adjacent lone pairs do not support the view that the lone pair-lone pair repulsion is responsible for the ALP effect. Instead, the disabling of π conjugation greatly diminishes the ALP effect, indicating that the reduction of π conjugation in deprotonated forms with two σ lone pairs adjacent is one of the major causes for the ALP effect. Further electrostatic potential analysis and intramolecular energy decomposition confirm that the other key factor is the favorable electrostatic attraction within the isomers with lone pairs separated. PMID:27139318

  12. Scent-marking in lone wolves and newly formed pairs

    USGS Publications Warehouse

    Rothman, R.J.; Mech, L.D.

    1979-01-01

    Scent-marking was studied in wolves (Canis lupus) along 133 km of tracks in northern Minnesota during winters of 1975 to 1976 and 1976 to 1977 and in two captive packs and four captive pairs for various periods. Lone wolves, which possess neither mates nor territories, rarely marked by raised-leg urination and defaecated and urinated less along roads and trails, where territorial pairs and packs generally marked. Newly formed pairs marked the most, eventually decreasing their rates to those of established packs. Generally, wolves that scent-marked also bred, whereas non-marking wolves usually did not breed. Scent-marking apparently is important to the success of courtship in new pairs and to reproductive synchrony in established pairs, as well as serving a territorial function.

  13. On the stereochemical inertness of the auride lone pair: ab initio studies of AAu (A = K, Rb, Cs).

    PubMed

    Miao, Maosheng; Brgoch, Jakoah; Krishnapriyan, Aditi; Goldman, Abby; Kurzman, Joshua A; Seshadri, Ram

    2013-07-15

    The "lone" 6s electron pair often plays a key role in determining the structure and physical properties of compounds containing sixth-row elements in their lower oxidation states: Tl(+), Pb(2+), and Bi(3+) with the [Xe]4f(14)5d(10)6s(2) electronic configuration. The lone pairs on these ions are associated with reduced structural symmetries, including ferroelectric instabilities and other important phenomena. Here we consider the isoelectronic auride Au(-) ion with the [Xe]4f(14)5d(10)6s(2) electronic configuration. Ab initio density functional theory methods are employed to probe the effect of the 6s lone pair in alkali-metal aurides (KAu, RbAu, and CsAu) with the CsCl structure. The dielectric constants, Born effective charges, and structural instabilities suggest that the 6s lone pair on the Au(-) anion is stereochemically inert to minor mechanical and electrical perturbation. Pressures greater than 14 GPa, however, lead to reorganization of the electronic structure of CsAu and activate lone-pair involvement and Au-Au interactions in bonding, resulting in a transformation from the cubic CsCl structure type to an orthorhombic Cmcm structure featuring zigzag Au-Au chains. PMID:23822069

  14. Computational investigation of the Bi lone-pairs in monoclinic bismuth triborate BiB3O6.

    PubMed

    Yang, Jun; Dolg, Michael

    2007-05-01

    The Bi-O interactions and the Bi lone-pairs in monoclinic BiB3O6 are investigated with gradient-corrected hybrid B3PW density functional theory within the Gaussian-orbital-based CO-LCAO scheme. The Bi 6s and O 2p orbitals contribute to both bonding and antibonding interactions below the Fermi level. The stereochemical activity of the Bi lone-pairs was found to have a major origination from the primary interaction for the Bi 6s-O 2p antibonding orbital. The Bi 6p orbitals are not critically responsible for the non-spherical shape of the Bi lone-pairs, although they indeed participate into the secondary interaction with the Bi 6s-O 2p antibonding states. It is also suggested that O 2p components within the Bi lone-pairs are dominantly significant for the optical responses of BiB3O6 over the Bi 6s components. PMID:17464390

  15. Glass-forming ability and rigidity percolation in SeTePb lone-pair semiconductors

    NASA Astrophysics Data System (ADS)

    Sharma, Pankaj

    2016-04-01

    Correlating the various physical parameters of known semiconductors and pointing the properties of new ones, a number of parameters have been employed recently with different levels of success. Taking this into account an attempt has been made to correlate the physical properties of Pb-doped Se-Te lone-pair semiconductors. The small band gap and large Bohr radius of lead (Pb) containing lone-pair semiconductors assist them with specific optical, electrical and thermal properties. The various physical parameters like number of constraints, lone pair of electron, heat of atomization, density, compactness, free volume percentage have been analyzed in terms of mean coordination number for (Se90Te10)100- x Pb x (x = 0, 4, 8, 12, 16, 20, 24). The band gap for the compositions has been determined theoretically, and the obtained results are very well explained in terms of cohesive energy, electronegativity and average single bond energy.

  16. Contribution of lone-pairs to birefringence affected by the Pb(II) coordination environment: a DFT investigation.

    PubMed

    Jing, Qun; Yang, Zhihua; Pan, Shilie; Xue, Dongfeng

    2015-09-14

    Pb(II) cations have long been associated with lone-pairs which can help to enhance the optical anisotropic birefringence. In this paper, the contribution of lead cations to birefringence has been investigated using first-principles and real-space atom-cutting methods. The results show that the contribution of lead cations to birefringence is determined by the degree of stereochemical activity, which is affected by the coordination environment of lead cations. PMID:26234398

  17. Impact of Lone-Pair Electrons on Thermal Conductivity in CuSbS2 Compound

    NASA Astrophysics Data System (ADS)

    Du, Baoli; Zhang, Ruizhi; Chen, Kan; Reece, Michael; Material research institute Team

    Compounds with intrinsically low lattice thermal conductivity are of practical importance for thermoelectric energy conversion. Recent studies suggest that s2 lone pair orbital electrons are a key contributing factor to the anomalously low lattice thermal conductivity of chalcogenide compounds that contain a nominally trivalent group VA element. CuSbS2 has an orthorhombic structure with space group Pnma. The pyramidal SbS5 units are separated by CuS4 tetrahedron so that the base of the square pyramidal units are aligned to face one another, thus directing the Sb lone pair electron density into the void separating the SbS5 units. Different from tetrahedrite, all the Cu atoms are bonded in the CuS4 tetrahedron. So, it has a perfect structure to study the influence of electron lone pair on thermal conductivity without the impact from trigonal coordinated Cu. In this work, the trivalent transition metal atom Fe and IIIA atom Ga without lone-pair electrons were chosen to substitute Sb in CuSbS2. The changes in the bonding environment by foreign atoms and their influences on the thermal properties have been studied and correlated. Marie Curie International Incoming Fellowship of the European Community Human Potential Program under Contract No. PIIF-GA-2013-622847.

  18. Nature of the Xe(VI)-N Bonds in F6 XeNCCH3 and F6 Xe(NCCH3)2 and the Stereochemical Activity of Their Xenon Valence Electron Lone Pairs.

    PubMed

    Haner, Jamie; Matsumoto, Kazuhiko; Mercier, Hélène P A; Schrobilgen, Gary J

    2016-03-24

    The recently reported syntheses and X-ray crystal structures of the highly endothermic compounds F6XeNCCH3 and F6Xe(NCCH3)2 ⋅CH3CN provide the first, albeit weakly covalent, Xe(VI)-N bonds. The XeF6 unit of F6 XeNCCH3 possesses distorted octahedral (C3v ) symmetry similar to gas-phase XeF6 , whereas the XeF6 unit of F6 Xe(NCCH3)2 ⋅CH3CN possesses C2v symmetry. Herein, the natural bond orbital (NBO), atoms in molecules (AIM), electron localization function (ELF), and molecular electrostatic potential surface (MEPS) analyses show that the Xe valence electron lone pairs (VELPs) of both compounds are stereochemically active. The Xe VELPS are diffuse and ineffectively screen their Xe cores so that the Xe VELP positions correspond to the most electrophilic regions of the MEPS, which enables the opposing N VELP of CH3CN to coordinate to this region. These bonds are predominantly electrostatic in nature and are interpreted as σ-hole interactions. PMID:26918266

  19. Lone-pair interactions and photodissociation of compressed nitrogen trifluoride

    SciTech Connect

    Kurzydłowski, D.; Wang, H. B.; Eremets, M. I.; Troyan, I. A.

    2014-08-14

    High-pressure behavior of nitrogen trifluoride (NF{sub 3}) was investigated by Raman and IR spectroscopy at pressures up to 55 GPa and room temperature, as well as by periodic calculations up to 100 GPa. Experimentally, we find three solid-solid phase transitions at 9, 18, and 39.5 GPa. Vibrational spectroscopy indicates that in all observed phases NF{sub 3} remains in the molecular form, in contrast to the behavior of compressed ammonia. This finding is confirmed by density functional theory calculations, which also indicate that the phase transitions of compressed NF{sub 3} are governed by the interplay between lone‑pair interactions and efficient molecule packing. Although nitrogen trifluoride is molecular in the whole pressure range studied, we show that it can be photodissociated by mid-IR laser radiation. This finding paves the way for the use of NF{sub 3} as an oxidizing and fluorinating agent in high-pressure reactions.

  20. Lone-pair distribution and plumbite network formation in high lead silicate glass, 80PbO·20SiO2.

    PubMed

    Alderman, Oliver L G; Hannon, Alex C; Holland, Diane; Feller, Steve; Lehr, Gloria; Vitale, Adam J; Hoppe, Uwe; Zimmerman, Martin v; Watenphul, Anke

    2013-06-14

    For the first time a detailed structural model has been determined which shows how the lone-pairs of electrons are arranged relative to each other in a glass network containing lone-pair cations. High energy X-ray and neutron diffraction patterns of a very high lead content silicate glass (80PbO·20SiO2) have been used to build three-dimensional models using empirical potential structure refinement. Coordination number and bond angle distributions reveal structural similarity to crystalline Pb11Si3O17 and α- and β-PbO, and therefore strong evidence for a plumbite glass network built from pyramidal [PbO(m)] polyhedra (m ~ 3-4), with stereochemically active lone-pairs, although with greater disorder in the first coordination shell of lead compared to the first coordination shell of silicon. The oxygen atoms are coordinated predominantly to four cations. Explicit introduction of lone-pair entities into some models leads to modification of the local Pb environment, whilst still allowing for reproduction of the measured diffraction patterns, thus demonstrating the non-uniqueness of the solutions. Nonetheless, the models share many features with crystalline Pb11Si3O17, including the O-Pb-O bond angle distribution, which is more highly structured than reported for lower Pb content glasses using reverse Monte Carlo techniques. The lone-pair separation of 2.85 Å in the model glasses compares favourably with that estimated in α-PbO as 2.88 Å, and these lone-pairs organise to create voids in the glass, just as they create channels in Pb11Si3O17 and interlayer spaces in the PbO polymorphs. PMID:23657606

  1. The impact of lone pair-π interactions on photochromic properties in 1-D naphthalene diimide coordination networks.

    PubMed

    Liu, Jian-Jun; Guan, Ying-Fang; Chen, Yong; Lin, Mei-Jin; Huang, Chang-Cang; Dai, Wen-Xin

    2015-10-21

    Lone pair-π interaction is an important but less studied binding force. Generally, it is too weak to influence the physical properties of supramolecular systems. Herein we reported the first example exhibiting the impact of lone pair-π interactions on photochromic properties of naphthalene diimide based coordination networks. In three isostructural 1-D networks, [(DPNDI)ZnX2] (DPNDI = N,N-di(4-pyridyl)-1,4,5,8-naphthalene diimide, X = Cl for 1, X = Br for 2 and X = I for 3), they exhibit different electron-transfer photochromic behaviors due to different lone pair-π interactions between the capped halogen atoms and electron-deficient DPNDI moieties. Specifically, 1 and 2 but not 3 are photochromic, which is attributed to a stronger lone pair-π interaction in 3 than those in 1 and 2. This study anticipates breaking a new path for designing novel photochromic materials through such unnoticeable supramolecular interactions. PMID:26388114

  2. Observations on the birth and subsequent care of twin offspring by a lone pair of wild emperor tamarins (Saguinus imperator).

    PubMed

    Windfelder, T L

    2000-10-01

    The birth of emperor tamarin (Saguinus imperator) twins was observed in the wild. The mother was a member of lone pair in a marked population of emperor tamarins in the Manu National Park, Peru. This report describes the birth and provides subsequent information on infant care and survival. Despite some difficulties, this lone pair of relatively young, primiparous emperor tamarins was able to successfully raise twin offspring to the age of at least 1 month. PMID:11051446

  3. Aun (n = 1,11) Clusters Interacting With Lone-Pair Ligands.

    PubMed

    Rajský, Tomáš; Urban, Miroslav

    2016-06-01

    We analyze the pattern of binding energies (BEs) of small Aun clusters (n = 1-7, 11) with lone-pair ligands (L = H2O, SH2, NH3, PH3, PF3, PCl3, and PMe3) employing the density functional theory. We use PBE0 functional with the dispersion correction and scalar relativistic effective core potential. This approach provides correct BEs when compared with benchmark CCSD(T) calculations for Au-L and Au2-L complexes. The pattern of BEs of Aun-L complexes is irregular with BE for Au3 ≈ Au4 > Au2 > Au7 > Au5 > Au11 > Au6 > Au1. Electron affinities (EAs) of Aun clusters exhibit oscillatory pattern with the cluster size. Binding energies of Aun-L complexes are oscillatory as well following EAs of Aun clusters. BEs of odd and even Aun-L complexes were analyzed separately. The bonding mechanism in odd Aun-L complexes is dominated by the lone pair → metal electron donation to the singly occupied valence Aun orbital accompanied by the back-donation. Even Aun clusters create covalent Aun-L bonds with BEs higher than those in odd Aun-L complexes. The BEs pattern and optimized geometries of Aun-L complexes correspond to the picture of creating the gold-ligand bond through the lone pair of a ligand interacting with the singly occupied molecular orbital in odd clusters or lowest unoccupied molecular orbital in even clusters of Aun. Ligands in both odd and even Aun-L complexes form three groups with binding energies that correlate with their ionization energies. The lowest BE is calculated for H2O as a ligand, followed by SH2 and NH3. PX3 ligands exhibit highest BEs. PMID:27187633

  4. The influence of intramolecular sulfur-lone pair interactions on small-molecule drug design and receptor binding.

    PubMed

    Hudson, B M; Nguyen, E; Tantillo, D J

    2016-04-28

    Sulfur-lone pair interactions are important conformational control elements in sulfur-containing heterocycles that abound in pharmaceuticals, natural products, agrochemicals, polymers and other important classes of organic molecules. Nonetheless, the role of intramolecular sulfur-lone pair interactions in the binding of small molecules to receptors is often overlooked. Here we analyze the magnitudes and origins of these interactions for a variety of biologically relevant small molecules using quantum chemical and automated docking calculations. In most cases examined in this study, the lowest energy conformation of the small molecule displays a sulfur-lone pair close contact. However, docking studies, both published and new, often predict that conformations without sulfur-lone pair contacts have the best binding affinity for their respective receptors. This is a serious problem. Since many of these predicted bound conformations are not actually energetically accessible, pursuing design (e.g., drug design) around these binding modes necessarily will lead, serendipity aside, to dead end designs. Our results constitute a caution that one best not neglect these interactions when predicting the binding affinities of potential ligands (drugs or not) for hosts (enzymes, receptors, DNA, RNA, synthetic hosts). Moreover, a better understanding and awareness of sulfur-lone pair interactions should facilitate the rational modulation of host-guest interactions involving sulfur-containing molecules. PMID:27049933

  5. Experimental Evidence of Lone Pairs - π System Interaction: the Rotational Spectrum of Chlorotrifluoroethylene - Water Complex

    NASA Astrophysics Data System (ADS)

    Evangelisti, L.; Gou, Q.; Feng, G.; Caminati, W.

    2013-06-01

    Chemists have always been interested in labeling the interactions between the molecules, i.e. from covalent to ionic bond or van der Waals force. Certainly the most important non-covalent bond is the hydrogen bond, also of fundamental importance in biology. More recently also weak Hbond, sometimes in competion with halogen bonding, have been investigated because they have assumed a fundamental importance. Here, we show the lone pairs - π interaction prevails on the latter ones. We measured the molecular beam Fourier transform microwave spectra of five isotopologues of the 1:1 adduct of chlorotrifluoroethylene with water. Besides the rotational constants, the quadrupole coupling constants of the chlorine atom have been determined. Quantum chemistry calculations, at the MP2/6-311++G(d,p) level, have been carried out in order to obtain information about the structure and relative stability of the conformers under study.

  6. Lone-pair interactions in the photoelectron spectra of dicarboxylic acids: malonic acid and its α-alkyl derivatives

    NASA Astrophysics Data System (ADS)

    Ajò, D.; Ciliberto, E.; Fragalà, I.; Granozzi, G.

    1980-02-01

    Photoelectron spectra of malonic, methylmalonic and diethylmalonic acids are reported. The energy splitting of photoelectron bands representing carbonyl oxygen lone pairs is due to a "through-bond" interaction mechanism. The magnitude of the splitting depends upon the α-alkyl substitution because of conformational effects.

  7. Rotational Study of Dimethyl Ether-Chlorotrifluoroethylene: Lone Pair···π Interaction Links the Two Subunits.

    PubMed

    Spada, Lorenzo; Gou, Qian; Geboes, Yannick; Herrebout, Wouter A; Melandri, Sonia; Caminati, Walther

    2016-07-14

    The rotational spectra of two isotopologues of chlorotrifluoroethylene-dimethyl ether show that the two constituent molecules are held together by a lone pair···π interaction. The ether oxygen is linked to the (CF2) carbon atom, with a C-O distance of 2.908 Å. PMID:26812179

  8. Dependence of the lone pair of bismuth on coordination environment and pressure: An ab initio study on Cu{sub 4}Bi{sub 5}S{sub 10} and Bi{sub 2}S{sub 3}

    SciTech Connect

    Arnskov Olsen, Lars; Lopez-Solano, Javier; Garcia, Alberto; Balic-Zunic, Tonci; Makovicky, Emil

    2010-09-15

    DFT calculations have been carried out for Cu{sub 4}Bi{sub 5}S{sub 10} and Bi{sub 2}S{sub 3} to provide an analysis of the relation between electronic structure, lone electron pairs and the local geometry. The effect of pressure is considered in Bi{sub 2}S{sub 3} and the results are compared to published experimental data. Bi{sup 3+} in Cu{sub 4}Bi{sub 5}S{sub 10} is found at both symmetrically and asymmetrically coordinated sites, whereas the coordination environments of Bi in Bi{sub 2}S{sub 3} are asymmetric at room conditions and get more regular with increasing pressure. The charge density maps of the asymmetric sites show the lone pairs as lobes of non-shared charge. These lobes are related to an effective Bi s-Bi p hybridization resulting from coupling to S p orbitals, supporting the modern view of the origin of the stereochemically active lone pair. No effective Bi s-p hybridization is seen for the symmetric site in Cu{sub 4}Bi{sub 5}S{sub 10}, whereas Bi s-p hybridization coexists with a much reduced lone pair in Bi{sub 2}S{sub 3} at high pressure. - Graphical abstract: The article includes charge density maps used to analyze the charge distribution around bismuth in sulfides. This map shows the orientation of a lone electron pair.

  9. Lone-pair-π interactions: analysis of the physical origin and biological implications.

    PubMed

    Novotný, Jan; Bazzi, Sophia; Marek, Radek; Kozelka, Jiří

    2016-07-28

    Lone-pair-π (lp-π) interactions have been suggested to stabilize DNA and protein structures, and to participate in the formation of DNA-protein complexes. To elucidate their physical origin, we have carried out a theoretical multi-approach analysis of two biologically relevant model systems, water-indole and water-uracil complexes, which we compared with the structurally similar chloride-tetracyanobenzene (TCB) complex previously shown to contain a strong charge-transfer (CT) binding component. We demonstrate that the CT component in lp-π interactions between water and indole/uracil is significantly smaller than that stabilizing the Cl(-)-TCB reference system. The strong lp(Cl(-))-π(TCB) orbital interaction is characterized by a small energy gap and an efficient lp-π* overlap. In contrast, in lp-π interactions between water and indole or uracil, the corresponding energy gap is larger and the overlap less efficient. As a result, water-uracil and water-indole interactions are weak forces composed by smaller contributions from all energy components: electrostatics, polarization, dispersion, and charge transfer. In addition, indole exhibits a negative electrostatic potential at its π-face, making lp-π interactions less favorable than O-Hπ hydrogen bonding. Consequently, some of the water-tryptophan contacts observed in X-ray structures of proteins and previously interpreted as lp-π interactions [Luisi, et al., Proteins, 2004, 57, 1-8], might in fact arise from O-Hπ hydrogen bonding. PMID:27411074

  10. The Origin of Ultralow Thermal Conductivity in InTe: Lone-Pair-Induced Anharmonic Rattling.

    PubMed

    Jana, Manoj K; Pal, Koushik; Waghmare, Umesh V; Biswas, Kanishka

    2016-06-27

    Understanding the origin of intrinsically low thermal conductivity is fundamentally important to the development of high-performance thermoelectric materials, which can convert waste-heat into electricity. Herein, we report an ultralow lattice thermal conductivity (ca. 0.4 W m(-1)  K(-1) ) in mixed valent InTe (that is, In(+) In(3+) Te2 ), which exhibits an intrinsic bonding asymmetry with coexistent covalent and ionic substructures. The phonon dispersion of InTe exhibits, along with low-energy flat branches, weak instabilities associated with the rattling vibrations of In(+) atoms along the columnar ionic substructure. These weakly unstable phonons originate from the 5s(2) lone pair of the In(+) atom and are strongly anharmonic, which scatter the heat-carrying acoustic phonons through strong anharmonic phonon-phonon interactions, as evident in anomalously high mode Grüneisen parameters. A maximum thermoelectric figure of merit (z T) of about 0.9 is achieved at 600 K for the 0.3 mol % In-deficient sample, making InTe a promising material for mid-temperature thermoelectric applications. PMID:26918541

  11. Effects of interlayer Sn-Sn lone pair interaction on the band gap of bulk and nanosheet SnO

    NASA Astrophysics Data System (ADS)

    Umezawa, Naoto; Zhou, Wei

    2015-03-01

    Effects of interlayer lone-pair interactions on the electronic structure of SnO are firstly explored by the density-functional theory. Our comprehensive study reveals that the band gap of SnO opens as increase in the interlayer Sn-Sn distance. The effect is rationalized by the character of band edges which consists of bonding and anti-bonding states from interlayer lone pair interactions. The band edges for several nanosheets and strained double-layer SnO are estimated. We conclude that the double-layer SnO is a promising material for visible-light driven photocatalyst for hydrogen evolution. This work is supported by the Japan Science and Technology Agency (JST) Precursory Research for Embryonic Science and Technology (PRESTO) program.

  12. On the satisfaction of backbone-carbonyl lone pairs of electrons in protein structures.

    PubMed

    Bartlett, Gail J; Woolfson, Derek N

    2016-04-01

    Protein structures are stabilized by a variety of noncovalent interactions (NCIs), including the hydrophobic effect, hydrogen bonds, electrostatic forces and van der Waals' interactions. Our knowledge of the contributions of NCIs, and the interplay between them remains incomplete. This has implications for computational modeling of NCIs, and our ability to understand and predict protein structure, stability, and function. One consideration is the satisfaction of the full potential for NCIs made by backbone atoms. Most commonly, backbone-carbonyl oxygen atoms located within α-helices and β-sheets are depicted as making a single hydrogen bond. However, there are two lone pairs of electrons to be satisfied for each of these atoms. To explore this, we used operational geometric definitions to generate an inventory of NCIs for backbone-carbonyl oxygen atoms from a set of high-resolution protein structures and associated molecular-dynamics simulations in water. We included more-recently appreciated, but weaker NCIs in our analysis, such as n→π* interactions, Cα-H bonds and methyl-H bonds. The data demonstrate balanced, dynamic systems for all proteins, with most backbone-carbonyl oxygen atoms being satisfied by two NCIs most of the time. Combinations of NCIs made may correlate with secondary structure type, though in subtly different ways from traditional models of α- and β-structure. In addition, we find examples of under- and over-satisfied carbonyl-oxygen atoms, and we identify both sequence-dependent and sequence-independent secondary-structural motifs in which these reside. Our analysis provides a more-detailed understanding of these contributors to protein structure and stability, which will be of use in protein modeling, engineering and design. PMID:26833776

  13. On the satisfaction of backbone‐carbonyl lone pairs of electrons in protein structures

    PubMed Central

    2016-01-01

    Abstract Protein structures are stabilized by a variety of noncovalent interactions (NCIs), including the hydrophobic effect, hydrogen bonds, electrostatic forces and van der Waals’ interactions. Our knowledge of the contributions of NCIs, and the interplay between them remains incomplete. This has implications for computational modeling of NCIs, and our ability to understand and predict protein structure, stability, and function. One consideration is the satisfaction of the full potential for NCIs made by backbone atoms. Most commonly, backbone‐carbonyl oxygen atoms located within α‐helices and β‐sheets are depicted as making a single hydrogen bond. However, there are two lone pairs of electrons to be satisfied for each of these atoms. To explore this, we used operational geometric definitions to generate an inventory of NCIs for backbone‐carbonyl oxygen atoms from a set of high‐resolution protein structures and associated molecular‐dynamics simulations in water. We included more‐recently appreciated, but weaker NCIs in our analysis, such as n→π* interactions, Cα‐H bonds and methyl‐H bonds. The data demonstrate balanced, dynamic systems for all proteins, with most backbone‐carbonyl oxygen atoms being satisfied by two NCIs most of the time. Combinations of NCIs made may correlate with secondary structure type, though in subtly different ways from traditional models of α‐ and β‐structure. In addition, we find examples of under‐ and over‐satisfied carbonyl‐oxygen atoms, and we identify both sequence‐dependent and sequence‐independent secondary‐structural motifs in which these reside. Our analysis provides a more‐detailed understanding of these contributors to protein structure and stability, which will be of use in protein modeling, engineering and design. PMID:26833776

  14. N lone-pair···π interaction: a rotational study of chlorotrifluoroethylene···ammonia.

    PubMed

    Gou, Qian; Spada, Lorenzo; Geboes, Yannick; Herrebout, Wouter A; Melandri, Sonia; Caminati, Walther

    2015-03-28

    The rotational spectra of four isotopologues of the adduct C2F3Cl-NH3 show that NH3 is bound to the partner molecule through a (N)lone-pair···π interaction. Ammonia is located in proximity to the C2 atom (the one linked to two fluorine atoms), with the C2···N distance = 2.987(2) Å. The nuclear hyperfine structure due to the quadrupole coupling effects of (35)Cl/(37)Cl and (14)N nuclei has been fully resolved. The (14)N quadrupole coupling constants allow estimating the effective orientation of NH3 in the complex. PMID:25484247

  15. Role of lone-pair electrons in Sb-doped amorphous InGaZnO4: Suppression of the hole-induced lattice instability

    NASA Astrophysics Data System (ADS)

    Nahm, Ho-Hyun; Kim, Yong-Sung

    2013-04-01

    Transparent amorphous oxide semiconductors (TAOS's) are of practical importance for applications including oxide electronics and displays. Here we show the lone-pair s-electrons incorporated by for example Sb-doping can suppress the hole-induced lattice instability, which has been a major obstacle to commercial application of the TAOS-based thin film transistors. The Sb(III)-O spσ* hybridization in the top-most valence states makes the lone-pair s-electrons to capture the excited holes, the Sb(V)O6 octahedral bonding configuration by which formed is easily dissociated into the stable lone-pair Sb(III) state by recapturing conduction electrons.

  16. σ-Hole···π and lone pair···π interactions in benzylic halides.

    PubMed

    Montoro, Teresa; Tardajos, Gloria; Guerrero, Andrés; Torres, María del Rosario; Salgado, Cástor; Fernández, Israel; Osío Barcina, José

    2015-06-14

    Intermolecular and intramolecular halogen···π interactions in benzylic halides (Ph-CR2-X; X = F, Cl, Br and I) derived from 7-phenylnorbornane were investigated. The imposed geometry of the 7-arylnorbornane moiety prevents the participation of intramolecular attractive interactions between the σ-hole region of the halogen atom and the π electrons of the aromatic ring. Crystallographic data show intermolecular halogen bonds in iodide 1 and bromide 2 in the solid state. On the other hand, both UV-Vis and D-NMR data suggest the occurrence of intramolecular interactions between the halogen atoms and the phenyl rings in these compounds in solution. To provide more insight into the nature of the observed stabilizing interactions, density functional calculations were also carried out. These computations confirm the presence of genuine lone pairπ intramolecular interactions which strongly affect the stability and the electronic structure of these species. PMID:25960103

  17. Communication: Oscillating charge migration between lone pairs persists without significant interaction with nuclear motion in the glycine and Gly-Gly-NH-CH{sub 3} radical cations

    SciTech Connect

    Vacher, Morgane; Bearpark, Michael J.; Robb, Michael A.

    2014-05-28

    Coupled electron-nuclear dynamics has been studied, using the Ehrenfest method, for four conformations of the glycine molecule and a single conformation of Gly-Gly-NH-CH{sub 3}. The initial electronic wavepacket was a superposition of eigenstates corresponding to ionization from the σ lone pairs associated with the carbonyl oxygens and the amine nitrogen. For glycine, oscillating charge migration (when the nuclei were frozen) was observed for the 4 conformers studied with periods ranging from 2 to 5 fs, depending on the energy gap between the lone pair cationic states. When coupled nuclear motion was allowed (which was mainly NH{sub 2} partial inversion), the oscillations hardly changed. For Gly-Gly-NH-CH{sub 3}, charge migration between the carbonyl oxygens and the NH{sub 2} lone pair can be observed with a period similar to glycine itself, also without interaction with nuclear motion. These simulations suggest that charge migration between lone pairs can occur independently of the nuclear motion.

  18. Lone pair⋯π interactions involving carbonyl π-systems: Experimental and theoretical study of the complexes of COF2 and COFCl with dimethyl ether

    NASA Astrophysics Data System (ADS)

    Geboes, Yannick; De Proft, Frank; Herrebout, Wouter A.

    2016-09-01

    In this theoretical and experimental study, the ability of carbonyl fluoride (COF2) and carbonyl chloride fluoride (COFCl) to form noncovalent interactions with the Lewis base dimethyl ether (DME) is assessed. From ab initio calculations, two stable complexes are found for COF2·DME, both formed through a lone pair⋯π interaction. FTIR measurements on liquefied noble gas solutions, supported by ab initio calculations, statistical thermodynamical calculations and Monte Carle Free Energy Perturbation calculations, show that a 1:1 lone pair⋯π bonded complex is found in solution, with an experimental complexation enthalpy of -14.5(3) kJ mol-1. For COFCl·DME three lone pair⋯π complexes, as well as a Cl⋯O halogen bonded complex, are found from ab initio calculations. Experimentally, clear complex bands for 1:1 lone pair⋯π complexes are observed, with an experimental complexation enthalpy of -11.4(2) kJ mol-1. Furthermore, indications of the presence of a small amount of the halogen bonded complex are also observed.

  19. A non-Karplus effect: evidence from phosphorus heterocycles and DFT calculations of the dependence of vicinal phosphorus-hydrogen NMR coupling constants on lone-pair conformation.

    PubMed

    Hersh, William H; Lam, Sherrell T; Moskovic, Daniel J; Panagiotakis, Antonios J

    2012-06-01

    In contrast to literature reports of a Karplus-type curve that correlates (3)J(PH) with phosphorus-hydrogen dihedral angle, a recently reported glycine-derived 1,3,2-oxazaphospholidine (7c) has two hydrogen atoms on the ring with identical PNCH dihedral angles but measured coupling constants of ∼6 and 1.5 Hz. DFT calculations were in accord with these values and suggested that the smaller coupling constant is negative. Experimental evidence of the opposite signs of these coupling constants was obtained by analysis of the ABX NMR spectrum of the new glycine-derived N-p-toluenesulfonyl phosphorus heterocycle 6c. DFT calculations on 6c and on Me(2)NPCl(2) and t-BuPCl(2) were also in accord with NMR data and allowed confirmation of unusual features including a lone pair effect on (3)J(PH), the negative coupling constant, temperature-dependent chemical shifts due to rotation about the sulfonamide S-N bond, and vicinal phosphorus-hydrogen coupling constants over 40 Hz. Calculation of phosphorus-hydrogen coupling constants both as a function of PYCH dihedral angle θ (Y = O, N, C) and lone pair-PYC dihedral angle ω shows similar θ,ω surfaces for (3)J(PH) with a range of (3)J(PH) from -4.4 to +51 Hz and demonstrates the large non-Karplus effect of lone-pair conformation on vicinal phosphorus-hydrogen coupling constants. PMID:22612503

  20. A Non–Karplus Effect: Evidence from Phosphorus Heterocycles and DFT Calculations of the Dependence of Vicinal Phosphorus-Hydrogen NMR Coupling Constants on Lone-Pair Conformation

    PubMed Central

    Lam, Sherrell T.; Moskovic, Daniel J.; Panagiotakis, Antonios J.

    2012-01-01

    In contrast to literature reports of a Karplus-type curve that correlates 3JPH with phosphorus-hydrogen dihedral angle, a recently-reported glycine-derived 1,3,2-oxazaphospholidine (7c) has two hydrogen atoms on the ring with identical PNCH dihedral angles but measured coupling constants of ~6 Hz and 1.5 Hz. DFT calculations were in accord with these values, and suggested that the smaller coupling constant is negative. Experimental evidence of the opposite signs of these coupling constants was obtained by analysis of the ABX NMR spectrum of the new glycine-derived N-p-toluenesulfonyl phosphorus heterocycle 6c. DFT calculations on 6c and on Me2NPCl2 and t-BuPCl2 were also in accord with NMR data, and allowed confirmation of unusual features including a lone pair effect on 3JPH, the negative coupling constant, temperature-dependent chemical shifts due to rotation about the sulfonamide S-N bond, and vicinal phosphorus-hydrogen coupling constants over 40 Hz. Calculation of phosphorus-hydrogen coupling constants both as a function of PYCH dihedral angle θ(Y = O, N, C) and lone pair-PYC dihedral angle ω showed similar θ,ω surfaces for 3JPH with a range of 3JPH from −4.4 Hz to +51 Hz, and demonstrates the large non–Karplus effect of lone-pair conformation on vicinal phosphorus-hydrogen coupling constants. PMID:22612503

  1. The importance of lone pair delocalizations: theoretical investigations on the stability of cis and trans isomers in 1,2-halodiazenes.

    PubMed

    Yamamoto, Takashi; Kaneno, Daisuke; Tomoda, Shuji

    2008-07-18

    The relative and thermodynamic stabilities of cis and trans isomers of 1,2-dihalodiazenes (XN=NX; X = F, Cl, or Br) were examined using high level ab initio and density functional theory (DFT) calculations. For 1,2-dihalodiazenes, it was found that the cis isomers were more stable than the corresponding trans isomers, despite the existence of several cis destabilizing mechanisms, such as steric exchange between halogen lone pairs and dipole-dipole electrostatic repulsions (Delta(trans-cis) = 3.15, 7.04, and 8.19 kcal mol(-1), respectively, at BP86/6-311++G(3df,3pd)//B3LYP /6-311++G(3df,3pd) level). Their origin of the cis-preferred difference in energy was investigated with natural bond orbital (NBO) analysis to show that the "cis effect" came mainly from antiperiplanar interactions (AP effect) between the nitrogen lone pair and the neighboring antibonding orbital of the N-X bond (n(N) --> sigma(N'X'*)). The delocalization of halogen lone-pair into the antibonding orbital of the N=N bonds (the LP effects) was also found to enhance the cis preference by 1.20 to 6.58 kcal mol(-1), depending on the substituted halogen atom. The total amount of the AP effect increased as the halogen atom became larger, and the increased AP effect promoted the triple-bond-like nature of the N=N bond (shorter N=N bond length and wider NNX angle). The greater AP effect also made the N'-X' bond easier to cleave (longer N-X bond length), and a higher energy level than that of the nitrogen lone pair was found in the N-Br bonding orbital in 1,2-dibromodiazenes, thus indicating the significant instability of this molecule. The degradability of the N-Cl bond in 1,2-dichlorodiazenes and the fair stability of the N-F bond in 1,2-fluorodiazenes were also confirmed theoretically, and were found to be consistent with the previous experimental and theoretical reports. These results clearly indicate the dominance of lone-pair-related hyperconjugations on the basic electronic structure and energetic

  2. Probing the Lone Pair···π-Hole Interaction in Perfluorinated Heteroaromatic Rings: The Rotational Spectrum of Pentafluoropyridine·Water.

    PubMed

    Calabrese, Camilla; Gou, Qian; Maris, Assimo; Caminati, Walther; Melandri, Sonia

    2016-04-21

    The rotational spectrum of the weakly bound complex pentafluoropyridine·water has been investigated with pulsed jet Fourier transform microwave spectroscopy. From the analysis of the rotational parameters of the parent species and of three water isotopologues, the structural arrangement of the adduct has been unambiguously established. The results show that the full ring fluorination of pyridine has a dramatic effect on its binding properties: It inverts the electron density distribution above the ring, creating a π-hole, with respect to the typical π-cloud of benzene and pyridine. In the complex the water moiety lies above the aromatic ring with the oxygen lone pairs pointing toward its center. This lone pair···π-hole interaction stabilizes the adduct, and it is more stable than the in-plane O-H···N hydrogen bond normally found in the complexes involving nitrogen heterocyclic aromatic rings. Evidence of a large amplitude motion involving the weakly bound water molecule has also been observed and discussed. PMID:27055098

  3. Lonely Butte

    NASA Technical Reports Server (NTRS)

    2005-01-01

    14 September 2005 This Mars Global Surveyor (MGS) Mars Orbiter Camera (MOC) image shows a lonely, light-toned butte composed of sedimentary rock in northern Sinus Meridiani. The dark landscape that surrounds the butte was once covered by the same rocks that make up this lonely remnant.

    Location near: 2.5oN, 4.2oW Image width: width: 3 km (1.9 mi) Illumination from: lower left Season: Northern Autumn

  4. Lonely Children.

    ERIC Educational Resources Information Center

    Bullock, Janis R.

    1993-01-01

    Lonely children experience feelings of sadness, malaise, boredom, and alienation. Loneliness has immediate and long-term consequences and may be attributed to many different causes. Teachers can learn to recognize signs of loneliness and use a variety of approaches in the classroom to help the child feel better and work through the experience.…

  5. Electron lone pair distortion facilitated metal-insulator transition in β-Pb{sub 0.33}V{sub 2}O{sub 5} nanowires

    SciTech Connect

    Wangoh, L.; Quackenbush, N. F.; Marley, P. M.; Banerjee, S.; Sallis, S.; Fischer, D. A.; Woicik, J. C.; Piper, L. F. J.

    2014-05-05

    The electronic structure of β-Pb{sub 0.33}V{sub 2}O{sub 5} nanowires has been studied with x-ray photoelectron spectroscopy techniques. The recent synthesis of defect-free β-Pb{sub 0.33}V{sub 2}O{sub 5} nanowires resulted in the discovery of an abrupt voltage-induced metal insulator transition. First principle calculations predicted an additional V-O-Pb hybridized “in-gap” state unique to this vanadium bronze playing a significant role in facilitating the transition. We confirm the existence, energetic position, and orbital character of the “in-gap” state. Moreover, we reveal that this state is a hybridized Pb 6s–O 2p antibonding lone pair state resulting from the asymmetric coordination of the Pb{sup 2+} ions.

  6. Hyperconjugation with lone pair of morpholine nitrogen stabilizes transition state for phenyl hydroxylation in CYP3A4 metabolism of ( S)- N-[1-(3-morpholin-4-yl phenyl) ethyl]-3-phenylacrylamide

    NASA Astrophysics Data System (ADS)

    Shaikh, Abdul Rajjak; Broclawik, Ewa; Ismael, Mohamed; Tsuboi, Hideyuki; Koyama, Michihisa; Kubo, Momoji; Del Carpio, Carlos A.; Miyamoto, Akira

    2006-02-01

    Using quantum chemical modelling we describe a novel effect in the mechanism of CYP3A4 metabolism for the arene substrate with o-substituent yielding a lone pair donation to conjugate π system; this will compensate for the loss of aromaticity on formation of the tetrahedral complex and lower the rate-determining energy barrier.

  7. Defect properties of Sb- and Bi-doped CuInSe{sub 2}: The effect of the deep lone-pair s states

    SciTech Connect

    Park, Ji-Sang; Yang, Ji-Hui; Ramanathan, Kannan; Wei, Su-Huai

    2014-12-15

    Bi or Sb doping has been used to make better material properties of polycrystalline Cu{sub 2}(In,Ga)Se{sub 2} as solar cell absorbers, including the experimentally observed improved electrical properties. However, the mechanism is still not clear. Using first-principles method, we investigate the stability and electronic structure of Bi- and Sb-related defects in CuInSe{sub 2} and study their effects on the doping efficiency. Contrary to previous thinking that Bi or Sb substituted on the anion site, we find that under anion-rich conditions, the impurities can substitute on cation sites and are isovalent to In because of the formation of the impurity lone pair s states. When the impurities substitute for Cu, the defects act as shallow double donors and help remove the deep In{sub Cu} level, thus resulting in the improved carrier life time. On the other hand, under anion-poor conditions, impurities at the Se site create amphoteric deep levels that are detrimental to the device performance.

  8. Defect properties of Sb- and Bi-doped CuInSe2: The effect of the deep lone-pair s states

    NASA Astrophysics Data System (ADS)

    Park, Ji-Sang; Yang, Ji-Hui; Ramanathan, Kannan; Wei, Su-Huai

    2014-12-01

    Bi or Sb doping has been used to make better material properties of polycrystalline Cu2(In,Ga)Se2 as solar cell absorbers, including the experimentally observed improved electrical properties. However, the mechanism is still not clear. Using first-principles method, we investigate the stability and electronic structure of Bi- and Sb-related defects in CuInSe2 and study their effects on the doping efficiency. Contrary to previous thinking that Bi or Sb substituted on the anion site, we find that under anion-rich conditions, the impurities can substitute on cation sites and are isovalent to In because of the formation of the impurity lone pair s states. When the impurities substitute for Cu, the defects act as shallow double donors and help remove the deep InCu level, thus resulting in the improved carrier life time. On the other hand, under anion-poor conditions, impurities at the Se site create amphoteric deep levels that are detrimental to the device performance.

  9. X-ray photoelectron spectroscopic study of trifluoromethyl isocyanide. Back-bonding, fluorine lone-pair ionization potentials, and the CF/sub 3/NC. -->. CF/sub 3/CN isomerization energy

    SciTech Connect

    Beach, D.B.; Jolly, W.L.; Lentz, D.

    1985-06-05

    Core binding energy data for CF/sub 3/NC, Cr(CO)/sub 5/CNCF/sub 3/, and W(CO)/sub 5/CNCF/sub 3/ indicate that CF/sub 3/NC is a very strong ..pi..-acceptor ligand, practically as strong as CO. The core and fluorine lone-pair valence ionization potentials of CF/sub 3/NC and CF/sub 3/CN show that the net interaction of the fluorine lone-pair orbitals with other orbitals in these molecules is zero. The core data for CF/sub 3/NC and CF/sub 3/CN, when interpreted with the equivalent cores approximation, lead to a CF/sub 3/NC ..-->.. CF/sub 3/CN isomerization energy of -23 kcal mol/sup -1/.

  10. Competition of C(sp²)-X···O halogen bonding and lone pair···π interactions: cryospectroscopic study of the complexes of C₂F₃X (X = F, Cl, Br, and I) and dimethyl ether.

    PubMed

    Geboes, Yannick; Nagels, Nick; Pinter, Balazs; De Proft, Frank; Herrebout, Wouter A

    2015-03-19

    Inspection of the electrostatic potential of C2F3X (X = F, Cl, Br, and I) revealed a second electropositive region in the immediate vicinity of the C═C double bond apart from the σ hole of chlorine, bromine, and iodine, leading to C(sp(2))-X···Y halogen bonding, through which complexes stabilized by so-called lone pair···π interactions can be formed. Consequently, the experimental studies for the complexes of dimethyl ether with C2F3X (X = F, Cl, Br, and I) not only allowed one to experimentally characterize and rationalize the effects of hybridization on halogen bonding but, for the first time, also allowed the competition of C-X···Y halogen bonding and lone pair···π interactions to be studied at thermodynamic equilibrium. Analysis of the infrared and Raman spectra reveals that in the cryosolutions of dimethyl ether and C2F3I, solely the halogen-bonded complex is present, whereas C2F3Br and C2F3Cl give rise to a lone pair···π bonded complex as well as a halogen-bonded complex. Mixtures of dimethyl ether with C2F4 solely yield a lone pair···π bonded complex. The experimentally derived complexation enthalpies for the halogen bonded complexes are found to be -14.2(5) kJ mol(-1) for C2F3I·DME and -9.3(5) kJ mol(-1) for C2F3Br·DME. For the complexes of C2F3Cl with dimethyl ether, no experimental complexation enthalpy could be obtained, whereas the C2F4·DME complex has a complexation enthalpy of -5.5(3) kJ mol(-1). The observed trends have been rationalized with the aid of an interaction energy decomposition analysis (EDA) coupled to a Natural Orbital for Chemical Valence (NOCV) analysis and also using the noncovalent interaction index method. PMID:25390877

  11. Lone electron pair (E) role on the crystal structures and the mechanism of high ionic conductivity of PbSnF4E2. Stereochemical and ab initio investigations

    NASA Astrophysics Data System (ADS)

    Matar, Samir F.; Galy, Jean

    2016-02-01

    The F- anion mobility of archetype fast ionic conductor PbSnF4 formerly investigated by neutron diffraction with temperature is revisited based on a joint stereochemical and DFT investigation. It is mainly shown that a rapid exchange between F anions at the different tetragonal lattice sites is enhanced within the polyhedra enclosing the lone pair E in a dynamic change of coordination from octahedral to square pyramidal as for Sn(II). E stereoactivity in the interspaces along c direction is illustrated by the electron localization function ELF isosurface representations and followed by the non linear change of the c lattice constant with temperature.

  12. Lonely killers

    PubMed Central

    2011-01-01

    The majority of the most effective monoclonal antibodies (mAbs) currently in the clinics bind to cancer or immune cells. Classic mechanisms of cell killing by therapeutic mAbs include antibody-dependent cell-mediated cytotoxicity, complement-dependent cytotoxicity and induction of apoptosis by engagement of specific cell ligands. A few reports have described mAbs whose cytotoxic activity is Fc-independent and that do not induce the morphological and biochemical changes associated with the apoptosis-type of cell death. Even fewer works describe mAbs able to directly induce membrane lesions. Here, we discuss the available data on those molecules and their cell killing activity, with particular attention to the case of a mAb specific for the tumor-associated N-glycolyl (Neu5Gc)-GM3 ganglioside [GM3(Neu5Gc)]. Some similarities are found in the cell death pathways triggered by these mAbs, but data are not abundant. We conclude that the usefulness of mAbs with a direct cytotoxic activity for immunotherapeutic strategies deserves deeper research. PMID:22123064

  13. Paired inhibitory and activating receptor signals.

    PubMed

    Taylor, L S; Paul, S P; McVicar, D W

    2000-01-01

    The immunological literature has become inundated with reports regarding paired inhibitory receptors. Paired inhibitory receptor systems are highly conserved families that contain receptors involved in either cellular inhibition or activation. In most cases the paired putative biochemical antagonists are co-expressed on a given cell and thought to bind similar, if not identical, ligands making their biological role difficult to understand. Examples of these systems include immunoglobulin (Ig)-like receptors (Killer Ig Receptors, Immunoglobulin-like Transcripts/Leukocyte Ig-like Receptors/Monocyte Macrophage Ig Receptors, and Paired Ig-like Receptors), and type II lectin-like receptor systems (NKG2 and Ly49). General characteristics of these inhibitory receptors include a cytoplasmic immunoreceptor tyrosine-based inhibitory motif (ITIM). The ITIM is phosphorylated upon engagement and recruits protein tyrosine phosphatases that dephosphorylate cellular substrates that would otherwise mediate activation. In contrast, the activating receptors of these pairs use charged residues within their transmembrane domains to associate with various signal transduction chains including the gamma chain of the receptor for the Fc portion of IgE, DAP12 or DAP10. Once phosphorylated, these chains direct the signal transduction cascade resulting in cellular activation. Here we review the signaling of several paired systems and present the current models for their signal transduction cascades. PMID:11258418

  14. Using (FH)2 and (FH)3 to Bridge the σ-Hole and the Lone Pair at P in Complexes with H2 XP, for X=CH3 , OH, H, CCH, F, Cl, NC, and CN.

    PubMed

    Del Bene, Janet E; Alkorta, Ibon; Elguero, José

    2016-05-18

    Ab initio MP2/aug'-cc-pVTZ calculations are used to investigate the binary complexes H2 XP:HF, the ternary complexes H2 XP:(FH)2 , and the quaternary complexes H2 XP:(FH)3 , for X=CH3 , OH, H, CCH, F, Cl, NC, and CN. Hydrogen-bonded (HB) binary complexes are formed between all H2 XP molecules and FH, but only H2 FP, H2 ClP, and H2 (NC)P form pnicogen-bonded (ZB) complexes with FH. Ternary complexes with (FH)2 are stabilized by F-H⋅⋅⋅P and F-H⋅⋅⋅F hydrogen bonds and F⋅⋅⋅P pnicogen bonds, except for H2 (CH3 )P:(FH)2 and H3 P:(FH)2 , which do not have pnicogen bonds. All quaternary complexes H2 XP:(FH)3 are stabilized by both F-H⋅⋅⋅P and F-H⋅⋅⋅F hydrogen bonds and P⋅⋅⋅F pnicogen bonds. Thus, (FH)2 with two exceptions, and (FH)3 can bridge the σ-hole and the lone pair at P in these complexes. The binding energies of H2 XP:(FH)3 complexes are significantly greater than the binding energies of H2 XP:(FH)2 complexes, and nonadditivities are synergistic in both series. Charge transfer occurs across all intermolecular bonds from the lone-pair donor atom to an antibonding σ* orbital of the acceptor molecule, and stabilizes these complexes. Charge-transfer energies across the pnicogen bond correlate with the intermolecular P-F distance, while charge-transfer energies across F-H⋅⋅⋅P and F-H⋅⋅⋅F hydrogen bonds correlate with the distance between the lone-pair donor atom and the hydrogen-bonded H atom. In binary and quaternary complexes, charge transfer energies also correlate with the distance between the electron-donor atom and the hydrogen-bonded F atom. EOM-CCSD spin-spin coupling constants (2h) J(F-P) across F-H⋅⋅⋅P hydrogen bonds, and (1p) J(P-F) across pnicogen bonds in binary, ternary, and quaternary complexes exhibit strong correlations with the corresponding intermolecular distances. Hydrogen bonds are better transmitters of F-P coupling data than pnicogen bonds, despite the longer F⋅⋅⋅P distances in F

  15. Expanding Lone Pair···π Interactions to Nonaromatic Systems and Nitrogen Bases: Complexes of C2F3X (X = F, Cl, Br, I) and TMA-d9.

    PubMed

    Geboes, Yannick; De Proft, Frank; Herrebout, Wouter A

    2015-06-01

    The molecular electrostatic potential surface of unsaturated, locally electron-deficient molecules shows a positive region perpendicular to (a part of) the molecular framework. In recent years it has been shown both theoretically and experimentally that molecules are able to form noncovalent interactions with Lewis bases through this π-hole. When studying unsaturated perfluorohalogenated molecules containing a higher halogen atom, a second electropositive region is also observed near the halogen atom. This region, often denoted as a σ-hole, allows the molecules to interact with Lewis bases and form a halogen bond. To experimentally characterize the competition between both these noncovalent interactions, Fourier transform infrared and Raman spectra of liquefied noble gas solutions containing perfluorohalogenated ethylene derivatives (C2F3X; X = F, Cl, Br, or I) and trimethylamine(-d9) were investigated. Analysis of the spectra shows that in mixed solutions of trimethylamine(-d9) and C2F4 or C2F3Cl lone pair···π complex is present, while evidence for halogen-bonded complex is found in solutions containing trimethylamine(-d9) and C2F3Cl, C2F3Br, or C2F3I. For all species observed, complexation enthalpies were determined, the values varying between -4.9(1) and -24.4 kJ mol(-1). PMID:25924188

  16. The Lone Loop Radiative Corrections to W Pair Production in Electron Positron Annihilation in the Supersymmetric Extension of the Salam-Weinberg Model of the Electroweak Interactions.

    NASA Astrophysics Data System (ADS)

    Alam, S.

    1992-01-01

    The one loop radiative corrections to W pair production in e^+e^- annihilation in the supersymmetric extension of the Salam-Weinberg (SW) model of the electroweak interactions are calculated. Since our model contains the SW theory, and several calculations have been reported on the latter we compare these results with ours. In general agreement is found, a detailed comparison is not possible since the explicit details have not been published. However we have cross checked many of SW model results with Sundaresan and Kalyniak who have performed the calculation using the same renormalization scheme as ours. The virtual corrections are determined in the on-mass-shell renormalization scheme (OMRS) of Sakakibara. The OMRS scheme has several advantages, one being that it is a transparent (i.e. in terms of the physics) renormalization procedure. Moreover the fundamental set of input parameters of OMRS is well determined. By this we mean the accurate determination of the Z-boson mass at LEP I and the expected precise measurement of the W mass at LEP II, and the already well determined alpha value constitute a good set of the fundamental input parameters. Of course the Higgs boson mass and the fermion mass have also to be put in. So far the top quark and the Higgs boson have eluded detection and consequently their masses have to be put in as free parameters. One very important feature in determining how good the standard model (SM) is involves the measurement of the tri-boson coupling. Such a coupling occurs in e^+e^- to W^+W ^- in the SM, at the tree level. For a precision check, one must calculate one loop radiative corrections in SM, using the tri-boson coupling. We have also evaluated W pair production with non standard coupling to get an intuitive feel for deviations away from the SM. Supersymmetry has the effect of reducing the virtual corrections. The effect of supersymmetry is examined on the differential cross section of e^+e^- to W^+W^-, the 'A' term, the magnetic

  17. Influence of the Bi3+ electron lone pair in the evolution of the crystal and magnetic structure of La(1-x)Bi(x)Mn2O5 oxides.

    PubMed

    Retuerto, M; Muñoz, A; Martínez-Lope, M J; Garcia-Hernandez, M; André, G; Krezhov, K; Alonso, J A

    2013-05-29

    La(1-x)Bi(x)Mn2O5 (x = 0, 0.2, 0.4, 0.6, 0.8 and 1) oxides are members of the RMn2O5 family. The entire series has been prepared in polycrystalline form by a citrate technique. The evolution of their magnetic and crystallographic structures has been investigated by neutron powder diffraction (NPD) and magnetization measurements. All the samples crystallize in an orthorhombic structure with space group Pbam containing infinite chains of Mn(4+)O6 octahedra sharing edges, linked together by Mn(3+)O5 pyramids and (La/Bi)O8 units. These units become strongly distorted as the amount of Bi increases, due to the electron lone pair of Bi(3+). All the members of the series are magnetically ordered below TN = 25-40 K and they present different magnetic structures. For the samples with low Bi content (x = 0.2 and 0.4) the magnetic structure is characterized by the propagation vector k = (0,0,1/2). The magnetic moments of the Mn(4+) ions placed at octahedral sites are ordered according to the basis vectors (Gx, Ay, 0) whereas the Mn(3+) moments, located at pyramidal sites, are ordered according to the basis vectors (0, 0, Cz). When the content of Bi increases, two different propagation vectors are needed to explain the magnetic structure: k1 = (0,0,1/2) and k2 = (1/2,0,1/2). For x = 0.6 and 0.8, k2 is predominant over k1 and for this propagation vector (k2) the magnetic arrangement is defined by the basis vectors (Gx, Ay,0) and (Fx, Cy, 0) for Mn(4+) and Mn(3+) ions, respectively. PMID:23628956

  18. A comparison of health behaviours in lonely and non-lonely populations.

    PubMed

    Lauder, William; Mummery, Kerry; Jones, Martyn; Caperchione, Cristina

    2006-05-01

    Loneliness can be defined as perceived social isolation and appears to be a relatively common experience in adults. It carries a significant health risk and has been associated with heart disease, depression and poor recovery after coronary heart surgery. The mechanisms that link loneliness and morbidity are unclear but one of the mechanisms may be through poor health beliefs and behaviours. The aims of this cross-sectional survey of 1289 adults were to investigate differences in health behaviours (smoking, overweight, BMI, sedentary, attitudes towards physical activity) in lonely and non-lonely groups. Lonely individuals were more likely to be smokers and more likely to be overweight - obese. The lonely group had higher body mass index scores controlling for age, annual income, gender, employment and marital status. Logistic regression revealed no differences in sedentary lifestyles. Lonely individuals were significantly less likely to believe it was desirable for them to lose weight by walking for recreation, leisure or transportation. The findings provide support for an association between health behaviours, loneliness and excess morbidity reported in previous studies. PMID:17129911

  19. Locating the Place and Meaning of Physical Activity in the Lives of Young People from Low-Income, Lone-Parent Families

    ERIC Educational Resources Information Center

    Quarmby, Thomas; Dagkas, Symeon

    2013-01-01

    Background: In the United Kingdom (UK), it is predicted that economic cuts and a subsequent increase in child poverty will affect those already on the lowest incomes and, in particular, those living in lone-parent families. As a result, the informal pedagogic encounters within the family that contribute to the development of physical…

  20. Lone Mountain processing boosts recovery

    SciTech Connect

    Baumgarth, T.; Bethell, P.; Gupta, B.K.

    2005-08-01

    A new deslime column flotation circuit installed at Arch Coal's Lone Mountain preparation plant in St. Charles, Va., USA recovers an additional 20 tph. The article describes how this column technology was selected. It explains the circuit design, start-up and post upgrade distant testing. 4 figs., 4 tabs.

  1. Lone motherhood in Zimbabwe: the socioeconomic conditions of lone parents and their children.

    PubMed

    Moyo, Otrude N; Kawewe, Saliwe M

    2009-01-01

    This paper explores the nature and characteristics of lone motherhood in Zimbabwe. We argue that endogenous and exogenous forces associated with failing economies and gendered public policy structures, practices, and initiatives exacerbated by HIV/AIDS and intermittent droughts have worsened national poverty with much more devastation experienced by lone mothers and their children. Using vignettes of lone parents drawn from Zimbabwe, this paper extends the perspectives on lone motherhood to show the extent of poverty experienced by lone mothers as well as the varied formations and structures of lone parenthood. The vignettes highlight the socioeconomic concerns for these families regarding inadequate income, lack of access to employment, lack of housing, and problematic governmental policies that affect the well-being of lone mothers and their families. We conclude with a discussion of the role of social policy in managing the context in which lone mothers and their families must live and function. PMID:19229781

  2. Work-up and management of lone atrial fibrillation: results of the European Heart Rhythm Association Survey.

    PubMed

    Pison, Laurent; Hocini, Mélèze; Potpara, Tatjana S; Todd, Derick; Chen, Jian; Blomström-Lundqvist, Carina

    2014-10-01

    The purpose of this European Heart Rhythm Association (EHRA) survey was to explore the work-up and management of lone atrial fibrillation (AF) among the European centres. Thirty-two European centres, all members of the EHRA electrophysiology (EP) research network, responded to this survey and completed the list of questions. The prevalence of lone AF has been reported to be ≤10% by 19 (60%) of the participating centres. The presence of isolated left atrial enlargement and left ventricular diastolic dysfunction represent heart disease according to 50 and 84% of the centres, respectively, and exclude the diagnosis of lone AF. Fifty-nine per cent of responders do not routinely consider genetic testing in lone AF patients. The initial therapeutic approach in symptomatic paroxysmal lone AF is antiarrhythmic drug therapy as reported by 31 (97%) of the centres. Pulmonary vein isolation only is the first ablation strategy for patients with symptomatic persistent lone AF at 27 (84%) of the responding centres. Assessment for sleep apnoea, obesity, and intensive sports activity in lone AF is performed at 27 (84%) centres. In conclusion, this EP Wire survey confirms that the term 'lone AF' is still used in daily practice. The work-up typically includes screening for known risk factors but not genetic testing. The preferred management of paroxysmal lone AF is rhythm control with antiarrhythmic drugs, whereas pulmonary vein isolation is the first ablation strategy for the majority of patients with symptomatic persistent lone AF. PMID:25267359

  3. Pair interaction of catalytically active colloids: from assembly to escape

    NASA Astrophysics Data System (ADS)

    Sharifi-Mood, Nima; Mozaffari, Ali; Córdova-Figueroa, Ubaldo M.

    2016-07-01

    The dynamics and pair trajectory of two self-propelled colloids are reported. The autonomous motions of the colloids are due to a catalytic chemical reaction taking place asymmetrically on their surfaces that generates a concentration gradient of interactive solutes around the particles and actuate particle propulsion. We consider two spherical particles with symmetric catalytic caps extending over the local polar angles $\\theta^1_{cap}$ and $\\theta^2_{cap}$ from the centers of active sectors in an otherwise quiescent fluid. A combined analytical-numerical technique was developed to solve the coupled mass transfer equation and the hydrodynamics in the Stokes flow regime. The ensuing pair trajectory of the colloids is controlled by the reacting coverages $\\theta^j_{cap}$ and their initial relative orientation with respect to each other. Our analysis indicates two possible scenarios for pair trajectories of catalytic self-propelled particles: either the particles approach, come into contact and assemble or they interact and move away from each other (escape). For arbitrary motions of the colloids, it is found that the direction of particle rotations is the key factor in determining the escape or assembly scenario. Based on the analysis, a phase diagram is sketched for the pair trajectory of the catalytically active particles as a function of active coverages and their initial relative orientations. We believe this study has important implications in elucidation of collective behaviors of auotophoretically self-propelled colloids.

  4. Paired galaxies with different activity levels and their supernovae

    NASA Astrophysics Data System (ADS)

    Nazaryan, T. A.; Petrosian, A. R.; Hakobyan, A. A.; Adibekyan, V. Z.; Kunth, D.; Mamon, G. A.; Turatto, M.; Aramyan, L. S.

    2013-10-01

    We investigate the influence of close neighbor galaxies on the properties of supernovae (SNe) and their host galaxies using 56 SNe located in pairs of galaxies with different levels of star formation (SF) and nuclear activity. The statistical study of SN hosts shows that there is no significant difference between morphologies of hosts in our sample and the larger general sample of SN hosts in the Sloan Digital Sky Survey (SDSS) Data Release 8 (DR8). The mean distance of type II SNe from nuclei of hosts is greater by about a factor of 2 than that of type Ibc SNe. The distributions and mean distances of SNe are consistent with previous results compiled with the larger sample. For the first time it is shown that SNe Ibc are located in pairs with significantly smaller difference of radial velocities between components than pairs containing SNe Ia and II. We consider this as a result of higher star formation rate (SFR) of these closer systems of galaxies. SN types are not correlated with the luminosity ratio of host and neighbor galaxies in pairs. The orientation of SNe with respect to the preferred direction toward neighbor galaxy is found to be isotropic and independent of kinematical properties of the galaxy pair.

  5. Synthesis and biological activity of enantiomeric pairs of phosphosulfonate herbicides.

    PubMed

    Spangler, L A; Mikolajczyk, M; Burdge, E L; Kielbasiński, P; Smith, H C; Lyzwa, P; Fisher, J D; Omelańczuk, J

    1999-01-01

    The phosphosulfonates are a new class of soil-active herbicides which control a variety of annual grass and broadleaf weeds. Chirality at the phosphorus atom afforded the opportunity to explore stereospecific requirements for herbicidal activity. Chiral (hydroxymethyl)phosphinate intermediates were enzymatically resolved (Pseudomonas fluorescens lipase) from the racemic mixtures and then used to prepare two pairs of enantiomeric phosphosulfonates. Biological testing of the enantiomeric phosphosulfonate herbicides demonstrated that, in each case, the herbicidal activity was attributed to the (+) enantiomer and that the (+) enantiomer is more active than the racemate. PMID:10563892

  6. Lone atrial fibrillation: does it exist?

    PubMed

    Wyse, D George; Van Gelder, Isabelle C; Ellinor, Patrick T; Go, Alan S; Kalman, Jonathan M; Narayan, Sanjiv M; Nattel, Stanley; Schotten, Ulrich; Rienstra, Michiel

    2014-05-01

    The historical origin of the term "lone atrial fibrillation" (AF) predates by 60 years our current understanding of the pathophysiology of AF, the multitude of known etiologies for AF, and our ability to image and diagnose heart disease. The term was meant to indicate AF in patients for whom subsequent investigations could not demonstrate heart disease, but for many practitioners has become synonymous with "idiopathic AF." As the list of heart diseases has expanded and diagnostic techniques have improved, the prevalence of lone AF has fallen. The legacy of the intervening years is that definitions of lone AF in the literature are inconsistent so that studies of lone AF are not comparable. Guidelines provide a vague definition of lone AF but do not provide direction about how much or what kind of imaging and other testing are necessary to exclude heart disease. There has been an explosion in the understanding of the pathophysiology of AF in the last 20 years in particular. Nevertheless, there are no apparently unique mechanisms for AF in patients categorized as having lone AF. In addition, the term "lone AF" is not invariably useful in making treatment decisions, and other tools for doing so have been more thoroughly and carefully validated. It is, therefore, recommended that use of the term "lone AF" be avoided. PMID:24530673

  7. Influence of 6s{sup 2} lone pair electrons of Bi{sup 3+} on its preferential site occupancy in fluorapatite, NaCa{sub 3}Bi(PO{sub 4}){sub 3}F – An insight from Eu{sup 3+} luminescent probe

    SciTech Connect

    Lakshminarasimhan, N. Varadaraju, U.V.

    2014-12-15

    Graphical abstract: Eu{sup 3+} structural probe – difference in Eu{sup 3+} PL emission in (a) NaCa{sub 3}Bi{sub 0.95}Eu{sub 0.05}(PO{sub 4}){sub 3}F and (b) NaCa{sub 3}La{sub 0.95}Eu{sub 0.05}(PO{sub 4}){sub 3}F suggests Bi{sup 3+} with preferential site occupancy at M(II) site directing Eu{sup 3+} to M(I) site. - Highlights: • Eu{sup 3+} luminescent probe used for establishing the role of 6s{sup 2} lone pair electrons of Bi{sup 3+} in fluorapatite. • Difference in Eu{sup 3+} PL emission spectral features in NaCa{sub 3}Bi{sub 0.95}Eu{sub 0.05}(PO{sub 4}){sub 3}F and NaCa{sub 3}La{sub 0.95}Eu{sub 0.05}(PO{sub 4}){sub 3}F. • Preferential site occupancy of Bi{sup 3+} in M(II) site directs Eu{sup 3+} to M(I) site in NaCa{sub 3}Bi{sub 0.95}Eu{sub 0.05}(PO{sub 4}){sub 3}F. - Abstract: Eu{sup 3+} luminescence was used as a structural probe in understanding the preferential site occupancy of lone pair cation, Bi{sup 3+}, in fluorapatite by comparing the photoluminescence (PL) emission spectral features with that of in analogous La{sup 3+} based fluorapatite. The fluorapatites, NaCa{sub 3}Bi{sub 0.95}Eu{sub 0.05}(PO{sub 4}){sub 3}F and NaCa{sub 3}La{sub 0.95}Eu{sub 0.05}(PO{sub 4}){sub 3}F, were synthesized by conventional high temperature solid state reaction method and characterized by powder X-ray diffraction (XRD) and FT-IR spectroscopy. The Eu{sup 3+} PL results revealed a difference in the emission spectral features in NaCa{sub 3}Bi{sub 0.95}Eu{sub 0.05}(PO{sub 4}){sub 3}F and NaCa{sub 3}La{sub 0.95}Eu{sub 0.05}(PO{sub 4}){sub 3}F. This difference in Eu{sup 3+} PL emission can be attributed to the difference in its site occupancy in the studied fluorapatites.

  8. Bombing alone: tracing the motivations and antecedent behaviors of lone-actor terrorists,.

    PubMed

    Gill, Paul; Horgan, John; Deckert, Paige

    2014-03-01

    This article analyzes the sociodemographic network characteristics and antecedent behaviors of 119 lone-actor terrorists. This marks a departure from existing analyses by largely focusing upon behavioral aspects of each offender. This article also examines whether lone-actor terrorists differ based on their ideologies or network connectivity. The analysis leads to seven conclusions. There was no uniform profile identified. In the time leading up to most lone-actor terrorist events, other people generally knew about the offender's grievance, extremist ideology, views, and/or intent to engage in violence. A wide range of activities and experiences preceded lone actors' plots or events. Many but not all lone-actor terrorists were socially isolated. Lone-actor terrorists regularly engaged in a detectable and observable range of activities with a wider pressure group, social movement, or terrorist organization. Lone-actor terrorist events were rarely sudden and impulsive. There were distinguishable behavioral differences between subgroups. The implications for policy conclude this article. PMID:24313297

  9. Bombing Alone: Tracing the Motivations and Antecedent Behaviors of Lone-Actor Terrorists*,†,‡

    PubMed Central

    Gill, Paul; Horgan, John; Deckert, Paige

    2014-01-01

    This article analyzes the sociodemographic network characteristics and antecedent behaviors of 119 lone-actor terrorists. This marks a departure from existing analyses by largely focusing upon behavioral aspects of each offender. This article also examines whether lone-actor terrorists differ based on their ideologies or network connectivity. The analysis leads to seven conclusions. There was no uniform profile identified. In the time leading up to most lone-actor terrorist events, other people generally knew about the offender’s grievance, extremist ideology, views, and/or intent to engage in violence. A wide range of activities and experiences preceded lone actors’ plots or events. Many but not all lone-actor terrorists were socially isolated. Lone-actor terrorists regularly engaged in a detectable and observable range of activities with a wider pressure group, social movement, or terrorist organization. Lone-actor terrorist events were rarely sudden and impulsive. There were distinguishable behavioral differences between subgroups. The implications for policy conclude this article. PMID:24313297

  10. Pair Plasmas in the Central Engine of Active Galactic Nuclei

    NASA Technical Reports Server (NTRS)

    Tsuruta, S.; Tritz, B. G.

    1993-01-01

    As the most promising model for the X-ray emission from a class of Active Galactic Nuclei (AGNs) represented by radio-quiet quasars and Seyfert nuclei, here we introduce the non-thermal pair cascade model, where soft photons are Comptonized by non-thermal electron-positron pair plasmas produced by (gamma)-rays. After summarizing the simplest model of this kind, the "homogeneous spherical cascade model", our most recent work on the "surface cascade model" is presented, where a geometrical effect is introduced. Many characteristics of this model are qualitatively similar to the homogeneous cascade model. However, an important difference is that (gamma)-ray depletion is much more efficient in the surface cascade, and consequently this model naturally satisfies the severe observational constraint imposed by the (gamma)-ray background radiation.

  11. State Regulation, Family Breakdown, and Lone Motherhood

    PubMed Central

    Meek, Jeff

    2014-01-01

    Using a range of parish records, records from the Registrar General of Scotland, charity organizations, and media reports, this article contributes to the historiography which evaluates the effects of World War I in Britain as well as the history of lone mothers and their children. It highlights how during the war, women, especially lone mothers, made significant gains through the welfare system, changing approaches to illegitimacy and the plentiful nature of women’s work but also how in doing so this brought them under greater surveillance by the state, local parishes, and charity organizations. Moreover, as this article will demonstrate, many of the gains made by women were short-lived and in fact the war contributed to high levels of family breakdown and gendered and intergenerational poverty endured by lone mothers and their children. PMID:26538794

  12. Lone, Mobile Left Atrial Hydatid Cyst

    PubMed Central

    Ugurlu, Mehmet; Baktir, Ahmet Oguz; Tekin, Ali Ihsan; Tok, Ahmet; Yagmur, Bayram

    2016-01-01

    Echinococcosis is endemic in various regions of Turkey. Cardiac involvement in echinococcosis is rare, and lone cardiac hydatid cysts are even more unusual. Because cardiac hydatid disease can be fatal, even asymptomatic patients are optimally referred for surgical treatment. We present a rare case of a lone, primary, mobile hydatid cyst in the left atrium of a 62-year-old woman. The cyst caused dyspnea from left ventricular inflow obstruction. In addition to reporting the patient's fatal case, we discuss cardiac hydatid cysts in terms of the scant medical literature. PMID:27303247

  13. Using the PAIR-up Model to Evaluate Active Learning Spaces

    ERIC Educational Resources Information Center

    Whiteside, Aimee L.; Jorn, Linda; Duin, Ann Hill; Fitzgerald, Steve

    2009-01-01

    This article presents a study on using the PAIR-up model to evaluate active learning spaces. The PAIR-up model takes advantage of interdisciplinary partnerships, assessment, innovation, and reevaluation of current views to support learning space design. Using PAIR-up, the University of Minnesota designed, constructed, and assessed two pilot Active…

  14. The pursuit of happiness can be lonely.

    PubMed

    Mauss, Iris B; Savino, Nicole S; Anderson, Craig L; Weisbuch, Max; Tamir, Maya; Laudenslager, Mark L

    2012-10-01

    Few things seem more natural and functional than wanting to be happy. We suggest that, counter to this intuition, valuing happiness may have some surprising negative consequences. Specifically, because striving for personal gains can damage connections with others and because happiness is usually defined in terms of personal positive feelings (a personal gain) in western contexts, striving for happiness might damage people's connections with others and make them lonely. In 2 studies, we provide support for this hypothesis. Study 1 suggests that the more people value happiness, the lonelier they feel on a daily basis (assessed over 2 weeks with diaries). Study 2 provides an experimental manipulation of valuing happiness and demonstrates that inducing people to value happiness leads to relatively greater loneliness, as measured by self-reports and a hormonal index (progesterone). In each study, key potential confounds, such as positive and negative affect, were ruled out. These findings suggest that wanting to be happy can make people lonely. PMID:21910542

  15. Numerical Analysis on Adsorption Characteristics of Activated Carbon/Ethanol Pair in Finned Tube Type Adsorber

    NASA Astrophysics Data System (ADS)

    Makimoto, Naoya; Kariya, Keishi; Koyama, Shigeru

    The cycle performance of adsorption cooling system depends on the thermophysical properties of the adsorbent/refrigerant pair and configuration of the adsorber/desorber heat exchanger. In this study, a twodimensional analysis is carried out in order to clarify the performance of the finned tube type adsorber/desorber heat exchanger using a highly porous activated carbon powder (ACP)/ethanol pair. The simulation results show that the average cooling capacity per unit volume of adsorber/desorber heat exchanger and coefficient of performance (COP) can be improved by optimizing fin thickness, fin height, fin pitch and tube diameter. The performance of a single stage adsorption cooling system using ACP/ethanol pair is also compared with that of activated carbon fiber (ACF)/ethanol pair. It is found that the cooling capacities of each adsorbent/refrigerant pair increase with the decrease of adsorption/desorption time and the cooling capacity of ACP/ethanol pair is approximately 2.5 times as much as that of ACF/ethanol pair. It is also shown that COP of ACP/ethanol pair is superior to that of ACF/ethanol pair.

  16. Fundamental aspects of recoupled pair bonds. I. Recoupled pair bonds in carbon and sulfur monofluoride

    SciTech Connect

    Dunning, Thom H. Xu, Lu T.; Takeshita, Tyler Y.

    2015-01-21

    The number of singly occupied orbitals in the ground-state atomic configuration of an element defines its nominal valence. For carbon and sulfur, with two singly occupied orbitals in their {sup 3}P ground states, the nominal valence is two. However, in both cases, it is possible to form more bonds than indicated by the nominal valence—up to four bonds for carbon and six bonds for sulfur. In carbon, the electrons in the 2s lone pair can participate in bonding, and in sulfur the electrons in both the 3p and 3s lone pairs can participate. Carbon 2s and sulfur 3p recoupled pair bonds are the basis for the tetravalence of carbon and sulfur, and 3s recoupled pair bonds enable sulfur to be hexavalent. In this paper, we report generalized valence bond as well as more accurate calculations on the a{sup 4}Σ{sup −} states of CF and SF, which are archetypal examples of molecules that possess recoupled pair bonds. These calculations provide insights into the fundamental nature of recoupled pair bonds and illustrate the key differences between recoupled pair bonds formed with the 2s lone pair of carbon, as a representative of the early p-block elements, and recoupled pair bonds formed with the 3p lone pair of sulfur, as a representative of the late p-block elements.

  17. The violent true believer as a "lone wolf" - psychoanalytic perspectives on terrorism.

    PubMed

    Reid Meloy, J; Yakeley, Jessica

    2014-01-01

    The existing research on lone wolf terrorists and case experience are reviewed and interpreted through the lens of psychoanalytic theory. A number of characteristics of the lone wolf are enumerated: a personal grievance and moral outrage; the framing of an ideology; failure to affiliate with an extremist group; dependence on a virtual community found on the Internet; the thwarting of occupational goals; radicalization fueled by changes in thinking and emotion - including cognitive rigidity, clandestine excitement, contempt, and disgust - regardless of the particular ideology; the failure of sexual pair bonding and the sexualization of violence; the nexus of psychopathology and ideology; greater creativity and innovation than terrorist groups; and predatory violence sanctioned by moral (superego) authority. A concluding psychoanalytic formulation is offered. PMID:24700336

  18. Identification of orthologous target pairs with shared active compounds and comparison of organism-specific activity patterns.

    PubMed

    Dimova, Dilyana; Stumpfe, Dagmar; Bajorath, Jürgen

    2015-11-01

    A systematic search for active small molecules shared by orthologous targets was carried out, leading to the identification of 803 compound-based orthologous target pairs covering a total of 938 orthologues, 358 unique targets and 98 organisms. Many orthologous target pairs were found to have substantial compound coverage, enabling the introduction of an orthologous target pairs classification including 'organism cliffs' and 'potency-retaining' pairs. A total of 158 orthologous target pairs involving human orthologues were identified, which were typically associated with drug discovery-relevant targets, organism combinations and compound data. Orthologous target pairs with human orthologues included 83 potency-retaining orthologous target pairs covering a variety of targets and organisms. On the basis of these orthologous target pairs, the compound search was further extended and 1149 potent compounds were identified that only had reported activities for non-human orthologues of 48 therapeutic targets, but not their human counterparts, hence providing a large pool of candidate compounds for further evaluation. The complete set of orthologous target pairs identified in our analysis, the orthologous target pairs classification including associated data and all candidate compounds are made freely available. PMID:25931211

  19. Sex differences in Portuguese lonely hearts advertisements.

    PubMed

    Neto, Félix

    2005-10-01

    Advertisements from "Lonely Hearts" columns in the major daily Portuguese newspaper (Jornal de Notícias) were used to test hypotheses about the mate preferences of men and women. A total of 484 advertisements were coded for demographic descriptors and offers of and appeals for attractiveness, financial security, sincerity, expressiveness, and instrumentality, e.g., intelligence and ambition. Some results supported social exchange and evolutionary predictions: men sought younger women and offered security; women sought older men with status and resources. However, other results challenged such predictions: attractiveness and expressiveness did not differ by sex. PMID:16383069

  20. Penrose pair production as a power source of quasars and active galactic nuclei. [black hole mechanisms

    NASA Technical Reports Server (NTRS)

    Kafatos, M.; Leiter, D.

    1979-01-01

    Penrose pair production in massive canonical Kerr black holes (those with a/M equal to 0.998) is proposed as a way to explain the nature of the vast fluctuating energy production associated with active galactic nuclei and quasars. It is assumed that a Kerr black hole with a mass of the order of 100 million solar masses lies at the center of an active nucleus and that an accretion disk is formed. Penrose pair production in the inner ergosphere of such a massive canonical Kerr black hole is analyzed. The results indicate that: (1) particle pairs are ejected within a 40 deg angle relative to the equator; (2) the particle energy is of the order of 1 GeV per pair; (3) the pressure of the electron-positron relativistic gas is proportional to the electron-positron number density; (4) pair production may occur in bursts; and (5) the overall lifetime of an active nucleus would depend on the time required to exhaust the disk of its matter content. A test of the theory is suggested which involves observation of the 0.5-MeV pair-annihilation gamma rays that would be generated by annihilating particle pairs.

  1. Lone Tree prospect area, Railroad Valley, Nevada

    SciTech Connect

    Montgomery, S.L.

    1997-02-01

    Continued exploration in the Basin and Range of Nevada has resulted in a number of small field discoveries that confirm widespread oil generation and suggest potential in local prospect settings. One such setting, the Lone Tree prospect area, lies approximately 6.5 mi (10.4 km) southwest of Grant Canyon field in Railroad Valley. Discovered in 1983, this field had produced nearly 20 million bbl of oil by June 1996, mostly from two wells. Oil is entrapped in a slide block of fractured Paleozoic strata juxtaposed against Mississippian source rocks along a detachment fault of probable early Tertiary age. Subsequent exploration has focused on attempts to identify such blocks elsewhere in east-central Nevada, particularly in Railroad and Pine Valleys. Well, gravity, and two-dimensional seismic data suggested the existence of such a block in the Lone Tree area. These data were used as a basis for a three-dimensional seismic survey. Information from this survey identified a prospect at the structural culmination of the interpreted block. The resulting well, the 13-14 Timber Mountain, was commercially unsuccessful but yielded important new data, suggesting a need to revise existing stratigraphy and structural history. In addition, a second prospect, located farther updip, was indicated.

  2. Castaways: addressing hostility and helplessness in severely lonely adults.

    PubMed

    Loboprabhu, Sheila; Molinari, Victor; Asghar-Ali, Ali Abbas

    2015-03-01

    Hostility and helplessness are recurrent themes in severely lonely adults, and they can be both causes and effects of subjective feelings of loneliness. Since many lonely patients report a history of abuse, hostile and helpless states of mind may reflect identification with hostile (aggressor) or helpless (passive) attachment figures. Hostile intrusiveness and helpless withdrawal by the parent are 2 distinct patterns of parent-child misattunement that can lead to infant disorganization via disrupted emotional communication and to loneliness later in life. Anxious-ambivalent lonely older adults tend to exhibit hyperactivating hostile behaviors (to deal with a core sense of powerlessness), whereas those with fearful-avoidant attachment styles exhibit deactivating helpless behaviors (to deflect intense underlying feelings of rage). Based on this model, we outline different treatment approaches for lonely persons with different attachment styles by describing the successful treatment of two severely lonely, suicidal veterans. We describe an approach to treating hostile and helpless behaviors in lonely patients, using validation, mentalization, reality orientation, and socialization. Validation provides a sense of safety and rapport. Mentalization allows the lonely individual to better appreciate his or her own mental processes and those of others. Reality orientation provides feedback to lonely individuals on whether their perceptions are accurate and reality-based and helps them appreciate the consequences their behavior may have for self and others. Finally, socialization reduces disenfranchisement by teaching/re-teaching individuals social skills that may have become impaired by prolonged isolation. PMID:25782760

  3. Development of the Physical Activity Interactive Recall (PAIR) for Aboriginal children.

    PubMed

    Lévesque, Lucie; Cargo, Margaret; Salsberg, Jon

    2004-03-29

    BACKGROUND: Aboriginal children in Canada are at increased risk for type 2 diabetes. Given that physical inactivity is an important modifiable risk factor for type 2 diabetes, prevention efforts targeting Aboriginal children include interventions to enhance physical activity involvement. These types of interventions require adequate assessment of physical activity patterns to identify determinants, detect trends, and evaluate progress towards intervention goals. The purpose of this study was to develop a culturally appropriate interactive computer program to self-report physical activity for Kanien'kehá:ka (Mohawk) children that could be administered in a group setting. This was an ancillary study of the ongoing Kahnawake Schools Diabetes Prevention Project (KSDPP). METHODS: During Phase I, focus groups were conducted to understand how children describe and graphically depict type, intensity and duration of physical activity. Sixty-six students (40 girls, 26 boys, mean age = 8.8 years, SD = 1.8) from four elementary schools in three eastern Canadian Kanien'kehá:ka communities participated in 15 focus groups. Children were asked to discuss and draw about physical activity. Content analysis of focus groups informed the development of a school-day and non-school-day version of the physical activity interactive recall (PAIR). In Phase II, pilot-tests were conducted in two waves with 17 and 28 children respectively to assess the content validity of PAIR. Observation, videotaping, and interviews were conducted to obtain children's feedback on PAIR content and format. RESULTS: Children's representations of activity type and activity intensity were used to compile a total of 30 different physical activity and 14 non-physical activity response choices with accompanying intensity options. Findings from the pilot tests revealed that Kanien'kehá:ka children between nine and 13 years old could answer PAIR without assistance. Content validity of PAIR was judged to be adequate

  4. Development of the Physical Activity Interactive Recall (PAIR) for Aboriginal children

    PubMed Central

    Lévesque, Lucie; Cargo, Margaret; Salsberg, Jon

    2004-01-01

    Background Aboriginal children in Canada are at increased risk for type 2 diabetes. Given that physical inactivity is an important modifiable risk factor for type 2 diabetes, prevention efforts targeting Aboriginal children include interventions to enhance physical activity involvement. These types of interventions require adequate assessment of physical activity patterns to identify determinants, detect trends, and evaluate progress towards intervention goals. The purpose of this study was to develop a culturally appropriate interactive computer program to self-report physical activity for Kanien'kehá:ka (Mohawk) children that could be administered in a group setting. This was an ancillary study of the ongoing Kahnawake Schools Diabetes Prevention Project (KSDPP). Methods During Phase I, focus groups were conducted to understand how children describe and graphically depict type, intensity and duration of physical activity. Sixty-six students (40 girls, 26 boys, mean age = 8.8 years, SD = 1.8) from four elementary schools in three eastern Canadian Kanien'kehá:ka communities participated in 15 focus groups. Children were asked to discuss and draw about physical activity. Content analysis of focus groups informed the development of a school-day and non-school-day version of the physical activity interactive recall (PAIR). In Phase II, pilot-tests were conducted in two waves with 17 and 28 children respectively to assess the content validity of PAIR. Observation, videotaping, and interviews were conducted to obtain children's feedback on PAIR content and format. Results Children's representations of activity type and activity intensity were used to compile a total of 30 different physical activity and 14 non-physical activity response choices with accompanying intensity options. Findings from the pilot tests revealed that Kanien'kehá:ka children between nine and 13 years old could answer PAIR without assistance. Content validity of PAIR was judged to be adequate

  5. A survey of the lone pair effect on the ring geometry of 1,2,4-triazoles and analogous 1,2,3-triazoles and imidazoles. The structures of 1-methyl-5-amino-3-methylthio-1,2,4-triazole, 1-phenyl-5-amino-3-methylthio-1,2,4-triazole and 1-(4-methylbenzyl)-3-amino-5-methylthio-1,2,4-triazole

    NASA Astrophysics Data System (ADS)

    Kálmán, A.; Argay, Gy.

    1983-11-01

    The structures of the title compounds have been established by X-ray crystallography from diffractometer data. Crystals of the first ( I), C 4H 8N 4S, are monoclinic, space group P2 1/ c, with a = 8.166(2), b = 10.481(1), c = 8.585(1) Å, β = 109.33(2)°, Z = 4, D c = 1.381 g cm -3. Crystals of the second ( II), C 9H 10N 4S, are monoclinic, space group P2 1/ c, with a = 11.850(4), b = 7.898(1), c = 23.981 (6) Å, β = 117.23(2)°, Z = 8, D c = 1.373 g cm -3. Crystals of the third ( III), C 11H 14N 4S 1 are also monoclinic, space group P2 1/ c with a = 12.829(3), b = 8.348(1), c = 11.088(4) Å, β = 94.40(4)°, Z = 4, Dc = 1.314 g cm -3. The structures, determined by direct methods ( I, III) and Patterson synthesis ( II) were refined to R = 0.039 for 1070 reflections of I, R = 0.040 for 2792 reflections of II and R = 0.041 for 1900 reflections of III. The characteristic features of the planar five-membered rings are studied in comparison with the analogous 1,2,3-triazoles and imidazoles. It is shown that these planar rings exhibit only two patterns of the endocyclic bond angles induced dominantly by the number and relative position of the N-lone pairs. A similar effect of the double bonds (attached to C atoms) is also discussed.

  6. Modeling meiotic chromosome pairing: nuclear envelope attachment, telomere-led active random motion, and anomalous diffusion

    NASA Astrophysics Data System (ADS)

    Marshall, Wallace F.; Fung, Jennifer C.

    2016-04-01

    The recognition and pairing of homologous chromosomes during meiosis is a complex physical and molecular process involving a combination of polymer dynamics and molecular recognition events. Two highly conserved features of meiotic chromosome behavior are the attachment of telomeres to the nuclear envelope and the active random motion of telomeres driven by their interaction with cytoskeletal motor proteins. Both of these features have been proposed to facilitate the process of homolog pairing, but exactly what role these features play in meiosis remains poorly understood. Here we investigate the roles of active motion and nuclear envelope tethering using a Brownian dynamics simulation in which meiotic chromosomes are represented by a Rouse polymer model subjected to tethering and active forces at the telomeres. We find that tethering telomeres to the nuclear envelope slows down pairing relative to the rates achieved by unattached chromosomes, but that randomly directed active forces applied to the telomeres speed up pairing dramatically in a manner that depends on the statistical properties of the telomere force fluctuations. The increased rate of initial pairing cannot be explained by stretching out of the chromosome conformation but instead seems to correlate with anomalous diffusion of sub-telomeric regions.

  7. A false dichotomy? Mental illness and lone-actor terrorism.

    PubMed

    Corner, Emily; Gill, Paul

    2015-02-01

    We test whether significant differences in mental illness exist in a matched sample of lone- and group-based terrorists. We then test whether there are distinct behavioral differences between lone-actor terrorists with and without mental illness. We then stratify our sample across a range of diagnoses and again test whether significant differences exist. We conduct a series of bivariate, multivariate, and multinomial statistical tests using a unique dataset of 119 lone-actor terrorists and a matched sample of group-based terrorists. The odds of a lone-actor terrorist having a mental illness is 13.49 times higher than the odds of a group actor having a mental illness. Lone actors who were mentally ill were 18.07 times more likely to have a spouse or partner who was involved in a wider movement than those without a history of mental illness. Those with a mental illness were more likely to have a proximate upcoming life change, more likely to have been a recent victim of prejudice, and experienced proximate and chronic stress. The results identify behaviors and traits that security agencies can utilize to monitor and prevent lone-actor terrorism events. The correlated behaviors provide an image of how risk can crystalize within the individual offender and that our understanding of lone-actor terrorism should be multivariate in nature. PMID:25133916

  8. Midlife Activity Predicts Risk of Dementia in Older Male Twin Pairs

    PubMed Central

    Carlson, Michelle C.; Helms, Michael J.; Steffens, David C.; Burke, James R.; Potter, Guy G.; Plassman, Brenda L.

    2013-01-01

    Background Prospective study of dementia to elucidate mechanisms of disease risk factors amenable to modification and specifically to determine whether midlife cognitive and physical leisure activities are associated with delayed onset or reduced risk of dementia within older male twin pairs. Method Co-twin control design using prospectively collected exposure information to predict risk of dementia 20–40 years later. Setting Community-dwelling and nursing home residents living throughout the continental United States. Participants 147 male twin-pairs who were discordant for dementia or age of dementia onset and were members of the NAS-NRC Twin Registry of World War II veterans and participants in the Duke Twins Study of Memory in Aging. Main Outcome Measure Diagnosed dementia using a two-stage screen and full clinical evaluation. Conditional odds ratios were estimated for the association between midlife leisure activities and late life dementia. Results Greater midlife cognitive activity was associated with a 26% risk reduction for dementia onset. Protective effects were most robust in monozygotic twin-pairs, where genetic and early-life influences were most tightly controlled, and for activities that were often cognitive and social in nature. Cognitive activity was particularly protective among monozygotic twin-pairs carrying the APOE4 allele, with a 30% risk reduction. Midlife physical activity did not modify dementia risk. Conclusions Participation in a range of cognitively and socially engaging activities in midlife reduced risk for dementia and AD in twins discordant for onset, particularly among twin-pairs at elevated genetic risk, and may be indicative of an enriched environment. PMID:18790459

  9. Choking under social pressure: social monitoring among the lonely.

    PubMed

    Knowles, Megan L; Lucas, Gale M; Baumeister, Roy F; Gardner, Wendi L

    2015-06-01

    Lonely individuals may decode social cues well but have difficulty putting such skills to use precisely when they need them--in social situations. In four studies, we examined whether lonely people choke under social pressure by asking participants to complete social sensitivity tasks framed as diagnostic of social skills or nonsocial skills. Across studies, lonely participants performed worse than nonlonely participants on social sensitivity tasks framed as tests of social aptitude, but they performed just as well or better than the nonlonely when the same tasks were framed as tests of academic aptitude. Mediational analyses in Study 3 and misattribution effects in Study 4 indicate that anxiety plays an important role in this choking effect. This research suggests that lonely individuals may not need to acquire social skills to escape loneliness; instead, they must learn to cope with performance anxiety in interpersonal interactions. PMID:25956799

  10. Identity in Activity: Examining Teacher Professional Identity Formation in the Paired-Placement of Student Teachers

    ERIC Educational Resources Information Center

    Dang, Thi Kim Anh

    2013-01-01

    This paper examines the evolution of the professional identities of student teachers (STs) in a paired-placement teaching practicum in Vietnam. The study draws on activity theory, its notion of contradiction, and Vygotsky's concepts of ZPD and "perezhivanie", to identify the factors driving the intricate learning process. Opportunities for…

  11. Disk-Corona Model of Active Galactic Nuclei with Nonthermal Pairs

    NASA Technical Reports Server (NTRS)

    Tsuruta, Sachiko; Kellen, Michael

    1995-01-01

    As a promising model for the X-ray emission from radio-quiet quasars and Seyfert 1 nuclei, we present a nonthermal disk-corona model, where soft photons from a disk are Comptonized by the nonthermal electron-positron pairs in a coronal region above the disk. Various characteristics of our model are qualitatively similar to the homogeneous, spherical, nonthermal pair models previously studied, but the important difference is that in our disk-corona model gamma-ray depletion is far more efficient, and, moreover, the gamma-ray annihilation line is much less prominent. Consequently, this model naturally satisfies the observed constraints on active galactic nuclei.

  12. Ion-Pair SN 2 Substitution: Activation Strain Analyses of Counter-Ion and Solvent Effects.

    PubMed

    Laloo, Jalal Z A; Rhyman, Lydia; Ramasami, Ponnadurai; Bickelhaupt, F Matthias; de Cózar, Abel

    2016-03-18

    The ion-pair SN 2 reactions of model systems Mn F(n-1) +CH3 Cl (M(+) =Li(+) , Na(+) , K(+) , and MgCl(+) ; n=0, 1) have been quantum chemically explored by using DFT at the OLYP/6-31++G(d,p) level. The purpose of this study is threefold: 1) to elucidate how the counterion M(+) modifies ion-pair SN 2 reactivity relative to the parent reaction F(-) +CH3 Cl; 2) to determine how this influences stereochemical competition between the backside and frontside attacks; and 3) to examine the effect of solvation on these ion-pair SN 2 pathways. Trends in reactivity are analyzed and explained by using the activation strain model (ASM) of chemical reactivity. The ASM has been extended to treat reactivity in solution. These findings contribute to a more rational design of tailor-made substitution reactions. PMID:26879231

  13. Time-dependent behavior of active galactic nuclei with pair production

    NASA Technical Reports Server (NTRS)

    Li, H.; Dermer, C. D.

    1994-01-01

    We study the properties of coupled partial differential equations describing the time-dependent behavior of the photon and electron occupation numbers for conditions likely to be found near active galactic nuclei (AGN). The processes governing electron acceleration are modeled by a stochastic accelerator, and we include acceleration by Alfvenic and whistler turbulence. The acceleration of electrons is limited by Compton and synchrotron losses, and the number density of electrons depends on pair production and annihilation processes. We also treat particle escape from the system. We examine the steady, (possibly) oscillatory, and unstable solutions that arise for various choices of parameters. We examine instabilities related to pair production and trapping and consider the formation of pair jets.

  14. The Mystery of the Lonely Neutron Star

    NASA Astrophysics Data System (ADS)

    2000-09-01

    The VLT Reveals Bowshock Nebula around RX J1856.5-3754 Deep inside the Milky Way, an old and lonely neutron star plows its way through interstellar space. Known as RX J1856.5-3754 , it measures only ~ 20 km across. Although it is unusually hot for its age, about 700,000 °C, earlier observations did not reveal any activity at all, contrary to all other neutron stars known so far. In order to better understand this extreme type of object, a detailed study of RX J1856.5-3754 was undertaken by Marten van Kerkwijk (Institute of Astronomy of the University of Utrecht, The Netherlands) and Shri Kulkarni (California Institute of Technology, Pasadena, California, USA). To the astronomers' delight and surprise, images and spectra obtained with the ESO Very Large Telescope (VLT) now show a small nearby cone-shaped ("bowshock") nebula. It shines in the light from hydrogen atoms and is obviously a product of some kind of interaction with this strange star. Neutron stars - remnants of supernova explosions Neutron stars are among the most extreme objects in the Universe. They are formed when a massive star dies in a "supernova explosion" . During this dramatic event, the core of the star suddenly collapses under its own weight and the outer parts are violently ejected into surrounding space. One of the best known examples is the Crab Nebula in the constellation Taurus (The Bull). It is the gaseous remnant of a star that exploded in the year 1054 and also left behind a pulsar , i.e., a rotating neutron star [1]. A supernova explosion is a very complex event that is still not well understood. Nor is the structure of a neutron star known in any detail. It depends on the extreme properties of matter that has been compressed to incredibly high densities, far beyond the reach of physics experiments on Earth [2]. The ultimate fate of a neutron star is also unclear. From the observed rates of supernova explosions in other galaxies, it appears that several hundred million neutron stars

  15. Brain Activation during Memory Encoding in Type 2 Diabetes Mellitus: A Discordant Twin Pair Study.

    PubMed

    Wood, Amanda G; Chen, Jian; Moran, Christopher; Phan, Thanh; Beare, Richard; Cooper, Kimberley; Litras, Stacey; Srikanth, Velandai

    2016-01-01

    Type 2 diabetes mellitus increases the risk of dementia and neuronal dysfunction may occur years before perceptible cognitive decline. We aimed to study the impact of type 2 diabetes on brain activation during memory encoding in middle-aged people, controlling for age, sex, genes, and early-shared environment. Twenty-two twin pairs discordant for type 2 diabetes mellitus (mean age 60.9 years) without neurological disease were recruited from the Australian Twin Registry (ATR) and underwent functional magnetic resonance imaging (fMRI) during a memory encoding task, cognitive tests, and structural MRI. Type 2 diabetes was associated with significantly reduced activation in left hemisphere temporoparietal regions including angular gyrus, supramarginal gyrus, and middle temporal gyrus and significantly increased activation in bilateral posteriorly distributed regions. These findings were present in the absence of within-pair differences in standard cognitive test scores, brain volumes, or vascular lesion load. Differences in activation were more pronounced among monozygotic (MZ) pairs, with MZ individuals with diabetes also displaying greater frontal activation. These results provide evidence for preclinical memory-related neuronal dysfunction in type 2 diabetes. They support the search for modifiable later-life environmental factors or epigenetic mechanisms linking type 2 diabetes and cognitive decline. PMID:27314047

  16. Brain Activation during Memory Encoding in Type 2 Diabetes Mellitus: A Discordant Twin Pair Study

    PubMed Central

    Wood, Amanda G.; Chen, Jian; Moran, Christopher; Phan, Thanh; Beare, Richard; Cooper, Kimberley; Litras, Stacey; Srikanth, Velandai

    2016-01-01

    Type 2 diabetes mellitus increases the risk of dementia and neuronal dysfunction may occur years before perceptible cognitive decline. We aimed to study the impact of type 2 diabetes on brain activation during memory encoding in middle-aged people, controlling for age, sex, genes, and early-shared environment. Twenty-two twin pairs discordant for type 2 diabetes mellitus (mean age 60.9 years) without neurological disease were recruited from the Australian Twin Registry (ATR) and underwent functional magnetic resonance imaging (fMRI) during a memory encoding task, cognitive tests, and structural MRI. Type 2 diabetes was associated with significantly reduced activation in left hemisphere temporoparietal regions including angular gyrus, supramarginal gyrus, and middle temporal gyrus and significantly increased activation in bilateral posteriorly distributed regions. These findings were present in the absence of within-pair differences in standard cognitive test scores, brain volumes, or vascular lesion load. Differences in activation were more pronounced among monozygotic (MZ) pairs, with MZ individuals with diabetes also displaying greater frontal activation. These results provide evidence for preclinical memory-related neuronal dysfunction in type 2 diabetes. They support the search for modifiable later-life environmental factors or epigenetic mechanisms linking type 2 diabetes and cognitive decline. PMID:27314047

  17. Bimodal Distribution of Geyser Preplay Eruptions: Lone Star Geyser, Yellowstone National Park

    NASA Astrophysics Data System (ADS)

    Namiki, A.; Hurwitz, S.; Murphy, F.; Manga, M.

    2014-12-01

    Geyser eruption intervals are determined by rates of water and heat discharge into shallow subsurface reservoirs and the conduit. In some geysers, small amounts of water discharge prior to a main eruption ('Preplay') can affect eruption intervals. Water discharge during preplay reduces the hydrostatic pressure, which in turn, induces boiling of water that is at, or near the critical temperature. Ascending steam slugs from depth can also lead to shorter eruption intervals (Namiki et al., 2014). In April 2014, we carried a five day experiment at Lone Star Geyser, Yellowstone National Park. Eruptions and their preplays were recorded with an infrared sensor that measured temperature variations immediately above the geyser cone (3.4~m high), temperature loggers that measured water temperature at the base of the cone and in the outflow channels, and visual observations. At Lone Star Geyser, during the preplay phase of the eruption, mainly liquid water is erupted, whereas the main phase of the eruption begins with the liquid-water dominated eruption and turns into the steam discharge. The temperature rise in an outflow channel indicates the occurrence of preplays and initiation of the main eruption. The acquired data suggests that the preplay patterns of Lone Star Geyser are vigorous and complex, consistent with previous observations (Karlstrom et al., 2013). Our new observations reveal two typical styles: 1) vigorous preplays with few events (<5) and long intervals (>20~minutes) that last approximately 40~minutes, and 2) less vigorous preplays that include several events (>5) with short intervals (few minutes), and continue approximately for one hour. Probability distributions of preplay durations show two peaks indicating the bimodal activity. The bimodality of Lone Star preplays may be a result of subtle change of temperature distribution in a convecting reservoir which has been observed in laboratory experiments (Toramaru and Maeda, 2013).

  18. The duration of lone parenthood in Great Britain.

    PubMed

    Ermisch, J F; Wright, R E

    1991-06-01

    Proportional hazards model analyses were conducted to examine the duration of lone parenthood among British women in 1980. Marital, demographic, and employment histories for 5320 women were collected from the Women and Employment Survey. A distinction is made between never married and previously married lone parents. Variables that affect the remarriage rate are occupation in last job before 1st birth, number of children at time of marital dissolution, age of youngest child at marital dissolution, period of marital dissolution, age at time of marital dissolution, duration of 1st marriage, work experience at end of 1st marriage, employment some time in the 12 months prior to marital dissolution, and highest educational qualifications. Characteristics that change over time and variables that pertain to the economic environment are also included. The statistical approach was to 1st build a general model with all the detailed variables, current employment status variables, and the macro environmental variables. In this model only women's real wages and real welfare benefits had statistical significance. Further refinements in the model were then made. The log of real welfare benefits as the only macro variable included in the specification revealed a positive and statistically significant relationship to the remarriage rate (x2=1.16). When the log of real wage is included, it has a negative effect which is statistically insignificant (x2=1.25). When both are included in a model, both are significant with opposite signs. The interpretation is that when women earn more in employment, they are less likely to remarry and remain lone parents longer. The duration of lone parenthood has the strongest association with the age of the woman. The type of job she had before becoming a mother and whether she had a job in the year prior to the dissolution of her marriage are strongly associated with the duration of lone parenthood for those previously married mothers. Results also

  19. Lewis Acid Pairs for the Activation of Biomass-derived Oxygenates in Aqueous Media

    SciTech Connect

    Roman, Yuriy

    2015-09-14

    The objective of this project is to understand the mechanistic aspects behind the cooperative activation of oxygenates by catalytic pairs in aqueous media. Specifically, we will investigate how the reactivity of a solid Lewis acid can be modulated by pairing the active site with other catalytic sites at the molecular level, with the ultimate goal of enhancing activation of targeted functional groups. Although unusual catalytic properties have been attributed to the cooperative effects promoted by such catalytic pairs, virtually no studies exist detailing the use heterogeneous water-tolerant Lewis pairs. A main goal of this work is to devise rational pathways for the synthesis of porous heterogeneous catalysts featuring isolated Lewis pairs that are active in the transformation of biomass-derived oxygenates in the presence of bulk water. Achieving this technical goal will require closely linking advanced synthesis techniques; detailed kinetic and mechanistic investigations; strict thermodynamic arguments; and comprehensive characterization studies of both materials and reaction intermediates. For the last performance period (2014-2015), two technical aims were pursued: 1) C-C coupling using Lewis acid and base pairs in Lewis acidic zeolites. Tin-, zirconium-, and hafnium containing zeolites (e.g., Sn-, Zr-, and Hf-Beta) are versatile solid Lewis acids that selectively activate carbonyl functional groups. In this aim, we demonstrate that these zeolites catalyze the cross-aldol condensation of aromatic aldehydes with acetone under mild reaction conditions with near quantitative yields. NMR studies with isotopically labeled molecules confirm that acid-base pairs in the Si-O-M framework ensemble promote soft enolization through α-proton abstraction. The Lewis acidic zeolites maintain activity in the presence of water and, unlike traditional base catalysts, in acidic solutions. 2) One-pot synthesis of MWW zeolite nanosheets for activation of bulky substrates. Through

  20. Investigation of the mineral potential of the Clipper Gap, Lone Mountain-Weepah, and Pipe Spring plutons, Nevada

    SciTech Connect

    Tingley, J.V.; Maldonado, F.

    1983-09-15

    The Clipper Gap pluton, composed mostly of quartz monzonite with minor granite, granodiorite, and crosscutting alaskite dikes, intrudes Paleozoic western facies strata. A narrow zone of contact metamorphism is present at the intrusive-sediment contact. No mineral production has been recorded from Clipper Gap, but quartz veins containing gold-silver-copper mineral occurrences have been prospected there from the late 1800's to the present. Areas of the Lone Mountain-Weepah plutons that were studied are located in Esmeralda County about 14 km west of Tonopah, Nevada. At Lone Mountain, a Cretaceous intrusive cuts folded Precambrian and Cambrian sediments. Lead-zinc ores have been mined from small replacement ore bodies in the Alpine district, west of Lone Mountain. Copper and molybdenum occurrences have been found along the east flank of Lone Mountain, and altered areas were noted in intrusive outcrops around the south end of Lone Mountain. Mineral occurrences are widespread and varied with mining activity dating back to the 1860's. The Pipe Spring pluton study area is flanked by two important mining districts, Manhattan to the north and Belmont to the northeast. Mining activity at Belmont dates from 1865. Activity at Manhattan was mainly between 1907 and 1947, but the district is active at the present time (1979). Four smaller mining areas, Monarch, Spanish Springs, Baxter Spring, and Willow Springs, are within the general boundary of the area. The Pipe Spring pluton study area contains numerous prospects along the northern contact zone of the pluton. Tungsten-bearing veins occur within the pluton near Spanish Springs, with potential for gold-tungsten placer in the Ralston Valley. Nickel and associated metals occur at Willow Spring and Monarch Ranch, where prospects may be associated with the margin of the Big Ten Peak Caldera.

  1. Inferring Active and Prognostic Ligand-Receptor Pairs with Interactions in Survival Regression Models

    PubMed Central

    Ruggeri, Christina; Eng, Kevin H

    2014-01-01

    Modeling signal transduction in cancer cells has implications for targeting new therapies and inferring the mechanisms that improve or threaten a patient’s treatment response. For transcriptome-wide studies, it has been proposed that simple correlation between a ligand and receptor pair implies a relationship to the disease process. Statistically, a differential correlation (DC) analysis across groups stratified by prognosis can link the pair to clinical outcomes. While the prognostic effect and the apparent change in correlation are both biological consequences of activation of the signaling mechanism, a correlation-driven analysis does not clearly capture this assumption and makes inefficient use of continuous survival phenotypes. To augment the correlation hypothesis, we propose that a regression framework assuming a patient-specific, latent level of signaling activation exists and generates both prognosis and correlation. Data from these systems can be inferred via interaction terms in survival regression models allowing signal transduction models beyond one pair at a time and adjusting for other factors. We illustrate the use of this model on ovarian cancer data from the Cancer Genome Atlas (TCGA) and discuss how the finding may be used to develop markers to guide targeted molecular therapies. PMID:25657571

  2. Sequential formation of ion pairs during activation of a sodium channel voltage sensor

    PubMed Central

    DeCaen, Paul G.; Yarov-Yarovoy, Vladimir; Sharp, Elizabeth M.; Scheuer, Todd; Catterall, William A.

    2009-01-01

    Electrical signaling in biology depends upon a unique electromechanical transduction process mediated by the S4 segments of voltage-gated ion channels. These transmembrane segments are driven outward by the force of the electric field on positively charged amino acid residues termed “gating charges,” which are positioned at three-residue intervals in the S4 transmembrane segment, and this movement is coupled to opening of the pore. Here, we use the disulfide-locking method to demonstrate sequential ion pair formation between the fourth gating charge in the S4 segment (R4) and two acidic residues in the S2 segment during activation. R4 interacts first with E70 at the intracellular end of the S2 segment and then with D60 near the extracellular end. Analysis with the Rosetta Membrane method reveals the 3-D structures of the gating pore as these ion pairs are formed sequentially to catalyze the S4 transmembrane movement required for voltage-dependent activation. Our results directly demonstrate sequential ion pair formation that is an essential feature of the sliding helix model of voltage sensor function but is not compatible with the other widely discussed gating models. PMID:20007787

  3. A community computational challenge to predict the activity of pairs of compounds

    PubMed Central

    Bansal, Mukesh; Yang, Jichen; Karan, Charles; Menden, Michael P; Costello, James C; Tang, Hao; Xiao, Guanghua; Li, Yajuan; Allen, Jeffrey; Zhong, Rui; Chen, Beibei; Kim, Minsoo; Wang, Tao; Heiser, Laura M; Realubit, Ronald; Mattioli, Michela; Alvarez, Mariano J; Shen, Yao; Gallahan, Daniel; Singer, Dinah; Saez-Rodriguez, Julio; Xie, Yang; Stolovitzky, Gustavo; Califano, Andrea

    2015-01-01

    Recent therapeutic successes have renewed interest in drug combinations, but experimental screening approaches are costly and often identify only small numbers of synergistic combinations. The DREAM consortium launched an open challenge to foster the development of in silico methods to computationally rank 91 compound pairs, from the most synergistic to the most antagonistic, based on gene-expression profiles of human B cells treated with individual compounds at multiple time points and concentrations. Using scoring metrics based on experimental dose-response curves, we assessed 32 methods (31 community-generated approaches and SynGen), four of which performed significantly better than random guessing. We highlight similarities between the methods. Although the accuracy of predictions was not optimal, we find that computational prediction of compound-pair activity is possible, and that community challenges can be useful to advance the field of in silico compound-synergy prediction. PMID:25419740

  4. Nonthermal electron-positron pairs and cold matter in the central engines of active galactic nuclei

    NASA Technical Reports Server (NTRS)

    Zdziarski, Andrzej A.

    1992-01-01

    The nonthermal e(+/-) pair model of the central engine of active galactic nuclei (AGNs) is discussed. The model assumes that nonthermal e(+/-) pairs are accelerated to highly relativistic energies in a compact region close to the central black hole and in the vicinity of some cold matter. The model has a small number of free parameters and explains a large body of AGN observations from EUV to soft gamma-rays. In particular, the model explains the existence of the UV bump, the soft X-rays excess, the canonical hard X-ray power law, the spectral hardening above about 10 keV, and some of the variability patterns in the soft and hard X-rays. In addition, the model explains the spectral steepening above about 50 keV seen in NGC 4151.

  5. The Myth of the Lone Physician: Toward a Collaborative Alternative

    PubMed Central

    Saba, George W.; Villela, Teresa J.; Chen, Ellen; Hammer, Hali; Bodenheimer, Thomas

    2012-01-01

    Cultural values and beliefs about the primary care physician bolster the myth of the lone physician: a competent professional who is esteemed by colleagues and patients for his or her willingness to sacrifice self, accept complete responsibility for care, maintain continuity and accessibility, and assume the role of lone decision maker in clinical care. Yet the reality of current primary care models is often fragmented, impersonal care for patients and isolation and burnout for many primary care physicians. An alternative to the mythological lone physician would require a paradigm shift that places the primary care physician within the context of a highly functioning health care team. This new mythology better fulfills the collaborative, interprofessional, patient-centered needs of new models of care, and might help to ensure that the work of primary care physicians remains compassionate, gratifying, and meaningful. PMID:22412010

  6. Cooperative activation of Xenopus rhodopsin transcription by paired-like transcription factors

    PubMed Central

    2014-01-01

    Background In vertebrates, rod photoreceptor-specific gene expression is regulated by the large Maf and Pax-like transcription factors, Nrl/LNrl and Crx/Otx5. The ubiquitous occurrence of their target DNA binding sites throughout rod-specific gene promoters suggests that multiple transcription factor interactions within the promoter are functionally important. Cooperative action by these transcription factors activates rod-specific genes such as rhodopsin. However, a quantitative mechanistic explanation of transcriptional rate determinants is lacking. Results We investigated the contributions of various paired-like transcription factors and their cognate cis-elements to rhodopsin gene activation using cultured cells to quantify activity. The Xenopus rhodopsin promoter (XOP) has a bipartite structure, with ~200 bp proximal to the start site (RPP) coordinating cooperative activation by Nrl/LNrl-Crx/Otx5 and the adjacent 5300 bp upstream sequence increasing the overall expression level. The synergistic activation by Nrl/LNrl-Crx/Otx5 also occurred when XOP was stably integrated into the genome. We determined that Crx/Otx5 synergistically activated transcription independently and additively through the two Pax-like cis-elements, BAT1 and Ret4, but not through Ret1. Other Pax-like family members, Rax1 and Rax2, do not synergistically activate XOP transcription with Nrl/LNrl and/or Crx/Otx5; rather they act as co-activators via the Ret1 cis-element. Conclusions We have provided a quantitative model of cooperative transcriptional activation of the rhodopsin promoter through interaction of Crx/Otx5 with Nrl/LNrl at two paired-like cis-elements proximal to the NRE and TATA binding site. Further, we have shown that Rax genes act in cooperation with Crx/Otx5 with Nrl/LNrl as co-activators of rhodopsin transcription. PMID:24499263

  7. Motives for and barriers to physical activity in twin pairs discordant for leisure time physical activity for 30 years.

    PubMed

    Aaltonen, S; Leskinen, T; Morris, T; Alen, M; Kaprio, J; Liukkonen, J; Kujala, U

    2012-02-01

    Long-term persistent physical activity is important in the prevention of chronic diseases, but a large number of people do not participate in physical activity to obtain health benefits. The purpose of this study was to examine the motives and perceived barriers to long-term engagement in leisure time physical activity. Same-sex twin pairs (N=16, mean age 60) discordant for physical activity over 30 years were identified from the Finnish Twin Cohort. We evaluated participants' physical activity motivation with the 73-item Recreational Exercise Motivation Measure and assessed barriers to physical activity with a 25-item questionnaire. The characteristics of physical activity motivation and perceived barriers between the active and inactive co-twins were analysed using paired tests. Motives related to the sub-dimensions of enjoyment and physical fitness and psychological state were the most important reasons for participation in physical activity among all the twin individuals analysed. The sub-dimensions mastery (p=0.018, Cohen's d=0.76), physical fitness (p=0.029, Cohen's d=0.69), and psychological state (p=0.039, Cohen's d=0.65) differed significantly between active and inactive co-twins. More than half of the participants reported no reasons for not being physically active. If reasons existed, participation in physical activity was deterred mostly by pain and various health problems. This study found no differences in perceived barriers between active and inactive co-twins. We conclude from our results that the main factors promoting persistent leisure time physical activity were participants' wish to improve or maintain their physical skills or techniques, a feeling that exercise would improve their mental and physical health and that they found the activity enjoyable. This study helps us understand the importance of the role of motives and the minor role of perceived barriers for engagement in persistent physical activity. PMID:22318531

  8. A LONE code for the sparse control of quantum systems

    NASA Astrophysics Data System (ADS)

    Ciaramella, G.; Borzì, A.

    2016-03-01

    In many applications with quantum spin systems, control functions with a sparse and pulse-shaped structure are often required. These controls can be obtained by solving quantum optimal control problems with L1-penalized cost functionals. In this paper, the MATLAB package LONE is presented aimed to solving L1-penalized optimal control problems governed by unitary-operator quantum spin models. This package implements a new strategy that includes a globalized semi-smooth Krylov-Newton scheme and a continuation procedure. Results of numerical experiments demonstrate the ability of the LONE code in computing accurate sparse optimal control solutions.

  9. Future hospital care in a population-based series of twin pairs discordant for physical activity behavior.

    PubMed Central

    Kujala, U M; Kaprio, J; Sarna, S; Koskenvuo, M

    1999-01-01

    OBJECTIVES: This study investigated the association between physical activity behavior and morbidity, taking into account genetic selection. METHODS: Hospitalizations were followed from the beginning of 1977 to the end of 1986 in 710 same-sex healthy twin pairs discordant for leisure-time physical activity and in 151 pairs discordant for all physical activity at base-line in 1975. RESULTS: During the follow-up, among twin pairs discordant for leisure activity, the active member spent, on average, 43% fewer days in the hospital than the inactive member; the corresponding percentage was 55% among pairs discordant for all activity. CONCLUSIONS: Physically inactive behavior is associated with increased need for hospital treatments, even after genetic and other confounding factors are taken into account. PMID:10589321

  10. Wobble Pairs of the HDV Ribozyme Play Specific Roles in Stabilization of Active Site Dynamics

    PubMed Central

    Sripathi, Kamali N.; Banáš, Pavel; Reblova, Kamila; Šponer, Jiři; Otyepka, Michal

    2015-01-01

    The hepatitis delta virus (HDV) is the only known human pathogen whose genome contains a catalytic RNA motif (ribozyme). The overall architecture of the HDV ribozyme is that of a double-nested pseudoknot, with two GU pairs flanking the active site. Although extensive studies have shown that mutation of either wobble results in decreased catalytic activity, little work has focused on linking these mutations to specific structural effects on catalytic fitness. Here we use molecular dynamics simulations based on an activated structure to probe the active site dynamics as a result of wobble pair mutations. In both wild-type and mutant ribozymes, the in-line fitness of the active site (as a measure of catalytic proficiency) strongly depends on the presence of a C75(N3H3+)N1(O5′) hydrogen bond, which positions C75 as the general acid for the reaction. Our mutational analyses show that each GU wobble supports catalytically fit conformations in distinct ways; the reverse G25U20 wobble promotes high in-line fitness, high occupancy of the C75(N3H3+)G1(O5′) general-acid hydrogen bond and stabilization of the G1U37 wobble, while the G1U37 wobble acts more locally by stabilizing high in-line fitness and the C75(N3H3+)G1(O5′) hydrogen bond. We also find that stable type I A-minor and P1.1 hydrogen bonding above and below the active site, respectively, prevent local structural disorder from spreading and disrupting global conformation. Taken together, our results define specific, often redundant architectural roles for several structural motifs of the HDV ribozyme active site, expanding the known roles of these motifs within all HDV-like ribozymes and other structured RNAs. PMID:25631765

  11. 49 CFR 214.347 - Training and qualification for lone workers.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 49 Transportation 4 2011-10-01 2011-10-01 false Training and qualification for lone workers. 214.347 Section 214.347 Transportation Other Regulations Relating to Transportation (Continued) FEDERAL... § 214.347 Training and qualification for lone workers. Each lone worker shall be trained and...

  12. 49 CFR 214.347 - Training and qualification for lone workers.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 49 Transportation 4 2014-10-01 2014-10-01 false Training and qualification for lone workers. 214.347 Section 214.347 Transportation Other Regulations Relating to Transportation (Continued) FEDERAL... § 214.347 Training and qualification for lone workers. Each lone worker shall be trained and...

  13. 49 CFR 214.347 - Training and qualification for lone workers.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 49 Transportation 4 2013-10-01 2013-10-01 false Training and qualification for lone workers. 214.347 Section 214.347 Transportation Other Regulations Relating to Transportation (Continued) FEDERAL... § 214.347 Training and qualification for lone workers. Each lone worker shall be trained and...

  14. 49 CFR 214.347 - Training and qualification for lone workers.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 49 Transportation 4 2010-10-01 2010-10-01 false Training and qualification for lone workers. 214.347 Section 214.347 Transportation Other Regulations Relating to Transportation (Continued) FEDERAL... § 214.347 Training and qualification for lone workers. Each lone worker shall be trained and...

  15. 49 CFR 214.347 - Training and qualification for lone workers.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 49 Transportation 4 2012-10-01 2012-10-01 false Training and qualification for lone workers. 214.347 Section 214.347 Transportation Other Regulations Relating to Transportation (Continued) FEDERAL... § 214.347 Training and qualification for lone workers. Each lone worker shall be trained and...

  16. Investigating Hypervigilance for Social Threat of Lonely Children

    ERIC Educational Resources Information Center

    Qualter, Pamela; Rotenberg, Ken; Barrett, Louise; Henzi, Peter; Barlow, Alexandra; Stylianou, Maria; Harris, Rebecca A.

    2013-01-01

    The hypothesis that lonely children show hypervigilance for social threat was examined in a series of three studies that employed different methods including advanced eye-tracking technology. Hypervigilance for social threat was operationalized as hostility to ambiguously motivated social exclusion in a variation of the hostile attribution…

  17. Exploring the "Lone Wolf" Phenomenon in Student Teams

    ERIC Educational Resources Information Center

    Barr, Terri Feldman; Dixon, Andrea L.; Gassenheimer, Jule B.

    2005-01-01

    The proliferation of projects using student teams has motivated researchers to examine factors that affect both team process and outcomes. This research introduces an individual difference variable found in the business environment that has not been examined in a classroom context. The lone wolf appears to play a role in how teams function and…

  18. Water discharge from Lone Star Geyser, Yellowstone NP, WY

    NASA Astrophysics Data System (ADS)

    Murphy, F.; Randolph-Flagg, N. G.; Hurwitz, S.

    2014-12-01

    During four days in April, 2014 we made a series of measurements at Lone Star Geyser in Yellowstone National Park, WY. This work included the continuous measurement of liquid water discharge from the geyser and some nearby not springs, and concurrent meteorological measurements. The discharge of the geyser and the hot springs was measured in channels that carry the water to the Firehole River. We found that average measured discharge varies from day to night, likely due to melting of geyser-generated and meteoric snow during warmer daylight hours and freezing of erupted liquid and vapor during the night. The nearby hot springs contribute a nearly constant flow of about 3 l/s to the Firehole River, while during eruptions the total discharge increases to a maximum of about 25 l/s. Two small geysers within 5 meters of the Lone Star Geyser cone were observed to erupt during a time when Lone Star Geyser was not erupting. The water discharged from these small geysers is a very small fraction of that from Lone Star Geyser.

  19. Pairing broadband noise with cortical stimulation induces extensive suppression of ascending sensory activity

    NASA Astrophysics Data System (ADS)

    Markovitz, Craig D.; Hogan, Patrick S.; Wesen, Kyle A.; Lim, Hubert H.

    2015-04-01

    Objective. The corticofugal system can alter coding along the ascending sensory pathway. Within the auditory system, electrical stimulation of the auditory cortex (AC) paired with a pure tone can cause egocentric shifts in the tuning of auditory neurons, making them more sensitive to the pure tone frequency. Since tinnitus has been linked with hyperactivity across auditory neurons, we sought to develop a new neuromodulation approach that could suppress a wide range of neurons rather than enhance specific frequency-tuned neurons. Approach. We performed experiments in the guinea pig to assess the effects of cortical stimulation paired with broadband noise (PN-Stim) on ascending auditory activity within the central nucleus of the inferior colliculus (CNIC), a widely studied region for AC stimulation paradigms. Main results. All eight stimulated AC subregions induced extensive suppression of activity across the CNIC that was not possible with noise stimulation alone. This suppression built up over time and remained after the PN-Stim paradigm. Significance. We propose that the corticofugal system is designed to decrease the brain’s input gain to irrelevant stimuli and PN-Stim is able to artificially amplify this effect to suppress neural firing across the auditory system. The PN-Stim concept may have potential for treating tinnitus and other neurological disorders.

  20. Pairing broadband noise with cortical stimulation induces extensive suppression of ascending sensory activity

    PubMed Central

    Markovitz, Craig D.; Hogan, Patrick S.; Wesen, Kyle A.; Lim, Hubert H.

    2015-01-01

    Objective The corticofugal system can alter coding along the ascending sensory pathway. Within the auditory system, electrical stimulation of the auditory cortex (AC) paired with a pure tone can cause egocentric shifts in the tuning of auditory neurons, making them more sensitive to the pure tone frequency. Since tinnitus has been linked with hyperactivity across auditory neurons, we sought to develop a new neuromodulation approach that could suppress a wide range of neurons rather than enhance specific frequency-tuned neurons. Approach We performed experiments in the guinea pig to assess the effects of cortical stimulation paired with broadband noise (PN-Stim) on ascending auditory activity within the central nucleus of the inferior colliculus (CNIC), a widely studied region for AC stimulation paradigms. Main results All eight stimulated AC regions induced extensive suppression of activity across the CNIC that was not possible with noise stimulation alone. This suppression built up over time and remained after the PN-Stim paradigm. Significance We propose that the corticofugal system is designed to decrease the brain’s input gain to irrelevant stimuli and PN-Stim is able to artificially amplify this effect to suppress neural firing across the auditory system. The PN-Stim concept may have potential for treating tinnitus and other neurological disorders. PMID:25686163

  1. Characterization of two nuclear mammalian homologous DNA-pairing activities that do not require associated exonuclease activity.

    PubMed Central

    Akhmedov, A T; Bertrand, P; Corteggiani, E; Lopez, B S

    1995-01-01

    We have developed an assay to study homologous DNA-pairing activities in mammalian nuclear extracts. This assay is derived from the POM blot assay, described earlier, which was specific for RecA activity in bacterial crude extracts. In the present work, proteins from mammalian nuclear extracts were resolved by electrophoresis on SDS/polyacrylamide gels and then electrotransferred onto a nitrocellulose membrane coated with circular single-stranded DNA (ssDNA). The blot obtained was incubated with a labeled homologous double-stranded DNA (dsDNA). Homologous pairing between the ssDNA and the labeled dsDNA was detected by autoradiography as a radioactive spot on the membrane. In nuclear extracts from mammalian cells, we found two major polypeptides of 100 and 75 kDa, able to promote the formation of stable plectonemic joints. Joint molecule formation required at least one homologous end on the dsDNA, but either end of the dsDNA could be recruited to initiate the reaction. For each polypeptide, the reaction required divalent cations such as Mg2+, Ca2+, or Mn2+. Although ATP was not necessary, ADP was inhibitory in each case. Unlike most of the known eukaryotic DNA-pairing proteins, both activities identified here were able to promote the formation of joint molecules without requiring an associated exonuclease activity. In addition, these two proteins were detected in cell lines from different tissues and from different mammalian species (human, mouse, and hamster). Images Fig. 2 Fig. 3 Fig. 4 Fig. 5 PMID:7878049

  2. Prevalence and Spectrum of TBX5 Mutation in Patients with Lone Atrial Fibrillation

    PubMed Central

    Wang, Zhan-Cheng; Ji, Wen-Hui; Ruan, Chang-Wu; Liu, Xing-Yuan; Qiu, Xing-Biao; Yuan, Fang; Li, Ruo-Gu; Xu, Ying-Jia; Liu, Xu; Huang, Ru-Tai; Xue, Song; Yang, Yi-Qing

    2016-01-01

    Atrial fibrillation (AF), the most common type of cardiac rhythm disturbance encountered in clinical practice, is associated with substantially increased morbidity and mortality. Aggregating evidence demonstrates that abnormal cardiovascular development is involved in the pathogenesis of AF. A recent study has revealed that the TBX5 gene, which encodes a T-box transcription factor key to cardiovascular development, was associated with AF and atypical Holt-Oram syndrome. However, the prevalence and spectrum of TBX5 mutation in patients with lone AF remain unclear. In this study, the coding regions and splicing junction sites of TBX5 were sequenced in 192 unrelated patients with lone AF and 300 unrelated ethnically-matched healthy individuals used as controls. The causative potential of the identified TBX5 variation was evaluated by MutationTaster and PolyPhen-2. The functional effect of the mutant TBX5 was assayed by using a dual-luciferase reporter assay system. As a result, a novel heterozygous TBX5 mutation, p.H170D, was identified in a patient, with a mutational prevalence of approximately 0.52%. This mutation, which was absent in the 300 control individuals, altered the amino acid completely conserved evolutionarily across species, and was predicted to be disease-causing. Functional deciphers showed that the mutant TBX5 was associated with significantly reduced transcriptional activity when compared with its wild-type counterpart. Furthermore, the mutation significantly decreased the synergistic activation between TBX5 and NKX2-5 or GATA4. The findings expand the mutational spectrum of TBX5 linked to AF and provide new evidence that dysfunctional TBX5 may contribute to lone AF. PMID:26917986

  3. Relatedness-dependent rapid development of brain activity in anterior temporal cortex during pair-association retrieval.

    PubMed

    Jimura, Koji; Hirose, Satoshi; Wada, Hiroyuki; Yoshizawa, Yasunori; Imai, Yoshio; Akahane, Masaaki; Machida, Toru; Shirouzu, Ichiro; Koike, Yasuharu; Konishi, Seiki

    2016-08-01

    Functional MRI studies have revealed that the brain activity in the anterior temporal cortex during memory retrieval increases over months after memory encoding. Behavioral evidence has demonstrated that long-term memory can sometimes be consolidated more rapidly in one or two days. In the present functional MRI study, we manipulated the relatedness between paired faces to be retrieved in a pair-association task. The brain activity in the anterior temporal cortex during retrieval of paired associates increased rapidly in one day, as shown in previous studies. We found that the speed of the brain activity development was dependent on the level of semantic relatedness of paired faces. The results suggest that the semantic relatedness enhances the speed of formation of memory representation in the anterior temporal cortex. PMID:27233220

  4. Locations of Joint Physical Activity in Parent-Child Pairs Based on Accelerometer and GPS Monitoring

    PubMed Central

    Dunton, Genevieve Fridlund; Liao, Yue; Almanza, Estela; Jerrett, Micheal; Spruijt-Metz, Donna; Pentz, Mary Ann

    2012-01-01

    Background Parental factors may play an important role in influencing children’s physical activity levels. Purpose This cross-sectional study sought to describe the locations of joint physical activity among parents and children. Methods Parent-child pairs (N = 291) wore an Actigraph GT2M accelerometer and GlobalSat BT-335 Global Positioning Systems (GPS) device over the same 7-day period. Children were ages 8–14 years. Joint behavior was defined by a linear separation distance of less than 50m between parent and child. Land use classifications were assigned to GPS data points. Results Joint physical activity was spread across residential locations (35%), and commercial venues (24%), and open spaces/parks (20%). Obese children and parents performed less joint physical activity in open spaces/parks than under/normal weight children and parents (p’s < .01). Conclusions Understanding where joint parent-child physical activity naturally occurs may inform location-based interventions to promote these behaviors. PMID:23011914

  5. Structure-activity Relationship Analysis of N-Benzoylpyrazoles for Elastase Inhibitory Activity: A Simplified Approach Using Atom Pair Descriptors

    PubMed Central

    Khlebnikov, Andrei I.; Schepetkin, Igor A.; Quinn, Mark T.

    2008-01-01

    Previously, we utilized high throughput screening of a chemical diversity library to identify potent inhibitors of human neutrophil elastase and found that many of these compounds had N-benzoylpyrazole core structures. We also found individual ring substituents had significant impact on elastase inhibitory activity and compound stability. In the present study, we utilized computational structure–activity relationship (SAR) analysis of a series of 53 N-benzoylpyrazole derivatives to further optimize these lead molecules. We present an improved approach to SAR methodology based on atom pair descriptors in combination with 2-dimentional (2D) molecular descriptors. This approach utilizes the rich representation of chemical structure and leads to SAR analysis that is both accurate and intuitively easy to understand. A sequence of ANOVA, linear discriminant, and binary classification tree analyses of the molecular descriptors led to the derivation of SAR rule-based algorithms. These rules revealed that the main factors influencing elastase inhibitory activity of N-benzoylpyrazole molecules were the presence of methyl groups in the pyrazole moiety and ortho-substituents in the benzoyl radical. Furthermore, our data showed that physicochemical characteristics (energy of frontier molecular orbitals, molar refraction, lipophilicity) were not necessary for achieving good SAR, as comparable quality of SAR classification was obtained with atom pairs and 2D descriptors only. This simplified SAR approach may be useful to qualitative SAR recognition problems in a variety of data sets. PMID:18234502

  6. Structure-activity relationship analysis of N-benzoylpyrazoles for elastase inhibitory activity: a simplified approach using atom pair descriptors.

    PubMed

    Khlebnikov, Andrei I; Schepetkin, Igor A; Quinn, Mark T

    2008-03-15

    Previously, we utilized high throughput screening of a chemical diversity library to identify potent inhibitors of human neutrophil elastase and found that many of these compounds had N-benzoylpyrazole core structures. We also found individual ring substituents had significant impact on elastase inhibitory activity and compound stability. In the present study, we utilized computational structure-activity relationship (SAR) analysis of a series of 53 N-benzoylpyrazole derivatives to further optimize these lead molecules. We present an improved approach to SAR methodology based on atom pair descriptors in combination with 2-dimensional (2D) molecular descriptors. This approach utilizes the rich representation of chemical structure and leads to SAR analysis that is both accurate and intuitively easy to understand. A sequence of ANOVA, linear discriminant, and binary classification tree analyses of the molecular descriptors led to the derivation of SAR rule-based algorithms. These rules revealed that the main factors influencing elastase inhibitory activity of N-benzoylpyrazole molecules were the presence of methyl groups in the pyrazole moiety and ortho-substituents in the benzoyl radical. Furthermore, our data showed that physicochemical characteristics (energy of frontier molecular orbitals, molar refraction, lipophilicity) were not necessary for achieving good SAR, as comparable quality of SAR classification was obtained with atom pairs and 2D descriptors only. This simplified SAR approach may be useful to qualitative SAR recognition problems in a variety of data sets. PMID:18234502

  7. ACTIVE GALACTIC NUCLEUS PAIRS FROM THE SLOAN DIGITAL SKY SURVEY. I. THE FREQUENCY ON {approx}5-100 kpc SCALES

    SciTech Connect

    Liu Xin; Shen Yue; Strauss, Michael A.; Hao Lei

    2011-08-20

    Galaxy-galaxy mergers and close interactions have long been regarded as a viable mechanism for channeling gas toward the central supermassive black holes (SMBHs) of galaxies which are triggered as active galactic nuclei (AGNs). AGN pairs, in which the central SMBHs of a galaxy merger are both active, are expected to be common from such events. We conduct a systematic study of 1286 AGN pairs at z-bar {approx}0.1 with line-of-sight velocity offsets {Delta}v < 600 km s{sup -1} and projected separations r{sub p} < 100 h{sup -1}{sub 70} kpc, selected from the Seventh Data Release of the Sloan Digital Sky Survey (SDSS). This AGN pair sample was drawn from 138,070 AGNs optically identified based on diagnostic emission line ratios and/or line widths. The fraction of AGN pairs with 5 h{sup -1}{sub 70} kpc {approx}< r{sub p} < 100 h{sup -1}{sub 70} kpc among all spectroscopically selected AGNs at 0.02 < z < 0.16 is 3.6% after correcting for SDSS spectroscopic incompleteness; {approx}30% of these pairs show morphological tidal features in their SDSS images, and the fraction becomes {approx}> 80% for pairs with the brightest nuclei. Our sample increases the number of known AGN pairs on these scales by more than an order of magnitude. We study their AGN and host-galaxy star formation properties in a companion paper.

  8. Changing ionization conditions in SDSS galaxies with active galactic nuclei as a function of environment from pairs to clusters

    SciTech Connect

    Khabiboulline, Emil T.; Steinhardt, Charles L.; Silverman, John D.; Ellison, Sara L.; Mendel, J. Trevor; Patton, David R.

    2014-11-01

    We study how active galactic nucleus (AGN) activity changes across environments from galaxy pairs to clusters using 143,843 galaxies with z < 0.2 from the Sloan Digital Sky Survey. Using a refined technique, we apply a continuous measure of AGN activity, characteristic of the ionization state of the narrow-line emitting gas. Changes in key emission-line ratios ([N II] λ6548/Hα, [O III] λ5007/Hβ) between different samples allow us to disentangle different environmental effects while removing contamination. We confirm that galaxy interactions enhance AGN activity. However, conditions in the central regions of clusters are inhospitable for AGN activity even if galaxies are in pairs. These results can be explained through models of gas dynamics in which pair interactions stimulate the transfer of gas to the nucleus and clusters suppress gas availability for accretion onto the central black hole.

  9. Changing Ionization Conditions in SDSS Galaxies with Active Galactic Nuclei as a Function of Environment from Pairs to Clusters

    NASA Astrophysics Data System (ADS)

    Khabiboulline, Emil T.; Steinhardt, Charles L.; Silverman, John D.; Ellison, Sara L.; Mendel, J. Trevor; Patton, David R.

    2014-11-01

    We study how active galactic nucleus (AGN) activity changes across environments from galaxy pairs to clusters using 143,843 galaxies with z < 0.2 from the Sloan Digital Sky Survey. Using a refined technique, we apply a continuous measure of AGN activity, characteristic of the ionization state of the narrow-line emitting gas. Changes in key emission-line ratios ([N II] λ6548/Hα, [O III] λ5007/Hβ) between different samples allow us to disentangle different environmental effects while removing contamination. We confirm that galaxy interactions enhance AGN activity. However, conditions in the central regions of clusters are inhospitable for AGN activity even if galaxies are in pairs. These results can be explained through models of gas dynamics in which pair interactions stimulate the transfer of gas to the nucleus and clusters suppress gas availability for accretion onto the central black hole.

  10. Evaluation of antioxidant activity and electronic structure of aspirin and paracetamol

    NASA Astrophysics Data System (ADS)

    Motozaki, W.; Nagatani, Y.; Kimura, Y.; Endo, K.; Takemura, T.; Kurmaev, E. Z.; Moewes, A.

    2011-01-01

    We present a study of electronic structure, chemical bonding, and antioxidant activity of phenolic antioxidants (aspirin and paracetamol). X-ray photoelectron and emission spectra of the antioxidants have been simulated by deMon density functional theory (DFT) calculations of the molecules. The chemical bonding of aspirin is characterized by the formation of oxygen 'lone-pair' π-orbitals which can neutralize free radicals and thus be related to antioxidant properties of the drug. In the case of paracetamol the additional nitrogen 'lone pair' is formed which can explain toxicity of the drug. We propose an evaluation method of antioxidant activity based on the relationship between experimental half-wave oxidation potential ( Ep/2 ) and calculated ionization potentials ( IP) by the DFT calculations, and can conclude that paracetamol has the higher antioxidant activity than aspirin.

  11. Structural dynamics and activity of nanocatalysts inside fuel cells by in operando atomic pair distribution studies

    NASA Astrophysics Data System (ADS)

    Petkov, Valeri; Prasai, Binay; Shan, Shiyao; Ren, Yang; Wu, Jinfang; Cronk, Hannah; Luo, Jin; Zhong, Chuan-Jian

    2016-05-01

    Here we present the results from a study aimed at clarifying the relationship between the atomic structure and activity of nanocatalysts for chemical reactions driving fuel cells, such as the oxygen reduction reaction (ORR). In particular, using in operando high-energy X-ray diffraction (HE-XRD) we tracked the evolution of the atomic structure and activity of noble metal-transition metal (NM-TM) nanocatalysts for ORR as they function at the cathode of a fully operational proton exchange membrane fuel cell (PEMFC). Experimental HE-XRD data were analysed in terms of atomic pair distribution functions (PDFs) and compared to the current output of the PEMFC, which was also recorded during the experiments. The comparison revealed that under actual operating conditions, NM-TM nanocatalysts can undergo structural changes that differ significantly in both length-scale and dynamics and so can suffer losses in their ORR activity that differ significantly in both character and magnitude. Therefore we argue that strategies for reducing ORR activity losses should implement steps for achieving control not only over the length but also over the time-scale of the structural changes of NM-TM NPs that indeed occur during PEMFC operation. Moreover, we demonstrate how such a control can be achieved and thereby the performance of PEMFCs improved considerably. Last but not least, we argue that the unique capabilities of in operando HE-XRD coupled to atomic PDF analysis to characterize active nanocatalysts inside operating fuel cells both in a time-resolved manner and with atomic level resolution, i.e. in 4D, can serve well the ongoing search for nanocatalysts that deliver more with less platinum.Here we present the results from a study aimed at clarifying the relationship between the atomic structure and activity of nanocatalysts for chemical reactions driving fuel cells, such as the oxygen reduction reaction (ORR). In particular, using in operando high-energy X-ray diffraction (HE

  12. Are intramolecular frustrated Lewis pairs also intramolecular catalysts? A theoretical study on H2 activation.

    PubMed

    Zeonjuk, Lei Liu; St Petkov, Petko; Heine, Thomas; Röschenthaler, Gerd-Volker; Eicher, Johannes; Vankova, Nina

    2015-04-28

    We investigate computationally a series of intramolecular frustrated Lewis pairs (FLPs), with the general formula Mes2PCHRCH2B(C6F5)2, that are known from the literature to either activate molecular hydrogen (FLPs with R = H (1) or Me (4)), or remain inert (FLPs with R = Ph (2) or SiMe3 (3)). The prototypical system Mes2PCH2CH2B(C6F5)2 (1) has been described in the literature (Grimme et al., Angew. Chem., Int. Ed., 2010; Rokob et al., J. Am. Chem. Soc., 2013) as an intramolecular reactant that triggers the reaction with H2 in a bimolecular concerted fashion. In the current study, we show that the concept of intramolecular H2 activation by linked FLPs is not able to explain the inertness of the derivative compounds 2 and 3 towards H2. To cope with this, we propose an alternative intermolecular mechanism for the investigated reaction, assuming stacking of two open-chain FLP conformers, and formation of a dimeric reactant with two Lewis acid–base domains, that can split up to two hydrogen molecules. Using quantum-chemical methods, we compute the reaction profiles describing these alternative mechanisms, and compare the derived predictions with earlier reported experimental results. We show that only the concept of intermolecular H2 activation could explain both the activity of the FLPs having small substituents in the bridging molecular region, and the inertness of the FLPs with a bulkier substitution, in a consistent way. Importantly, the intermolecular H2 activation driven by intramolecular FLPs indicates the key role of steric factors and noncovalent interactions for the design of metal-free systems that can efficiently split H2, and possibly serve as metal-free hydrogenation catalysts. PMID:25812167

  13. Structural dynamics and activity of nanocatalysts inside fuel cells by in operando atomic pair distribution studies.

    PubMed

    Petkov, Valeri; Prasai, Binay; Shan, Shiyao; Ren, Yang; Wu, Jinfang; Cronk, Hannah; Luo, Jin; Zhong, Chuan-Jian

    2016-05-19

    Here we present the results from a study aimed at clarifying the relationship between the atomic structure and activity of nanocatalysts for chemical reactions driving fuel cells, such as the oxygen reduction reaction (ORR). In particular, using in operando high-energy X-ray diffraction (HE-XRD) we tracked the evolution of the atomic structure and activity of noble metal-transition metal (NM-TM) nanocatalysts for ORR as they function at the cathode of a fully operational proton exchange membrane fuel cell (PEMFC). Experimental HE-XRD data were analysed in terms of atomic pair distribution functions (PDFs) and compared to the current output of the PEMFC, which was also recorded during the experiments. The comparison revealed that under actual operating conditions, NM-TM nanocatalysts can undergo structural changes that differ significantly in both length-scale and dynamics and so can suffer losses in their ORR activity that differ significantly in both character and magnitude. Therefore we argue that strategies for reducing ORR activity losses should implement steps for achieving control not only over the length but also over the time-scale of the structural changes of NM-TM NPs that indeed occur during PEMFC operation. Moreover, we demonstrate how such a control can be achieved and thereby the performance of PEMFCs improved considerably. Last but not least, we argue that the unique capabilities of in operando HE-XRD coupled to atomic PDF analysis to characterize active nanocatalysts inside operating fuel cells both in a time-resolved manner and with atomic level resolution, i.e. in 4D, can serve well the ongoing search for nanocatalysts that deliver more with less platinum. PMID:27160891

  14. Lewis base activation of borane-dimethylsulfide into strongly reducing ion pairs for the transformation of carbon dioxide to methoxyboranes.

    PubMed

    Légaré, Marc-André; Courtemanche, Marc-André; Fontaine, Frédéric-Georges

    2014-10-01

    The hydroboration of carbon dioxide into methoxyboranes by borane-dimethylsulfide using different base catalysts is described. A non-nucleophilic proton sponge is found to be the most active catalyst, with TOF reaching 64 h(-1) at 80 °C, and is acting via the activation of BH3·SMe2 into a boronium-borohydride ion pair. PMID:25164269

  15. Pair and Cluster Formation in Hybrid Active-Passive Matter Suspensions

    NASA Astrophysics Data System (ADS)

    Krafnick, Ryan; Garcia, Angel

    2015-03-01

    Systems composed of self-propelling entities, dubbed active matter, are ubiquitous in nature, from flocks of birds and schools of fish to swarms of bacteria and catalytic nanomotors. These systems (both biological and industrial) have applications ranging from micron-scale cargo manipulation and directed transport to water remediation and material processing. When added to a solution with passive (non-self-propelling) particles, active matter leads to new and altered system properties. For example, the diffusion of passive particles increases by orders of magnitude in typical systems, leading to a raised effective temperature. Additionally, particles that normally repel each other exhibit effective attractions which can lead to pair formation and clustering. The nature of these effects depends on both the mechanical collisions of swimmers and the hydrodynamic flow fields they propagate. We computationally examine the effect and dependence of various system parameters, such as particle shape and density, on these properties. This work was funded by NIH grant GM086801 and NSF grant MCB-1050966.

  16. Peroxidase-like activity of apoferritin paired gold clusters for glucose detection.

    PubMed

    Jiang, Xin; Sun, Cuiji; Guo, Yi; Nie, Guangjun; Xu, Li

    2015-02-15

    The discovery and application of noble metal nanoclusters have received considerable attention. In this paper, we reported that apoferritin paired gold clusters (Au-Ft) could efficiently catalyze oxidation of 3.3',5.5'-tetramethylbenzidine (TMB) by H2O2 to produce a blue color reaction. Compared with natural enzyme, Au-Ft exhibited higher activity near acidic pH and could be used over a wide range of temperatures. Apoferritin nanocage enhanced the reaction activity of substrate TMB by H2O2. The reaction catalyzed by Au-Ft was found to follow a typical Michaelis-Menten kinetics. The kinetic parameters exhibited a lower K(m) value (0.097 mM) and a higher K(cat) value (5.8 × 10(4) s(-1)) for TMB than that of horse radish peroxidase (HRP). Base on these findings, Au-Ft, acting as a peroxidase mimetic, performed enzymatic spectrophotometric analysis of glucose. This system exhibited acceptable reproducibility and high selectivity in biosening, suggesting that it could have promising applications in the future. PMID:25218100

  17. Ligand-induced activation of a formin–NPF pair leads to collaborative actin nucleation

    PubMed Central

    Graziano, Brian R.; Jonasson, Erin M.; Pullen, Jessica G.; Gould, Christopher J.

    2013-01-01

    Formins associate with other nucleators and nucleation-promoting factors (NPFs) to stimulate collaborative actin assembly, but the mechanisms regulating these interactions have been unclear. Yeast Bud6 has an established role as an NPF for the formin Bni1, but whether it also directly regulates the formin Bnr1 has remained enigmatic. In this paper, we analyzed NPF-impaired alleles of bud6 in a bni1Δ background and found that Bud6 stimulated Bnr1 activity in vivo. Furthermore, Bud6 bound directly to Bnr1, but its NPF effects were masked by a short regulatory sequence, suggesting that additional factors may be required for activation. We isolated a novel in vivo binding partner of Bud6, Yor304c-a/Bil1, which colocalized with Bud6 and functioned in the Bnr1 pathway for actin assembly. Purified Bil1 bound to the regulatory sequence in Bud6 and triggered NPF effects on Bnr1. These observations define a new mode of formin regulation, which has important implications for understanding NPF-nucleator pairs in diverse systems. PMID:23671312

  18. Active destabilization of base pairs by a DNA glycosylase wedge initiates damage recognition

    PubMed Central

    Kuznetsov, Nikita A.; Bergonzo, Christina; Campbell, Arthur J.; Li, Haoquan; Mechetin, Grigory V.; de los Santos, Carlos; Grollman, Arthur P.; Fedorova, Olga S.; Zharkov, Dmitry O.; Simmerling, Carlos

    2015-01-01

    Formamidopyrimidine-DNA glycosylase (Fpg) excises 8-oxoguanine (oxoG) from DNA but ignores normal guanine. We combined molecular dynamics simulation and stopped-flow kinetics with fluorescence detection to track the events in the recognition of oxoG by Fpg and its mutants with a key phenylalanine residue, which intercalates next to the damaged base, changed to either alanine (F110A) or fluorescent reporter tryptophan (F110W). Guanine was sampled by Fpg, as evident from the F110W stopped-flow traces, but less extensively than oxoG. The wedgeless F110A enzyme could bend DNA but failed to proceed further in oxoG recognition. Modeling of the base eversion with energy decomposition suggested that the wedge destabilizes the intrahelical base primarily through buckling both surrounding base pairs. Replacement of oxoG with abasic (AP) site rescued the activity, and calculations suggested that wedge insertion is not required for AP site destabilization and eversion. Our results suggest that Fpg, and possibly other DNA glycosylases, convert part of the binding energy into active destabilization of their substrates, using the energy differences between normal and damaged bases for fast substrate discrimination. PMID:25520195

  19. Differential Water Mite Parasitism, Phenoloxidase Activity, and Resistance to Mites Are Unrelated across Pairs of Related Damselfly Species

    PubMed Central

    Mlynarek, Julia J.; Iserbyt, Arne; Nagel, Laura; Forbes, Mark R.

    2015-01-01

    Related host species often demonstrate differences in prevalence and/or intensity of infection by particular parasite species, as well as different levels of resistance to those parasites. The mechanisms underlying this interspecific variation in parasitism and resistance expression are not well understood. Surprisingly, few researchers have assessed relations between actual levels of parasitism and resistance to parasites seen in nature across multiple host species. The main goal of this study was to determine whether interspecific variation in resistance against ectoparasitic larval water mites either was predictive of interspecific variation in parasitism for ten closely related species of damselflies (grouped into five “species pairs”), or was predicted by interspecific variation in a commonly used measure of innate immunity (total Phenoloxidase or potential PO activity). Two of five species pairs had interspecific differences in proportions of individuals resisting larval Arrenurus water mites, only one of five species pairs had species differences in prevalence of larval Arrenurus water mites, and another two of five species pairs showed species differences in mean PO activity. Within the two species pairs where species differed in proportion of individuals resisting mites the species with the higher proportion did not have correspondingly higher PO activity levels. Furthermore, the proportion of individuals resisting mites mirrored prevalence of parasitism in only one species pair. There was no interspecific variation in median intensity of mite infestation within any species pair. We conclude that a species’ relative ability to resist particular parasites does not explain interspecific variation in parasitism within species pairs and that neither resistance nor parasitism is reflected by interspecific variation in total PO or potential PO activity. PMID:25658982

  20. Remedial investigation and feasibility study Point Lonely Radar Installation, Alaska. Volume 1. Appendices a - c. Final report, January 1995-April 1996

    SciTech Connect

    1996-04-01

    This report presents the findings of Remedial Investigations and Feasibility Studies at sites located at the Point Lonely radar installation in northern Alaska. The sites were characterized based on sampling and analyses conducted during Remedial Investigation activities performed during August and September 1993.

  1. Early Life Manipulations of the Nonapeptide System Alter Pair Maintenance Behaviors and Neural Activity in Adult Male Zebra Finches

    PubMed Central

    Baran, Nicole M.; Tomaszycki, Michelle L.; Adkins-Regan, Elizabeth

    2016-01-01

    Adult zebra finches (T. guttata) form socially monogamous pair bonds characterized by proximity, vocal communication, and contact behaviors. In this experiment, we tested whether manipulations of the nonapeptide hormone arginine vasotocin (AVT, avian homolog of vasopressin) and the V1a receptor (V1aR) early in life altered species-typical pairing behavior in adult zebra finches of both sexes. Although there was no effect of treatment on the tendency to pair in either sex, males in different treatments exhibited profoundly different profiles of pair maintenance behavior. Following a brief separation, AVT-treated males were highly affiliative with their female partner but sang very little compared to Controls. In contrast, males treated with a V1aR antagonist sang significantly less than Controls, but did not differ in affiliation. These effects on behavior in males were also reflected in changes in the expression of V1aR and immediate early gene activity in three brain regions known to be involved in pairing behavior in birds: the medial amygdala, medial bed nucleus of the stria terminalis, and the lateral septum. AVT males had higher V1aR expression in the medial amygdala than both Control and antagonist-treated males and immediate early gene activity of V1aR neurons in the medial amygdala was positively correlated with affiliation. Antagonist treated males showed decreased activity in the medial amygdala. In addition, there was a negative correlation between the activity of V1aR cells in the medial bed nucleus of the stria terminalis and singing. Treatment also affected the expression of V1aR and activity in the lateral septum, but this was not correlated with any behaviors measured. These results provide evidence that AVT and V1aR play developmental roles in specific pair maintenance behaviors and the neural substrate underlying these behaviors in a bird. PMID:27065824

  2. Early Life Manipulations of the Nonapeptide System Alter Pair Maintenance Behaviors and Neural Activity in Adult Male Zebra Finches.

    PubMed

    Baran, Nicole M; Tomaszycki, Michelle L; Adkins-Regan, Elizabeth

    2016-01-01

    Adult zebra finches (T. guttata) form socially monogamous pair bonds characterized by proximity, vocal communication, and contact behaviors. In this experiment, we tested whether manipulations of the nonapeptide hormone arginine vasotocin (AVT, avian homolog of vasopressin) and the V1a receptor (V1aR) early in life altered species-typical pairing behavior in adult zebra finches of both sexes. Although there was no effect of treatment on the tendency to pair in either sex, males in different treatments exhibited profoundly different profiles of pair maintenance behavior. Following a brief separation, AVT-treated males were highly affiliative with their female partner but sang very little compared to Controls. In contrast, males treated with a V1aR antagonist sang significantly less than Controls, but did not differ in affiliation. These effects on behavior in males were also reflected in changes in the expression of V1aR and immediate early gene activity in three brain regions known to be involved in pairing behavior in birds: the medial amygdala, medial bed nucleus of the stria terminalis, and the lateral septum. AVT males had higher V1aR expression in the medial amygdala than both Control and antagonist-treated males and immediate early gene activity of V1aR neurons in the medial amygdala was positively correlated with affiliation. Antagonist treated males showed decreased activity in the medial amygdala. In addition, there was a negative correlation between the activity of V1aR cells in the medial bed nucleus of the stria terminalis and singing. Treatment also affected the expression of V1aR and activity in the lateral septum, but this was not correlated with any behaviors measured. These results provide evidence that AVT and V1aR play developmental roles in specific pair maintenance behaviors and the neural substrate underlying these behaviors in a bird. PMID:27065824

  3. Dimeric aluminum-phosphorus compounds as masked frustrated Lewis pairs for small molecule activation.

    PubMed

    Roters, Steffi; Appelt, Christian; Westenberg, Hauke; Hepp, Alexander; Slootweg, J Chris; Lammertsma, Koop; Uhl, Werner

    2012-08-14

    Hydroalumination of aryldialkynylphosphines RP(C≡C-(t)Bu)(2) (R = Ph, Mes) with equimolar quantities of diethylaluminum hydride afforded mixed alkenyl-alkynyl cyclic dimers in which the dative aluminum-phosphorus bonds are geminal to the exocyclic alkenyl groups. Addition of triethylaluminum to isolated 1 (R = Ph) or to the in situ generated species (R = Mes) caused diethylaluminum ethynide elimination to yield the arylethylphosphorus dimers 2 and 3. These possess a chair-like Al(2)C(2)P(2) heterocycle with intermolecular Al-P interactions. The boat conformation (4) was obtained by the reaction of (t)Bu-P(C≡C-(t)Bu)(2) with di(tert-butyl)aluminum hydride. Despite being dimeric, 2 behaves as a frustrated Lewis pair and activates small molecules. The reaction with carbon dioxide gave cis/trans isomeric AlPC(2)O heterocycles that differ only by the configuration of the exocyclic alkenyl unit. Four isomers resulted from the reaction with phenyl isocyanate. This is caused by cis/trans isomerization of the initial C=O adduct and subsequent rearrangement to the AlPC(2)N heterocycle, being the C=N adduct. PMID:22411491

  4. Enzyme hyperactivity in AOT water-in-oil microemulsions is induced by 'lone' sodium counterions in the water-pool.

    PubMed

    Oldfield, Christopher; Freedman, Robert B; Robinson, Brian H

    2005-01-01

    Water-in-oil microemulsions are thermodynamically stable single-phase dispersions of water and surfactant within a continuous oil phase. The classical ternary system, based on the surfactant sodium bis(2-ethylhexyl)sulfosuccinate ('AOT'), water and an alkane such as n-heptane, is an optically transparent monodispersion of spherical water-droplets coated with a close-packed surfactant monolayer and the droplet radius is, to a good first approximation, directly proportional to the molar water: surfactant ratio, R. Enzymes dissolved in the water droplets retain activity and stability. These systems have attracted interest as media for biotransformations. Principally based upon studies in AOT-stabilized w/o microemulsions, a peculiar feature of the kinetics of enzyme-catalyzed reactions has long been apparent: the reaction rate characteristically increases from around zero at R=3, through a maximum, in the range R= 10-20, and thereafter decreases again, so that plots of rate vs. R are characteristically 'bell-shaped'. Furthermore, at optimal R, enzymes seem to be 'hyperactive', i.e., they are more active, by a modest but significant factor of 2-3-fold, than in aqueous solution. In this paper we propose the hypothesis that this kind of R-dependence arises because of the presence of freely mobile lone surfactant counterions (Na+) within the water-pool. These ions have no charge partners within the water pool and consequently have a high electrochemical potential. According to our model, lone counterions facilitate the hydrolysis of ester or amide substrates, for example, by stabilizing the tetrahedral intermediate formed during the reaction through ion-pairing with the carbonyl oxygen of the substrate, thus facilitating transfer of negative charge from the carbonyl carbon as it is attacked by the incoming nucleophile. An expression for the relationship between the concentration of free counterions in the water-pool and the compositional parameter R leads directly

  5. Selecting object pairs for action: Is the active object always first?

    PubMed

    Laverick, Rosanna; Wulff, Melanie; Honisch, Juliane J; Chua, Wei Ling; Wing, Alan M; Rotshtein, Pia

    2015-08-01

    Perception is linked to action via two routes: a direct route based on affordance information in the environment and an indirect route based on semantic knowledge about objects. The present study explored the factors modulating the recruitment of the two routes, in particular which factors affecting the selection of paired objects. In Experiment 1, we presented real objects among semantically related or unrelated distracters. Participants had to select two objects that can interact. The presence of distracters affected selection times, but not the semantic relations of the objects with the distracters. Furthermore, participants first selected the active object (e.g. teaspoon) with their right hand, followed by the passive object (e.g. mug), often with their left hand. In Experiment 2, we presented pictures of the same objects with no hand grip, congruent or incongruent hand grip. Participants had to decide whether the two objects can interact. Action decisions were faster when the presentation of the active object preceded the presentation of the passive object, and when the grip was congruent. Interestingly, participants were slower when the objects were semantically but not functionally related; this effect increased with congruently gripped objects. Our data showed that action decisions in the presence of strong affordance cues (real objects, pictures of congruently gripped objects) relied on sensory-motor representation, supporting the direct route from perception-to-action that bypasses semantic knowledge. However, in the case of weak affordance cues (pictures), semantic information interfered with action decisions, indicating that semantic knowledge impacts action decisions. The data support the dual-route account from perception-to-action. PMID:25929555

  6. Cultural differences in children's pair collaboration: Engaging fluidly versus managing individual agendas in a computer programming activity

    NASA Astrophysics Data System (ADS)

    Ruvalcaba, Omar

    This dissertation analyzes cultural aspects of fluidity in children's collaboration during a computer programming activity. Pairs of 8- to- 11-year-old children, 25 U.S. Mexican-heritage and 25 European American, were invited to work on a computer programming activity. Ten minutes of their collaboration were analyzed for cultural differences in how much time the pairs spent collaborating fluidly or working using individual agendas. Pairs of children from both cultural backgrounds spent substantial time collaborating by building on each other's ideas with proposals. However, U.S. Mexican-heritage pairs spent significantly more time in fluid synchrony, with anticipation of each other's contributions, compared to European American pairs, who spent more time resisting partner contributions, negotiating whose idea should be used, and bossing their partner to implement their plan. Thus, children of both backgrounds collaborated; however, the Mexican-heritage children collaborated more and their collaboration included a particularly fluid, seamless approach that was rare among European American children.

  7. Synergistic Effects of Six Chronic Disease Pairs on Decreased Physical Activity: The SMILE Cohort Study

    PubMed Central

    Dörenkamp, Sarah; Mesters, Ilse; Vos, Rein; Schepers, Jan; van den Akker, Marjan; Teijink, Joep; de Bie, Rob

    2016-01-01

    Little is known about whether and how two chronic diseases interact with each other in modifying the risk of physical inactivity. The aim of the present study is to identify chronic disease pairs that are associated with compliance or noncompliance with the Dutch PA guideline recommendation and to study whether specific chronic disease pairs indicate an extra effect on top of the effects of the diseases individually. Cross-sectional data from 3,386 participants of cohort study SMILE were used and logistic regression analysis was performed to study the joint effect of the two diseases of each chronic disease pair for compliance with the Dutch PA guideline. For six chronic disease pairs, patients suffering from both diseases belonging to these disease pairs in question show a higher probability of noncompliance to the Dutch PA guideline, compared to what one would expect based on the effects of each of the two diseases alone. These six chronic disease pairs were chronic respiratory disease and severe back problems; migraine and inflammatory joint disease; chronic respiratory disease and severe kidney disease; chronic respiratory disease and inflammatory joint disease; inflammatory joint disease and rheumatoid arthritis; and rheumatoid arthritis and osteoarthritis of the knees, hips, and hands. PMID:27274994

  8. Suppression of EMG activity by subthreshold paired-pulse transcranial magnetic stimulation to the leg motor cortex.

    PubMed

    Roy, François D

    2009-03-01

    Cortical activity driving a voluntary muscle contraction is inhibited by very low-intensity transcranial magnetic stimulation (TMS) and is reflected in the suppression of the average rectified EMG. This approach offers a method to test the contribution of cortical neurons actively involved in a motor task, but requires a large number of stimuli (approximately 100) to suitably depress the average EMG. Here, we investigated whether two pulses of subthreshold TMS at interstimulus intervals (ISIs) ranging between 1 and 12 ms could enhance the amount of EMG suppression in the tibialis anterior muscle compared to a single pulse. Pairs of subthreshold TMS at an ISI of 7 ms produced the maximum EMG suppression that was 42% more than the inhibition elicited using a single pulse. In addition, the signal-to-noise ratio of the TMS-induced suppression was further increased by a second pulse, delivered 7 ms later. The reduction in the EMG at the 7 ms paired-pulse interval occurred without any short-latency excitation suggesting that the two stimuli increased the activation of cortical inhibitory neurons. Subthreshold paired-pulse TMS at ISIs of 1-3 ms was prone to EMG excitation in the period that immediately preceded the inhibition and is consistent with the recruitment of short-interval intracortical facilitation (SICF). We propose that pairs of subthreshold TMS outside the range of SICF with an inter-pulse interval of 7 ms is optimal to inhibit ongoing cortical activity during human motor movement. PMID:19183971

  9. Does a Combination of Metaphor and Pairing Activity Help Programming Performance of Students with Different Self-Regulated Learning Level?

    ERIC Educational Resources Information Center

    Hui, Tie Hui; Umar, Irfan Naufal

    2011-01-01

    This study aims to investigate the effects of metaphors and pairing activity on programming performance of students with different self-regulated-learning (SRL) level. A total of 84 computing students were involved in this seven-week study, and they were randomly assigned either to a group that received a combination of metaphor and pair…

  10. Rabbit Ears Concepts of Water Lone Pairs: A Reply to Comments of Hiberty, Danovich, and Shaik

    ERIC Educational Resources Information Center

    Clauss, A. D.; Ayoub, M.; Moore, J. W.; Landis, C. R.; Weinhold, F.

    2015-01-01

    This article is a response to a commentary entitled "Comment on 'Rabbit-Ears Hybrids, VSEPR Sterics, and Other Orbital Anachronisms': A Reply to a Criticism," which focuses on the fundamental question of whether there exists a unique set of supposedly "real," or "best," orbitals for a given molecule. The authors of…

  11. Influence of lead(II) lone pairs on the serpentine structures for heterometallic alkoxides

    SciTech Connect

    Teff, D.J.; Huffman, J.C.; Caulton, K.G.

    1995-05-10

    Heterometallic alkoxides, M{sub a}M{sub b}{prime}(OR){sub m}, most often adopts closed polyhedral structures, in part to give suitably high coordination numbers to all metals. In general, the ratio m/(a + b) is typically low (because one or more of M and M{prime} are low valent) so that {mu}{sub 2}- and {mu}{sub 3}-OR functionalities are required, and a closed polyhedron best accommodates such demands. Thus the metals of KZr{sub 2}(O{sup i}Pr){sub 9}{sup 2} and [BaZr{sub 2}(O{sup i}Pr){sub 10}]{sub 2}{sup 3} form triangles, those of K{sub 2}Zr{sub 2}(O{sup t}Bu){sub 10}{sup 4} form a diamond, and those of K{sub 4}Zr{sub 2}O(O{sup i}Pr){sub 10}{sup 2} form an octahedron. The authors report here the very different outcome of combining Zr(IV) with the soft divalent metal Pb(II). These results demonstrate that rational synthetic control of two different stoichiometries can be effected in heterometallic alkoxide chemistry.

  12. EGI-EUDAT integration activity - Pair data and high-throughput computing resources together

    NASA Astrophysics Data System (ADS)

    Scardaci, Diego; Viljoen, Matthew; Vitlacil, Dejan; Fiameni, Giuseppe; Chen, Yin; sipos, Gergely; Ferrari, Tiziana

    2016-04-01

    EGI (www.egi.eu) is a publicly funded e-infrastructure put together to give scientists access to more than 530,000 logical CPUs, 200 PB of disk capacity and 300 PB of tape storage to drive research and innovation in Europe. The infrastructure provides both high throughput computing and cloud compute/storage capabilities. Resources are provided by about 350 resource centres which are distributed across 56 countries in Europe, the Asia-Pacific region, Canada and Latin America. EUDAT (www.eudat.eu) is a collaborative Pan-European infrastructure providing research data services, training and consultancy for researchers, research communities, research infrastructures and data centres. EUDAT's vision is to enable European researchers and practitioners from any research discipline to preserve, find, access, and process data in a trusted environment, as part of a Collaborative Data Infrastructure (CDI) conceived as a network of collaborating, cooperating centres, combining the richness of numerous community-specific data repositories with the permanence and persistence of some of Europe's largest scientific data centres. EGI and EUDAT, in the context of their flagship projects, EGI-Engage and EUDAT2020, started in March 2015 a collaboration to harmonise the two infrastructures, including technical interoperability, authentication, authorisation and identity management, policy and operations. The main objective of this work is to provide end-users with a seamless access to an integrated infrastructure offering both EGI and EUDAT services and, then, pairing data and high-throughput computing resources together. To define the roadmap of this collaboration, EGI and EUDAT selected a set of relevant user communities, already collaborating with both infrastructures, which could bring requirements and help to assign the right priorities to each of them. In this way, from the beginning, this activity has been really driven by the end users. The identified user communities are

  13. Brain activation by an olfactory stimulus paired with juvenile play in female rats.

    PubMed

    Paredes-Ramos, P; McCarthy, M M; Bowers, J M; Miquel, M; Manzo, J; Coria-Avila, G A

    2014-06-22

    We have previously shown that reward experienced during social play at juvenile age can be paired with artificial odors, and later in adulthood facilitate olfactory conditioned partner preferences (PP) in female rats. Herein, we examined the expression of FOS immunoreactivity (FOS-IR) following exposure to the odor paired with juvenile play (CS+). Starting at day P31 females received daily 30-min periods of social play with lemon-scented (paired group) or unscented females (unpaired group). At day P42, they were tested for play-PP with two juvenile males, one bearing the CS+ (lemon) and one bearing a novel odor (almond). Females were ovariectomized, hormone-primed and at day P55 tested for sexual-PP between two adult stud males scented with lemon or almond. In both tests, females from the paired group displayed conditioned PP (play or sexual) toward males bearing the CS+. In the present experiments females were exposed at day P59 to the CS+ during 60 min and their brains processed for FOS-IR. One group of female rats (Play+Sex) underwent play-PP and sexual-PP, whereas a second group of females (Play-only) underwent exclusively play-PP but not sexual-PP. Results showed that in the Play-only experiment exposure to the CS+ induced more FOS-IR in the medial prefrontal cortex, orbitofrontal cortex, dorsal striatum, and ventral tegmental area as compared to females from the unpaired group. In the Play+Sex experiment, more FOS-IR was observed in the piriform cortex, dorsal striatum, lateral septum, nucleus accumbens shell, bed nucleus of the stria terminalis and medial amygdala as compared to females from the unpaired group. Taken together, these results indicate mesocorticolimbic brain areas direct the expectation and/or choice of conditioned partners in female rats. In addition, transferring the meaning of play to sex preference requires different brain areas. PMID:24835545

  14. Enzymatically Regulated Peptide Pairing and Catalysis for the Bioanalysis of Extracellular Prometastatic Activities of Functionally Linked Enzymes

    PubMed Central

    Li, Hao; Huang, Yue; Yu, Yue; Li, Tianqi; Li, Genxi; Anzai, Jun-ichi

    2016-01-01

    Diseases such as cancer arise from systematical reconfiguration of interactions of exceedingly large numbers of proteins in cell signaling. The study of such complicated molecular mechanisms requires multiplexed detection of the inter-connected activities of several proteins in a disease-associated context. However, the existing methods are generally not well-equipped for this kind of application. Here a method for analyzing functionally linked protein activities is developed based on enzyme controlled pairing between complementary peptide helix strands, which simultaneously enables elaborate regulation of catalytic activity of the paired peptides. This method has been used to detect three different types of protein modification enzymes that participate in the modification of extracellular matrix and the formation of invasion front in tumour. In detecting breast cancer tissue samples using this method, up-regulated activity can be observed for two of the assessed enzymes, while the third enzyme is found to have a subtle fluctuation of activity. These results may point to the application of this method in evaluating prometastatic activities of proteins in tumour. PMID:27140831

  15. Geologic map of the Lone Pine 15' quadrangle, Inyo County, California

    USGS Publications Warehouse

    Stone, Paul; Dunne, George C.; Moore, James G.; Smith, George I.

    2000-01-01

    Oblique aerial view west across Owens Valley in Lone Pine 15' quadrangle. In distance, Sierra Nevada, capped by Mount Whitney (elev. 14,494 ft; 4,418 m). In middle distance, Alabama Hills, town of Lone Pine, and Owens River. In foreground, Kern Knob, at base of Inyo Mountains. Movement along Owens Valley Fault Zone, at base of Alabama Hills, caused great Lone Pine earthquake of 1872 (estimated Richter magnitude about 8). From U.S. Geological Survey photograph GS–OAI–5–13, taken November 25, 1955.

  16. Heme A synthase in bacteria depends on one pair of cysteinyls for activity.

    PubMed

    Lewin, Anna; Hederstedt, Lars

    2016-02-01

    Heme A is a prosthetic group unique for cytochrome a-type respiratory oxidases in mammals, plants and many microorganisms. The poorly understood integral membrane protein heme A synthase catalyzes the synthesis of heme A from heme O. In bacteria, but not in mitochondria, this enzyme contains one or two pairs of cysteine residues that are present in predicted hydrophilic polypeptide loops on the extracytoplasmic side of the membrane. We used heme A synthase from the eubacterium Bacillus subtilis and the hyperthermophilic archeon Aeropyrum pernix to investigate the functional role of these cysteine residues. Results with B. subtilis amino acid substituted proteins indicated the pair of cysteine residues in the loop connecting transmembrane segments I and II as being essential for catalysis but not required for binding of the enzyme substrate, heme O. Experiments with isolated A. pernix and B. subtilis heme A synthase demonstrated that a disulfide bond can form between the cysteine residues in the same loop and also between loops showing close proximity of the two loops in the folded enzyme protein. Based on the findings, we propose a classification scheme for the four discrete types of heme A synthase found so far in different organisms and propose that essential cysteinyls mediate transfer of reducing equivalents required for the oxygen-dependent catalysis of heme A synthesis from heme O. PMID:26592143

  17. A search for pair haloes around active galactic nuclei through a temporal analysis of Fermi-Large Area Telescope data

    NASA Astrophysics Data System (ADS)

    Prokhorov, D. A.; Moraghan, A.

    2016-04-01

    We develop a method to search for pair haloes around active galactic nuclei (AGN) through a temporal analysis of γ-ray data. The basis of our method is an analysis of the spatial distributions of photons coming from AGN flares and from AGN quiescent states and a further comparison of these two spatial distributions. This method can also be used for a reconstruction of a point spread function (PSF). We found no evidence for a pair halo component through this method by applying it to the Fermi-Large Area Telescope (LAT) data in the energy bands of 4.5-6, 6-10, and >10 GeV and set upper limits on the fraction of photons attributable to a pair halo component. An illustration of how to reconstruct the PSF of Fermi-LAT is given. We demonstrate that the PSF reconstructed by using this method is in good agreement with that which was obtained by using the γ-ray data taken by LAT in the direction of the Crab pulsar and nebula.

  18. Nonthermal electron-positron pair production and the 'universal' X-ray spectrum of active galactic nuclei

    NASA Technical Reports Server (NTRS)

    Zdziarski, A. A.; Lightman, A. P.

    1985-01-01

    A nonthermal model for power-law X-ray and gamma-ray sources is considered. An initial, primary distribution of relativistic electrons is injected and cooled via Compton scattering of soft photons (produced either externally or by the synchrotron mechanism). The scattered photons, constituting a primary gamma-ray source, produce electron-positron pairs that act as a secondary electron injection, which in turn produce a secondary photon spectrum. Pairs formed by a part of the photon spectrum optically thin to pair production are taken into account. The distribution of particles and photons is obtained, and numerical results as well as analytical solutions to certain special cases are presented. For the case of a delta-function primary electron injection it is found that the photon spectrum in the X-ray region is well approximated by a power law, with the energy spectral index alpha(X) lying in the relatively narrow range 0.5-0.9 as the compactness parameter L(x)/R (where L(x) is the X-ray luminosity and R is the source radius) varies over many orders of magnitude. This is proposed as a possible mechanism to explain the universal X-ray spectra observed from active galactic nuclei.

  19. The heart and brain imaging in lone atrial fibrillation - are we surprised?

    PubMed

    Shantsila, Eduard; Haeusler, Karl Georg; Fiebach, Jochen B; Breithardt, Gunter; Kirchhof, Paulus

    2015-01-01

    "Lone" atrial fibrillation (AF) is generally used to refer to patients with AF in the absence of structural heart disease. When the decision for oral anticoagulation is discussed, "lone" AF refers to patients who do not have established stroke risk factors. Imaging is often used to rule out structural heart disease, e.g. coronary artery disease, peripheral vascular disease, mitral stenosis or left ventricular (LV) dysfunction. Imaging of the heart has a central role in establishing the "lone" aspect in patients with "lone"AF, similar to the measurement of blood glucose and blood pressure: Patients with structural heart disease, defined as e.g. reduced LV ejection fraction, clinical evidence for heart failure, or evidence for coronary artery disease, will not be considered as patients with "lone" AF. The search for these conditions requires some cardiac imaging, often done by echocardiography and non-invasive tests for coronary artery disease or ischemia. Increasingly, brain imaging is used to define the clinical diagnosis of a stroke, thus also contributing to the detection of stroke risk factors. Cerebral imaging in AF patients without competing causes for silent strokes or microbleeds ("lone" AF, rather used in the context of anticoagulation, i.e. clinical absence of structural heart disease) would allow to better understand the contribution of AF to these brain lesions. The assumption that silent strokes are likely drivers of cognitive dysfunction, and the fact that microbleeds put patients at risk for intracerebral hemorrhage, illustrates the need to collect information on brain imaging. In this review article, we summarize current data on heart and brain imaging in patients with "lone" AF and discuss their clinical implications for risk assessment and management of patients with "lone" AF. PMID:25175092

  20. Effect of Paired-Pulse Electrical Stimulation on the Activity of Cortical Circuits

    PubMed Central

    Saito, Kei; Onishi, Hideaki; Miyaguchi, Shota; Kotan, Shinichi; Fujimoto, Shuhei

    2015-01-01

    Objective: We investigated the transient effect of short-duration paired-pulse electrical stimulation (ppES) on corticospinal excitability and the after-effect of long-duration ppES on excitability, short-latency afferent inhibition (SAI), and afferent facilitation (AF). Methods: A total of 28 healthy subjects participated in two different experiments. In Experiment 1, motor-evoked potentials (MEPs) were measured in the abductor pollicis brevis (APB) and abductor digiti minimi (ADM) muscles before and immediately after short-duration ppES (5 s) at various inter-pulse intervals (2, 3, 4, 5, 6, 7, 10, 15, 20, and 30 ms). In Experiment 2, MEPs, SAI, and AF were measured before, immediately, and 20 and 40 min after long-duration ppES (20 min, inter-pulse interval of 5 and 15 ms) and peripheral electrical stimulation (20 min, 10 and 20 Hz). Results: Short-duration ppES with inter-pulse intervals of 5 and 20 ms significantly increased MEP measured in APB but not in ADM. Long-duration ppES with an inter-pulse interval of 5 ms significantly decreased SAI but not MEPs in APB. In contrast, long-duration ppES did not affect ADM. Conclusion: The afferent inputs induced by ppES-5 ms were effective for transiently increasing MEP and sustaining SAI reduction. PMID:26733847

  1. Social policy as a cause of childhood accidents: the children of lone mothers.

    PubMed

    Roberts, I; Pless, B

    1995-10-01

    Almost one in five British mothers is a lone mother. Their children have injury rates that are twice those of children in two parent families. In this article the link between lone parenthood and childhood injury is examined. The increased injury rates for the children of lone mothers can be explained by the poverty, poor housing conditions, and social isolation of lone mothers in Britain. The problem of reconciling the demands of paid work with the demands of the unpaid work of childrearing is particularly difficult for lone mothers, who find themselves in a benefit dependent poverty trap. Many such mothers would seek paid work if affordable day care were available. Day care would also provide a safe environment for their children, who are otherwise exposed to the environmental hazards of poor housing. Provision of day care is a social policy that would have important effects on the health and welfare of lone mothers and their children. These effects deserve to be properly evaluated. PMID:7580554

  2. Reconstitution of biologically active 50S ribosomal subunits with artificial 5S RNA molecules carrying disturbances in the base pairing within the molecular stalk.

    PubMed Central

    Raué, H A; Lorenz, S; Erdmann, V A; Planta, R J

    1981-01-01

    Bacillus stearothermophilus 50S ribosomal subunits were reconstituted in vitro using artificial 5S RNA molecules constructed by combining parts of major and minor type (Raué et al. (1976) Europ. J. Biochem. 68, 169-176) B. licheniformis 5S RNA. The artificial 5S RNA molecules carry defined disturbances (A.C juxtapositions and extra G.U pairs) in the base pairing between the 5'- and 3'-terminal sequences of the molecule (the molecular stalk region). The biological activity of the reconstituted subunits was determined in an E. coli cell-free system programmed with poly-U. The results show that conservation of the base pairing within the molecular stalk is not required for biological activity of 5S RNA. Disturbances of the base pairing within this region do reduce the rate of reconstitution, however. Normal base pairing in the molecular stalk is thus required to ensure efficient ribosome assembly. PMID:6164987

  3. First-principles prediction of kink-pair activation enthalpy on screw dislocations in bcc transition metals: V, Nb, Ta, Mo, W, and Fe

    NASA Astrophysics Data System (ADS)

    Dezerald, L.; Proville, L.; Ventelon, Lisa; Willaime, F.; Rodney, D.

    2015-03-01

    The atomistic study of kink pairs on screw dislocations in body-centered cubic (bcc) metals is challenging because interatomic potentials in bcc metals still lack accuracy and kink pairs require too many atoms to be modeled by first principles. Here, we circumvent this difficulty using a one-dimensional line tension model whose parameters, namely the line tension and Peierls barrier, are reachable to density functional theory calculations. The model parameterized in V, Nb, Ta, Mo, W, and Fe, is used to study the kink-pair activation enthalpy and spatial extension. Interestingly, we find that the atomistic line tension is more than twice the usual elastic estimates. The calculations also show interesting group tendencies with the line tension and kink-pair width larger in group V than in group VI elements. Finally, the present kink-pair activation energies are shown to compare qualitatively with experimental data and potential origins of quantitative discrepancies are discussed.

  4. Active vibration reduction of a flexible structure bonded with optimised piezoelectric pairs using half and quarter chromosomes in genetic algorithms

    NASA Astrophysics Data System (ADS)

    Daraji, A. H.; Hale, J. M.

    2012-08-01

    The optimal placement of sensors and actuators in active vibration control is limited by the number of candidates in the search space. The search space of a small structure discretized to one hundred elements for optimising the location of ten actuators gives 1.73 × 1013 possible solutions, one of which is the global optimum. In this work, a new quarter and half chromosome technique based on symmetry is developed, by which the search space for optimisation of sensor/actuator locations in active vibration control of flexible structures may be greatly reduced. The technique is applied to the optimisation for eight and ten actuators located on a 500×500mm square plate, in which the search space is reduced by up to 99.99%. This technique helps for updating genetic algorithm program by updating natural frequencies and mode shapes in each generation to find the global optimal solution in a greatly reduced number of generations. An isotropic plate with piezoelectric sensor/actuator pairs bonded to its surface was investigated using the finite element method and Hamilton's principle based on first order shear deformation theory. The placement and feedback gain of ten and eight sensor/actuator pairs was optimised for a cantilever and clamped-clamped plate to attenuate the first six modes of vibration, using minimization of linear quadratic index as an objective function.

  5. Paired Ig-Like Type 2 Receptor-Derived Agonist Ligands Ameliorate Inflammatory Reactions by Downregulating β1 Integrin Activity

    PubMed Central

    Lee, Kyoung-Jin; Lim, Dongyoung; Yoo, Yeon Ho; Park, Eun-Ji; Lee, Sun-Hee; Yadav, Birendra Kumar; Lee, Yong-Ki; Park, Jeong Hyun; Kim, Daejoong; Park, Kyeong Han; Hahn, Jang-Hee

    2016-01-01

    The paired immunoglobulin-like type 2 receptor (PILR) family consists of two functionally opposite members, inhibitory PILRα and activating PILRβ receptors. PILRs are widely expressed in various immune cells and interact with their ligands, especially CD99 expressed on activated T cells, to participate in immune responses. Here we investigated whether PILR-derived agonists inhibit β1 integrin activity as ligands for CD99. PILR-derived peptides as well as PILR-Fc fusion proteins prevented cell adhesion to fibronectin through the regulation of β1 integrin activity. Especially, PILRpep3, a representative 3-mer peptide covering the conserved motifs of the PILR extracellular domain, prevented the clustering and activation of β1 integrin by dephosphorylating FAK and vinculin, which are major components of focal adhesion. In addition, PILRpep3 inhibited transendothelial migration of monocytes as well as endothelial cell tube formation. Furthermore, upon intraperitoneal injection of PILRpep3 into mice with collagen-induced arthritis, the inflammatory response of rheumatoid arthritis was strongly suppressed. Taken together, these results suggest that PILR-derived agonist ligands may prevent the inflammatory reactions of rheumatoid arthritis by activating CD99. PMID:27306643

  6. Facile reversibility by design: tuning small molecule capture and activation by single component frustrated Lewis pairs.

    PubMed

    Mo, Zhenbo; Kolychev, Eugene L; Rit, Arnab; Campos, Jesús; Niu, Haoyu; Aldridge, Simon

    2015-09-30

    A series of single component FLPs has been investigated for small molecule capture, with the finding that through tuning of both the thermodynamics of binding/activation and the degree of preorganization (i.e., ΔS(⧧)) reversibility can be brought about at (or close to) room temperature. Thus, the dimethylxanthene system {(C6H4)2(O)CMe2}(PMes2)(B(C6F5)2): (i) heterolytically cleaves dihydrogen to give an equilibrium mixture of FLP and H2 activation product in solution at room temperature and (ii) reversibly captures nitrous oxide (uptake at room temperature, 1 atm; release at 323 K). PMID:26356306

  7. Is a lone right hemisphere enough? Neurolinguistic architecture in a case with a very early left hemispherectomy.

    PubMed

    Danelli, Laura; Cossu, Giuseppe; Berlingeri, Manuela; Bottini, Gabriella; Sberna, Maurizio; Paulesu, Eraldo

    2013-01-01

    We studied the linguistic profile and neurolinguistic organization of a 14-year-old adolescent (EB) who underwent a left hemispherectomy at the age of 2.5 years. After initial aphasia, his language skills recovered within 2 years, with the exception of some word finding problems. Over the years, the neuropsychological assessments showed that EB's language was near-to-normal, with the exception of lexical competence, which lagged slightly behind for both auditory and written language. Moreover, EB's accuracy and speed in both reading and writing words and non-words were within the normal range, whereas difficulties emerged in reading loan words and in tasks with homophones. EB's functional magnetic resonance imaging (fMRI) patterns for several linguistic and metalinguistic tasks were similar to those observed in the dominant hemisphere of controls, suggesting that his language network conforms to a left-like linguistic neural blueprint. However, a stronger frontal recruitment suggests that linguistic tasks are more demanding for him. Finally, no specific reading activation was found in EB's occipitotemporal region, a finding consistent with the surface dyslexia-like behavioral pattern of the patient. While a lone right hemisphere may not be sufficient to guarantee full blown linguistic competences after early hemispherectomy, EB's behavioral and fMRI patterns suggest that his lone right hemisphere followed a left-like blueprint of the linguistic network. PMID:22519521

  8. Lonely people are no longer lonely on social networking sites: the mediating role of self-disclosure and social support.

    PubMed

    Lee, Kyung-Tag; Noh, Mi-Jin; Koo, Dong-Mo

    2013-06-01

    Most previous studies assert the negative effect of loneliness on social life and an individual's well-being when individuals use the Internet. To expand this previous research tradition, the current study proposes a model to test whether loneliness has a direct or indirect effect on well-being when mediated by self-disclosure and social support. The results show that loneliness has a direct negative impact on well-being but a positive effect on self-disclosure. While self-disclosure positively influences social support, self-disclosure has no impact on well-being, and social support positively influences well-being. The results also show a full mediation effect of social support in the self-disclosure to well-being link. The results imply that even if lonely people's well-being is poor, their well-being can be enhanced through the use of SNSs, including self-presentation and social support from their friends. PMID:23621716

  9. Characterization of the monophenolase activity of tyrosinase on betaxanthins: the tyramine-betaxanthin/dopamine-betaxanthin pair.

    PubMed

    Gandía-Herrero, Fernando; Escribano, Josefa; García-Carmona, Francisco

    2005-10-01

    Tyrosinase or polyphenol oxidase (EC 1.14.18.1) is the key enzyme responsible for melanin biosynthesis and for the enzymatic browning of fruits and vegetables. Although the function of tyrosinase in the secondary metabolism of plants remains unclear, it has been proposed that the enzyme plays a role in the betalain biosynthetic pathway. Betalains are an important class of water-soluble pigments, characteristic of plants belonging to the order Caryophyllales. In the present work, the betaxanthins tyramine-betaxanthin (miraxanthin III) and dopamine-betaxanthin (miraxanthin V) are reported as new natural substrates for tyrosinase. The result of the diphenolase activity of the enzyme on dopamine-betaxanthin was a series of products identified by HPLC and ESI-MS as quinone-derivatives. Data indicate that dopamine-betaxanthin-quinone is obtained and evolves to more stable species by intramolecular cyclization. The kinetic parameters evaluated for the diphenolase activity were V(m) = 74.4 microM min(-1), K(m) = 94.7 microM. Monophenolase activity on tyramine-betaxanthin yielded the same compounds in the absence of a reducing agent, but when ascorbic acid was present enzymatic conversion to dopamine-betaxanthin could be found. For the first time, kinetic characterization of the monophenolase activity of tyrosinase on betaxanthins is provided (V(m) = 10.4 microM min(-1) and K(m) = 126.9 microM) and a lag period is described and analyzed according to the mechanism of action of the enzyme. The high affinity shown by tyrosinase for these substrates may be indicative of a previously unconsidered physiological role in betalain metabolism. A possible mechanism for the formation of 2-descarboxy-betacyanins from tyramine-betaxanthin by tyrosinase is also discussed. PMID:15968512

  10. Early base-pair fluctuations and the activation of mRNA splicing

    NASA Astrophysics Data System (ADS)

    Fernández, Ariel

    1991-05-01

    By means of multiprocessed Monte Carlo simulations we study the amplification in time structural fluctuations in sequential RNA folding concomitant with transcription. The simulations allow for an exploration of configuration space subject to the realistic time-constraints of RNA synthesis. The treatment focuses on the splicing YC4 intron as a study case. We show how an early disruption in the folding may result in a terminal structure which is active for splicing, bringing together the two cleavage sites at both ends of the intron.

  11. A Functional Polymorphism C-509T in TGFβ-1 Promoter Contributes to Susceptibility and Prognosis of Lone Atrial Fibrillation in Chinese Population

    PubMed Central

    Røe, Oluf Dimitri; Chen, Xin; Chen, Yijiang; Wang, Dongjin

    2014-01-01

    Transforming growth factor-β1 (TGF-β1) is an important mediator of atrial fibrosis and atrial fibrillation (AF). But the involved genetic mechanism is unknown. Herein, the TGF-β1 C-509T polymorphism (rs1800469) was genotyped in a case-control study of 840 patients and 845 controls in Chinese population to explore the association between the polymorphism and susceptibility and prognosis of lone AF. As a result, the CT and/or TT genotypes had an increased lone AF risk [adjusted odds ratio (OR) = 1.50 for CT, OR = 3.72 for TT, and OR = 2.15 for CT/TT], compared with the TGF-β1CC genotype. Moreover, patients carrying CT/TT genotypes showed a higher possibility of AF recurrence after catheter ablation, compared with patients carrying CC genotype. In a genotype-phenotype correlation analysis using 24 normal left atrial appendage samples, increasing gradients of atrial TGF-β1 expression levels positively correlated with atrial collagen volume fraction were identified in samples with CC, CT and TT genotypes. The in vitro luciferase assays also showed a higher luciferase activity of the -509T allele than that of the -509C allele. In conclusion, the TGF-β1 C-509T polymorphism is involved in the etiology of lone AF and thus may be a marker for genetic susceptibility to lone AF and predicting prognosis after catheter ablation in Chinese populations. Therefore, we provide new information about treatment strategies and our understanding of TGF-β1 in AF. PMID:25402477

  12. (±)-Japonones A and B, two pairs of new enantiomers with anti-KSHV activities from Hypericum japonicum

    NASA Astrophysics Data System (ADS)

    Hu, Linzhen; Zhu, Hucheng; Li, Lei; Huang, Jinfeng; Sun, Weiguang; Liu, Junjun; Li, Hua; Luo, Zengwei; Wang, Jianping; Xue, Yongbo; Zhang, Yu; Zhang, Yonghui

    2016-06-01

    Two pairs of new enantiomers with unusual 5,5-spiroketal cores, termed (±)-japonones A and B [(±)-1 and (±)-2], were obtained from Hypericum japonicum Thunb. The absolute configurations of (±)-1 and (±)-2 were characterized by extensive analyses of spectroscopic data and calculated electronic circular dichroism (ECD) spectra, the application of modified Mosher’s methods, and the assistance of quantum chemical predictions (QCP) of 13C NMR chemical shifts. Among these metabolites, (+)-1 exhibited some inhibitory activity on Kaposi’s sarcoma associated herpesvirus (KSHV). Virtual screening of (±)-1 and (±)-2 were conducted using the Surflex-Dock module in the Sybyl software, and (+)-1 exhibited ability to bind with ERK to form key interactions with residues Lys52, Pro56, Ile101, Asp165, Gly167 and Val99.

  13. (±)-Japonones A and B, two pairs of new enantiomers with anti-KSHV activities from Hypericum japonicum

    PubMed Central

    Hu, Linzhen; Zhu, Hucheng; Li, Lei; Huang, Jinfeng; Sun, Weiguang; Liu, Junjun; Li, Hua; Luo, Zengwei; Wang, Jianping; Xue, Yongbo; Zhang, Yu; Zhang, Yonghui

    2016-01-01

    Two pairs of new enantiomers with unusual 5,5-spiroketal cores, termed (±)-japonones A and B [(±)-1 and (±)-2], were obtained from Hypericum japonicum Thunb. The absolute configurations of (±)-1 and (±)-2 were characterized by extensive analyses of spectroscopic data and calculated electronic circular dichroism (ECD) spectra, the application of modified Mosher’s methods, and the assistance of quantum chemical predictions (QCP) of 13C NMR chemical shifts. Among these metabolites, (+)-1 exhibited some inhibitory activity on Kaposi’s sarcoma associated herpesvirus (KSHV). Virtual screening of (±)-1 and (±)-2 were conducted using the Surflex-Dock module in the Sybyl software, and (+)-1 exhibited ability to bind with ERK to form key interactions with residues Lys52, Pro56, Ile101, Asp165, Gly167 and Val99. PMID:27270221

  14. (±)-Japonones A and B, two pairs of new enantiomers with anti-KSHV activities from Hypericum japonicum.

    PubMed

    Hu, Linzhen; Zhu, Hucheng; Li, Lei; Huang, Jinfeng; Sun, Weiguang; Liu, Junjun; Li, Hua; Luo, Zengwei; Wang, Jianping; Xue, Yongbo; Zhang, Yu; Zhang, Yonghui

    2016-01-01

    Two pairs of new enantiomers with unusual 5,5-spiroketal cores, termed (±)-japonones A and B [(±)-1 and (±)-2], were obtained from Hypericum japonicum Thunb. The absolute configurations of (±)-1 and (±)-2 were characterized by extensive analyses of spectroscopic data and calculated electronic circular dichroism (ECD) spectra, the application of modified Mosher's methods, and the assistance of quantum chemical predictions (QCP) of (13)C NMR chemical shifts. Among these metabolites, (+)-1 exhibited some inhibitory activity on Kaposi's sarcoma associated herpesvirus (KSHV). Virtual screening of (±)-1 and (±)-2 were conducted using the Surflex-Dock module in the Sybyl software, and (+)-1 exhibited ability to bind with ERK to form key interactions with residues Lys52, Pro56, Ile101, Asp165, Gly167 and Val99. PMID:27270221

  15. Three pairs of variecolortide enantiomers from Eurotium sp. with caspase-3 inhibitory activity.

    PubMed

    Chen, Guo-Dong; Bao, Yan-Ru; Huang, Yuan-Fan; Hu, Dan; Li, Xiao-Xia; Guo, Liang-Dong; Li, Jia; Yao, Xin-Sheng; Gao, Hao

    2014-01-01

    7-O-methylvariecolortide A (1), variecolortide B (2), and variecolortide C (3), the rare variecolortides existing in racemic manner, were isolated from an endolichenic fungal strain Eurotium sp. (No. 17-11-8-1). With the chiral HPLC technology, (-)-(S)-7-O-methylvariecolortide A (1a), (+)-(R)-7-O-methylvariecolortide A (1b), (-)-(S)-variecolortide B (2a), (+)-(R)-variecolortide B (2b), (-)-(S)-variecolortide C (3a), and (+)-(R)-variecolortide C (3b) were successfully separated and obtained. Their absolute configurations were firstly assigned by ECD experiment and ECD calculation. According to the relation of isolated compounds, a plausible biosynthetic pathway for variecolortides was proposed. In caspase-3 enzymatic assay, compounds 1-3 showed inhibitory activity, with IC50 values of 1.7, 0.8 and 15.7 μM, respectively. PMID:24321580

  16. Pick a Pair. Pancake Pairs

    ERIC Educational Resources Information Center

    Miller, Pat

    2005-01-01

    Cold February weather and pancakes are a traditional pairing. Pancake Day began as a way to eat up the foods that were abstained from in Lent--traditionally meat, fat, eggs and dairy products. The best-known pancake event is The Pancake Day Race in Buckinghamshire, England, which has been run since 1445. This column describes pairs of books that…

  17. On the Origin of Muscle Synergies: Invariant Balance in the Co-activation of Agonist and Antagonist Muscle Pairs

    PubMed Central

    Hirai, Hiroaki; Miyazaki, Fumio; Naritomi, Hiroaki; Koba, Keitaro; Oku, Takanori; Uno, Kanna; Uemura, Mitsunori; Nishi, Tomoki; Kageyama, Masayuki; Krebs, Hermano Igo

    2015-01-01

    Investigation of neural representation of movement planning has attracted the attention of neuroscientists, as it may reveal the sensorimotor transformation essential to motor control. The analysis of muscle synergies based on the activity of agonist–antagonist (AA) muscle pairs may provide insight into such transformations, especially for a reference frame in the muscle space. In this study, we examined the AA concept using the following explanatory variables: the AA ratio, which is related to the equilibrium-joint angle, and the AA sum, which is associated with joint stiffness. We formulated muscle synergies as a function of AA sums, positing that muscle synergies are composite units of mechanical impedance. The AA concept can be regarded as another form of the equilibrium-point (EP) hypothesis, and it can be extended to the concept of EP-based synergies. We introduce, here, a novel tool for analyzing the neurological and motor functions underlying human movements and review some initial insights from our results about the relationships between muscle synergies, endpoint stiffness, and virtual trajectories (time series of EP). Our results suggest that (1) muscle synergies reflect an invariant balance in the co-activation of AA muscle pairs; (2) each synergy represents the basis for the radial, tangential, and null movements of the virtual trajectory in the polar coordinates centered on the specific joint at the base of the body; and (3) the alteration of muscle synergies (for example, due to spasticity or rigidity following neurological injury) results in significant distortion of endpoint stiffness and concomitant virtual trajectories. These results indicate that muscle synergies (i.e., the balance of muscle mechanical impedance) are essential for motor control. PMID:26636079

  18. Experimental study on activated carbon-nitrogen pair in a prototype pressure swing adsorption refrigeration system

    NASA Astrophysics Data System (ADS)

    Anupam, Kumar; Palodkar, Avinash V.; Halder, G. N.

    2016-04-01

    Pressure swing adsorption of nitrogen onto granular activated carbon in the single-bed adsorber-desorber chamber has been studied at six different pressures 6-18 kgf/cm2 to evaluate their performance as an alternative refrigeration technique. Refrigerating effect showed a linear rise with an increase in the operating pressure. However, the heat of adsorption and COP exhibited initial rise with the increasing operating pressure but decreased later after reaching a maximum value. The COP initially increases with operating pressures however, with the further rise of operating pressure it steadily decreased. The highest average refrigeration, maximum heat of adsorption and optimum coefficient of performance was evaluated to be 415.38 W at 18 kgf/cm2, 92756.35 J at 15 kgf/cm2 and 1.32 at 12 kgf/cm2, respectively. The system successfully produced chilled water at 1.7 °C from ambient water at 28.2 °C.

  19. Emergent Dead Vegetation and Paired Cosmogenic Isotope Constraints on Ice Cap Activity, Baffin Island, Arctic Canada

    NASA Astrophysics Data System (ADS)

    Pendleton, S.; Miller, G. H.

    2014-12-01

    Recent summer warming has now raised the equilibrium line above almost all ice caps on Baffin Island, resulting in surface lowering and marginal recession everywhere. As cold-based ice recedes it frequently exposes in situ tundra plants that were living at the time ice expanded across the site. Radiocarbon dates for each plant records when cold summers dropped regional snowline below the site, killing the plants, and snowline remained below the site until the collection date. The kill dates also represent the last time that the climate was warm enough to expose the sampling location. Seventy-six vegetation samples collected in 2013 from the Penny Ice Cap region have been dated, with significant age populations at ~0.5, 1.8, 2.3, and 3.6 ka. The absence of ages around ~1, 2, 3, 4.5, and 5.5 ka suggest periods of either no snowline depression or stability. Sixteen vegetation samples returned ages of >45 ka (2 revisited sites from 2010, 14 new). It is postulated that these radiocarbon dead samples were last exposed during the last interglaciation (~120 ka), the last time climate was as warm as present. In addition to plant collections, bedrock exposures at the ice margins were sampled for 26Al/10Be cosmogenic nuclide dating. Seven samples from and around the Penny Ice cap have returned maximum exposure ages from ~ 0.6-0.9 ma and total histories of ~0.6-1.5 ma. In general, samples from the larger Penny Ice Cap exhibited lower amounts of exposure (~20% of total history) than those samples from smaller, localized ice caps (~55%). Radiocarbon dead sites north of the Penny Ice cap experienced significantly more exposure over their lifetimes than their counterparts east of the Penny Ice cap, suggesting significant differences in local and regional land ice fluctuations over the last 2 million years. Utilizing both the method of in situ moss and 26Al/10Be dating provides new insight into both the recent activity and long-term evolution of ice on Baffin Island. In particular

  20. A Thermodynamic and Kenetic Study of the Heterolytic Activation of Hydrogen by Frustrated Borane-Amine Lewis Pairs

    SciTech Connect

    Karkamkar, Abhijeet J.; Parab, Kshitij; Camaioni, Donald M.; Neiner, Doinita; Cho, Herman M.; Nielsen, Thomas K.; Autrey, Thomas

    2013-01-21

    Calorimetry is used to measure the reaction enthalpies of hydrogen activation by 2,6-lutidine (Lut), 2,2,6,6-tetramethylpiperidine (TMP), N-methyl-2,2,6,6-tetramethylpiperidine (MeTMP) and tri-tert-butylphosphine (TBP) with tris(pentafluorophenyl)borane (BCF). At 6.6 bar H2 the conversion of the Lewis acid Lewis base pair to the corresponding ionic pair in bromobenzene at 294 K was quantitative in under 60 minutes. Integration of the heat release from the reaction of the Frustrated Lewis Pair (FLP) with hydrogen as a function of time yields a relative rate of hydrogenation in addition to the enthalpy of hydrogenation. The half-lives of hydrogenation range from 230 seconds with TMP, ΔHH2 = -31.5(0.2) kcal/mol, to 1400 seconds with Lut, ΔHH2 = -23.4(0.4) kcal/mol. The 11B NMR spectrum of B(C6F5)3 in bromobenzene exhibits three distinct traits depending on the sterics of the Lewis base; (i) in the presence of pyridine, only the dative bond adduct pyridine--B(C6F5)3 is observed, (ii) in the presence of TMP and MeTMP only the free B(C6F5)3 is observed, and (iii) in the presence of Lut both the free B(C6F5)3 and the Lut--B(C6F5)3 adduct appear in equilibrium. A measure of the change in Keq of Lut + B(C6F5)3 <->Lut--B(C6F5)3 as a function of temperature provides thermodynamic properties of the Lewis acid Lewis base adduct, ΔH = -17.9(1.0) kcal/mol and a ΔS = -49.2(2.5) cal/mol K, suggesting the Lut--B(C6F5)3 adduct is more stable in bromobenzene than in toluene. This research was supported by the U.S. Department of Energy’s Basic Energy Sciences, Division of Chemical Sciences, Biosciences and Geosciences. D.M.C. and A.K. acknowledges support by the Laboratory Directed Research and Development program at the Pacific Northwest National Laboratory (PNNL) to perform kinetic analyses of the calorimetry data. The work was performed in part at EMSL, a national scientific user facility sponsored by the DOE Office of Biological and Environmental Research. EMSL is located at

  1. Analysis of the Activation and Heterolytic Dissociation of H2 by Frustrated Lewis Pairs: NH3/BX3 (X = H, F, and Cl)

    SciTech Connect

    Camaioni, Donald M.; Ginovska-Pangovska, Bojana; Schenter, Gregory K.; Kathmann, Shawn M.; Autrey, Thomas

    2012-07-05

    We present results of our computational study aimed at understanding the mechanism of H2 activation and heterolytic dissociation by 'frustrated' Lewis pairs (FLPs). We studied the pairs of ammonia (NH3) with BH3, BF3, and most extensively, BCl3. While these pairs are capable of forming a strong dative bond, electronic structure theories make it possible to explore the potential surface in regions away from the dative complex relevant to H2 activation by frustrated Lewis pairs. We analyzed in great detail the changes that occur along the minimum energy path between the FLP and the product ion pair complex. For X = Cl, the mechanism involves a precursor complex, H3N-H2-BCl3, with a B-H-H angle of {approx}80{sup o} and nearly linear N-H-H angle. At the transition state (TS), the H2 bond is weakened but not broken, and the BCl3 moiety has undergone significant pyramidal distortion. As such, the FLP is prepared to accept the incipient proton and hydride ion on the product-side. The interaction energy of the H2 with the acid/base pair and the different contributions for the precursor and TS complex from an energy decomposition analysis expose the dominant factors affecting the reactivity. We find that structural reorganization of precursor complex plays a significant role in the 'activation' and that charge-transfer interactions are the dominant stabilizing force in the activated complex. The electric field clearly has a role in polarizing H2, but its contribution to the overall interaction energy seems to be smaller. Our detailed study of the nature of the bonding and the different types of interaction between the prototypical Lewis pair and H2 provides insight into the important components that should be taken into account when designing related systems to activate hydrogen.

  2. Structure of the 2-Aminopurine-Cytosine Base Pair Formed in the Polymerase Active Site of the RB69 Y567A-DNA Polymerase

    SciTech Connect

    Reha-Krantz, Linda J.; Hariharan, Chithra; Subuddhi, Usharani; Xia, Shuangluo; Zhao, Chao; Beckman, Jeff; Christian, Thomas; Konigsberg, William

    2011-11-21

    The adenine base analogue 2-aminopurine (2AP) is a potent base substitution mutagen in prokaryotes because of its enhanceed ability to form a mutagenic base pair with an incoming dCTP. Despite more than 50 years of research, the structure of the 2AP-C base pair remains unclear. We report the structure of the 2AP-dCTP base pair formed within the polymerase active site of the RB69 Y567A-DNA polymerase. A modified wobble 2AP-C base pair was detected with one H-bond between N1 of 2AP and a proton from the C4 amino group of cytosine and an apparent bifurcated H-bond between a proton on the 2-amino group of 2-aminopurine and the ring N3 and O2 atoms of cytosine. Interestingly, a primer-terminal region rich in AT base pairs, compared to GC base pairs, facilitated dCTP binding opposite template 2AP. We propose that the increased flexibility of the nucleotide binding pocket formed in the Y567A-DNA polymerase and increased 'breathing' at the primer-terminal junction of A+T-rich DNA facilitate dCTP binding opposite template 2AP. Thus, interactions between DNA polymerase residues with a dynamic primer-terminal junction play a role in determining base selectivity within the polymerase active site of RB69 DNA polymerase.

  3. Homologous pairs of regulatory proteins control activity of Bacillus subtilis transcription factor sigma(b) in response to environmental stress.

    PubMed Central

    Kang, C M; Brody, M S; Akbar, S; Yang, X; Price, C W

    1996-01-01

    In Bacillus subtilis, activity of the general stress transcription factor sigma B is controlled posttranslationally by a regulatory network that transmits signals of environmental and metabolic stress. These signals include heat, ethanol, or osmotic challenge, or a sharp decrease in cellular energy levels, and all ultimately control sigma B activity by influencing the binding decision of the RsbW anti-sigma factor. In the absence of stress, RsbW binds to sigma B and prevents its association with RNA polymerase core enzyme. However, following stress, RsbW binds instead to the RsbV anti-anti-sigma factor, thereby releasing sigma B to direct transcription of its target genes. These two principal regulators of sigmaB activity are encoded in the eight-gene sigB operon, which has the gene order rsbR-rsbS-rsbT-rsbU-rsbV-rsbW-sig B-rsbX (where rsb stands for regulator of sigma B). Notably, the predicted rsbS product has significant amino acid identity to the RsbV anti-anti-sigma factor and the predicted rsbT product resembles the RsbW anti-sigma factor. To determine the roles of rsbS and rsbT, null or missense mutations were constructed in the chromosomal copies or each and tested for their effects on expression of a sigma B-dependent reporter fusion. On the basis of this genetic analysis, our principal conclusions are that (i) the rsbS product is a negative regulator of or" activity, (ii) the rsbT product is a positive regulator, (iii) RsbS requires RsbT for function, and (iv) the RsbS-RsbT and RsbV-RsbW pairs act hierarchically by a common mechanism in which key protein-protein interactions are controlled by phosphorylation events. PMID:8682789

  4. Lone Atrial Fibrillation: Does It Exist? A “White Paper” of the Journal of the American College of Cardiology

    PubMed Central

    Wyse, D. George; Van Gelder, Isabelle C.; Ellinor, Patrick T.; Go, Alan S.; Kalman, Jonathan M.; Narayan, Sanjiv M.; Nattel, Stanley; Schotten, Ulrich; Rienstra, Michiel

    2014-01-01

    The historical origin of the term ‘lone atrial fibrillation (AF)’ predates by 80 years our current understanding of the pathophysiology of AF, the multitude of known etiologies for AF, and our ability to image and diagnose heart disease. The term was meant to indicate AF in whom subsequent investigations could not demonstrate heart disease, but for many practitioners has become synonymous with ‘idiopathic AF’. As the list of heart diseases has expanded and diagnostic techniques have improved, the prevalence of ‘lone AF’ has fallen. The legacy of the intervening years is that definitions of ‘lone AF’ in the literature are inconsistent such that studies of ‘lone AF’ are not comparable Guidelines provide a vague definition of ‘lone AF’ but do not provide direction about how much or what kind of imaging and other testing are necessary to exclude heart disease. There has been an explosion in the understanding of the pathophysiology of AF in the last 20 years in particular. Nevertheless, there are no apparently unique mechanisms for AF in patients categorized as ‘lone AF’. In addition, the term ‘lone AF’ is not invariably useful in making treatment decisions, and other tools for doing so have been more thoroughly and carefully validated. It is therefore recommended that use of the term ‘lone AF’ be avoided. PMID:24530673

  5. The incidence of nuclear activity in galaxy pairs with different morphologies (E+E), (E+S) and (S+S)

    NASA Astrophysics Data System (ADS)

    Hernández-Ibarra, Francisco J.; Krongold, Yair; Dultzin, Deborah; del Olmo, Ascensión; Perea, Jaime; González, Jesús; Mendoza-Castrejón, Sandro; Bitsakis, Theodoros

    2016-06-01

    We analysed 385 Sloan Digital Sky Survey Data Release 7 (SDSS-DR7) galactic spectra that belong to the catalogue of isolated pairs of galaxies by Karachentsev. The spectra correspond to physical pairs of galaxies defined by a difference in velocity ≤1200 km s-1 and a pair separation ≤100 kpc. We study the incidence of nuclear activity, both star formation and non-thermal - active galactic nuclei (AGNs). After a careful extraction of the nuclear spectra, we use diagnostic diagrams and find that the incidence of AGNs is 48 per cent in emission line paired galaxies and 40 per cent for the total sample (as compared to ˜43 per cent and 41 per cent, respectively, in a sample of isolated galaxies). These results remain after dissecting the effects of morphological type and galactic stellar mass (with only a small, non significant, enhancement of the AGN fraction in galaxy pairs). These results suggest that weak interactions are not necessary and/or sufficient to trigger low-luminosity AGN. Since the fraction of AGN is predominant in early-type spiral galaxies, we conclude that the role of a bulge, and a large gas reservoir are both essential for the triggering of nuclear activity. The most striking result is that Type 1 nuclei are absent from the AGN sample. This result is in conflict with the Unified Model, and suggests that high accretion rates are essential to form the broad line region in active galaxies.

  6. Carbon sink activity is stronger under grazing than under mowing: results from a paired eddy flux towers experiment

    NASA Astrophysics Data System (ADS)

    Pintér, Krisztina; Balogh, János; Koncz, Péter; Hidy, Dóra; Cserhalmi, Dóra; Papp, Marianna; Fóti, Szilvia; Nagy, Zoltán

    2014-05-01

    Effect of grazing vs. mowing on carbon balance of a grassland was investigated by a paired eddy towers (one of them measuring the grazed, the another the mowed treatment) experiment at the Bugacpuszta sandy grassland site (HU-Bug, 46.69° N, 19.6° E, 114m asl, 10.4 ° C annual mean temperature, 562 mm annual precipitation sum) located in the Hungarian Plain. Eddy covariance measurements started in July, 2002. The area of the mowed treatment is 1 ha, it is located within the grazed treatment (500 ha). Electric fence was set up around the selected area in spring of 2011. Study years include 2011, 2012 and 2013. The pasture is managed extensively (average grazing pressure of 0.5 cattle per hectare), the cattle herd regularly took several kilometres during a grazing day. Annual net ecosystem exchange (NEE) of the grassland is strongly limited by precipitation, there were 2 source years within the 11 years (2003-2013) of measurements, during which the average annual balance was -109 gCm-2year-1 with standard deviation of 106 gCm-2year-1. Carbon sink activity of the grassland was stronger in the grazed treatment than in the mowed treatment during the three year study period (paired t-test, P=0.058). In the grazed treatment the average sink strength was -142.8 ±40 gCm-2year-1, while in the mowed treatment the average sink strength was -61.5 ±46.5 gCm-2year-1. Differences of carbon balances between the treatments were positively correlated to the annual sum of evapotranspiration (ET), while ETs of the treatments were almost identical (differences within a 10mm year-1 range) in each study year. Water use efficiency in the mowed treatment was 44% of that in the grazed treatment (P=0.045) as a result of the differences in sink capacity. The higher sensitivity to drought by the mowed treatment manifested in decreased sink capacity during summer and in decreased regeneration capacity during autumn rains as shown by the cumulative NEE in the different years. Minor but

  7. The three-dimensional structure of "Lonely Guy" from Claviceps purpurea provides insights into the phosphoribohydrolase function of Rossmann fold-containing lysine decarboxylase-like proteins.

    PubMed

    Dzurová, Lenka; Forneris, Federico; Savino, Simone; Galuszka, Petr; Vrabka, Josef; Frébort, Ivo

    2015-08-01

    The recently discovered cytokinin (CK)-specific phosphoribohydrolase "Lonely Guy" (LOG) is a key enzyme of CK biosynthesis, converting inactive CK nucleotides into biologically active free bases. We have determined the crystal structures of LOG from Claviceps purpurea (cpLOG) and its complex with the enzymatic product phosphoribose. The structures reveal a dimeric arrangement of Rossmann folds, with the ligands bound to large pockets at the interface between cpLOG monomers. Structural comparisons highlight the homology of cpLOG to putative lysine decarboxylases. Extended sequence analysis enabled identification of a distinguishing LOG sequence signature. Taken together, our data suggest phosphoribohydrolase activity for several proteins of unknown function. PMID:26010010

  8. Winning Pairs.

    ERIC Educational Resources Information Center

    Monsour, Florence

    2000-01-01

    Mentoring programs that pair experienced and first-time teachers are gaining prominence in supporting, developing, and retaining new teachers. The successful Beginning Teacher Assistance program at University of Wisconsin-River Falls was designed to give new K-12 teachers the opportunity for yearlong, structured support from mentor teachers. (MLH)

  9. Activation of natural killer cells and dendritic cells upon recognition of a novel CD99-like ligand by paired immunoglobulin-like type 2 receptor.

    PubMed

    Shiratori, Ikuo; Ogasawara, Kouetsu; Saito, Takashi; Lanier, Lewis L; Arase, Hisashi

    2004-02-16

    Paired receptors that consist of highly related activating and inhibitory receptors are widely involved in the regulation of the immune system. Here, we report a mouse orthologue of the human activating paired immunoglobulin-like type 2 receptor (PILR) beta, which was cloned from a cDNA library of natural killer (NK) cells based on its ability to associate with the DAP12 signaling adaptor protein. The activating PILRbeta was expressed not only on NK cells but also on dendritic cells and macrophages. Furthermore, we have identified a novel CD99-like molecule as a ligand for the activating PILRbeta and inhibitory PILRalpha receptors. Transcripts of PILR ligand are present in many tissues, including some T cell lines. Cells expressing the PILR ligand specifically activated NK cells and dendritic cells that express the activating PILRbeta. Our findings reveal a new regulatory mechanism of innate immunity by PILR and its CD99-like ligand. PMID:14970179

  10. Immunomodulatory activity of extracellular Hsp70 mediated via paired receptors Siglec-5 and Siglec-14.

    PubMed

    Fong, Jerry J; Sreedhara, Karthik; Deng, Liwen; Varki, Nissi M; Angata, Takashi; Liu, Qinglian; Nizet, Victor; Varki, Ajit

    2015-11-12

    The intracellular chaperone heat-shock protein 70 (Hsp70) can be secreted from cells, but its extracellular role is unclear, as the protein has been reported to both activate and suppress the innate immune response. Potential immunomodulatory receptors on myelomonocytic lineage cells that bind extracellular Hsp70 are not well defined. Siglecs are Ig-superfamily lectins on mammalian leukocytes that recognize sialic acid-bearing glycans and thereby modulate immune responses. Siglec-5 and Siglec-14, expressed on monocytes and neutrophils, share identical ligand-binding domains but have opposing signaling functions. Based on phylogenetic analyses of these receptors, we predicted that endogenous sialic acid-independent ligands should exist. An unbiased screen revealed Hsp70 as a ligand for Siglec-5 and Siglec-14. Hsp70 stimulation through Siglec-5 delivers an anti-inflammatory signal, while stimulation through Siglec-14 is pro-inflammatory. The functional consequences of this interaction are also addressed in relation to a SIGLEC14 polymorphism found in humans. Our results demonstrate that an endogenous non-sialic acid-bearing molecule can be either a danger-associated or self-associated signal through paired Siglecs, and may explain seemingly contradictory prior reports on extracellular Hsp70 action. PMID:26459514

  11. Origin of facilitation of motor-evoked potentials after paired magnetic stimulation: direct recording of epidural activity in conscious humans.

    PubMed

    Di Lazzaro, V; Pilato, F; Oliviero, A; Dileone, M; Saturno, E; Mazzone, P; Insola, A; Profice, P; Ranieri, F; Capone, F; Tonali, P A; Rothwell, J C

    2006-10-01

    A magnetic transcranial conditioning stimulus given over the motor cortex at intensities below active threshold for obtaining motor-evoked potentials (MEPs) facilitates EMG responses evoked at rest in hand muscles by a suprathreshold magnetic stimulus given 10-25 ms later. This is known as intracortical facilitation (ICF). We recorded descending volleys produced by single and paired magnetic motor cortex stimulation through high cervical epidural electrodes implanted for pain relief in six conscious patients. At interstimulus intervals (ISIs) of 10 and 15 ms, although MEP was facilitated, there was no change in the amplitude or number of descending volleys. An additional I wave sometimes was observed at 25 ms ISI. In one subject, we also evaluated the effects of reversing the direction of the induced current in the brain. At 10 ms ISI, the facilitation of the MEPs disappeared and was replaced by slight suppression; at 2 ms ISI, there was a pronounced facilitation of epidural volleys. Subsequent experiments on healthy subjects showed that a conditioning stimulus capable of producing ICF of MEPs had no effect on the EMG response evoked by transmastoidal electrical stimulation of corticospinal tract. We conclude that ICF occurs because either 1) the conditioning stimulus has a (thus far undetected) effect on spinal cord excitability that increases its response to the same amplitude test volley or 2) that it can alter the composition (but not the amplitude) of the descending volleys set up by the test stimulus such that a larger proportion of the activity is destined for the target muscle. PMID:16760345

  12. Combination of hormone replacement therapy and high physical activity is associated with differences in Achilles tendon size in monozygotic female twin pairs.

    PubMed

    Finni, T; Kovanen, V; Ronkainen, P H A; Pöllänen, E; Bashford, G R; Kaprio, J; Alén, M; Kujala, U M; Sipilä, S

    2009-04-01

    Estrogen concentration has been suggested to play a role in tendon abnormalities and injury. In physically active postmenopausal women, hormone replacement therapy (HRT) has been suggested to decrease tendon diameter. We hypothesized that HRT use and physical activity are associated with Achilles tendon size and tissue structure. The study applied cotwin analysis of fourteen 54- to 62-yr-old identical female twin pairs with current discordance for HRT use for an average of 7 yr. Achilles tendon thickness and cross-sectional areas were determined by ultrasonography, and tendon structural organization was analyzed from the images using linear discriminant analysis (LDA). Maximal voluntary and twitch torques from plantar flexor muscles were measured. Serum levels of estradiol, estrone, testosterone, and sex hormone binding globulin were analyzed. Total daily metabolic equivalent score (MET-h/day) was calculated from physical activity questionnaires. Results showed that, in five physically active (MET > 4) pairs, the cotwins receiving HRT had greater estradiol level (P = 0.043) and smaller tendon cross-sectional area than their sisters (63 vs. 71 mm(2), P = 0.043). Among all pairs, Achilles tendon thickness and cross-sectional area did not significantly differ between HRT using and nonusing twin sisters. Intrapair correlation for Achilles tendon thickness was high, despite HRT use discordance (r = 0.84, P < 0.001). LDA distinguished different tendon structure only from two of six examined twin pairs who had a similar level of physical activity. In conclusion, the effect of HRT on Achilles tendon characteristics independent of genetic confounding may be present only in the presence of sufficient physical activity. In physically active twin pairs, the higher level of estrogen seems to be associated with smaller tendon size. PMID:19164771

  13. Forget the Alamo: Thinking about History in John Sayles' "Lone Star"

    ERIC Educational Resources Information Center

    Adams, Anna

    2007-01-01

    John Sayles' film "Lone Star" is an excellent vehicle for teaching about the production and interpretation of history in a high school or introductory level college history class. The film illustrates that history is subjective, that the sorting and arrangement of evidence is what makes history, and that history is not necessarily an inevitable…

  14. 75 FR 81442 - Revocation of Class E Airspace; Lone Star, TX

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-12-28

    ... rulemaking to remove Class E airspace for Lone Star, TX. (75 FR 64972) Docket No. FAA-2010-0772. Interested...) is not a ``significant rule'' under DOT Regulatory Policies and Procedures (44 FR 11034; February 26..., 40113, 40120; E. O. 10854, 24 FR 9565, 3 CFR, 1959-1963 Comp., p. 389. Sec. 71.1 0 2. The...

  15. 75 FR 64972 - Proposed Revocation of Class E Airspace; Lone Star, TX

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-10-21

    ...; (2) is not a ``significant rule'' under DOT Regulatory Policies and Procedures (44 FR 11034; February...: Authority: 49 U.S.C. 106(g); 40103, 40113, 40120; E.O. 10854, 24 FR 9565, 3 CFR, 1959-1963 Comp., p. 389... Federal Aviation Administration 14 CFR Part 71 Proposed Revocation of Class E Airspace; Lone Star,...

  16. Solar production of industrial process steam for the Lone Star Brewery. Final report

    SciTech Connect

    Deffenbaugh, D.M.; Svedeman, S.J.

    1985-09-15

    The existing solar process heat system at the Lone Star Brewery in San Antonio, Texas was converted to a lower temperature water preheat system. The performance of the new system was monitored. System maintenance and operation, and economic aspects are briefly described. The system was found to be unreliable for the industrial environment and not cost effective at current energy prices. (BCS)

  17. "The Lone Ranger" Rides Again: Recurring Images of the Justice Hero in "The Equalizer."

    ERIC Educational Resources Information Center

    Getz, Glenn

    A study compared the two television series, "The Lone Ranger" and "The Equalizer" to see whether the protagonists conform to the American archetype of the justice hero--defined as the hero who deals with crime in society. A formula analysis of the two television texts reveals that both heroes are male, scrupulous, independent, possess almost…

  18. Lone Parent Families in the European Community. The 1992 Report to the European Commission.

    ERIC Educational Resources Information Center

    Roll, Jo

    This report provides an overview of the numbers, characteristics, and economic situation of lone-parent families in the European Community. The report aims to take at least a first step toward providing information that would enable policy-makers to address the problems faced by single-parent families. The report concludes that women's…

  19. ACTIVE GALACTIC NUCLEUS PAIRS FROM THE SLOAN DIGITAL SKY SURVEY. II. EVIDENCE FOR TIDALLY ENHANCED STAR FORMATION AND BLACK HOLE ACCRETION

    SciTech Connect

    Liu Xin; Shen Yue; Strauss, Michael A.

    2012-01-20

    Active galactic nuclei (AGNs) are occasionally seen in pairs, suggesting that tidal encounters are responsible for the accretion of material by both central supermassive black holes (BHs). In Paper I of this series, we selected a sample of AGN pairs with projected separations r{sub p} < 100 h{sup -1}{sub 70} kpc and velocity offsets <600 km s{sup -1} from the Seventh Data Release of the Sloan Digital Sky Survey and quantified their frequency. In this paper, we address the BH accretion and recent star formation properties in their host galaxies. AGN pairs experience stronger BH accretion, as measured by their [O III] {lambda}5007 luminosities (corrected for contribution from star formation) and Eddington ratios, than do control samples of single AGNs matched in redshift and host-galaxy stellar mass. Their host galaxies have stronger post-starburst activity and younger mean stellar ages, as indicated by stronger H{delta} absorption and smaller 4000 A break in their spectra. The BH accretion and recent star formation in the host galaxies both increase with decreasing projected separation in AGN pairs, for r{sub p} {approx}< 10-30 h{sup -1}{sub 70} kpc. The intensity of BH accretion, the post-starburst strength, and the mean stellar ages are correlated between the two AGNs in a pair. The luminosities and Eddington ratios of AGN pairs are correlated with recent star formation in their host galaxies, with a scaling relation consistent with that observed in single AGNs. Our results suggest that galaxy tidal interactions enhance both BH accretion and host-galaxy star formation in close AGN pairs, even though the majority of low-redshift AGNs are not coincident with on-going interactions.

  20. Anion-controlled self-assembly of two NLO-active dinuclear and molecular square Cu(II) enantiomeric pairs: from antiferromagnetic to ferromagnetic coupling.

    PubMed

    Li, Xi-Li; Kang, Jia-Long; Zhang, Xue-Li; Xiao, Hong-Ping; Wang, Ai-Ling; Zhou, Liming; Fang, Shao-Ming; Liu, Cai-Ming

    2014-12-14

    Two second-order nonlinear optically (NLO)-active dinuclear and square Cu(II) enantiomeric pairs were obtained via the self-assemblies of enantiopure linear bis-bidentate ligands with different copper(II) salts under the identical reaction conditions. Their magnetic properties are switched from antiferromagnetic to ferromagnetic coupling. PMID:25366847

  1. Cox-Maze IV Results for Patients With Lone Atrial Fibrillation Versus Concomitant Mitral Disease

    PubMed Central

    Saint, Lindsey L.; Bailey, Marci S.; Prasad, Sunil; Guthrie, Tracey J.; Bell, Jennifer; Moon, Marc R.; Lawton, Jennifer S.; Munfakh, Nabil A.; Schuessler, Richard B.; Damiano, Ralph J.; Maniar, Hersh S.

    2012-01-01

    Background This study compared Cox-Maze IV (CMIV) outcomes for the treatment of atrial fibrillation (AF) in patients with lone AF vs those with AF and mitral valve (MV) disease. Methods Since 2002, 200 patients have undergone a CMIV procedure for lone AF (n = 101) or concomitantly with MV operations (n = 99). Preoperative, perioperative, and late outcomes between these groups were compared. Data were collected prospectively and reported at 3, 6, and 12 months. Results Lone AF patients had AF of longer duration; patients with AF and MV disease were older, with larger left atria and worse New York Heart Association classification (p < 0.05). Operative mortality (1% vs 4%, p > 0.05, respectively) was similar between both groups. Perioperative atrial tachyarrhythmias were more prevalent in patients with concomitant MV operations (57% vs 41%, p = 0.03); however, freedom from AF and antiar-rhythmics was similar for both groups at 12 months (76% and 77%). The only predictor for atrial tachyarrhythmia recurrence or arrhythmic drug dependence was failure to isolate the posterior left atrium (p < 0.01). Conclusions Patients with AF and MV disease have distinct comorbidities compared with patients with lone AF. However, the CMIV is safe and effective in both groups and should be considered for patients with AF undergoing MV operations. Patients with MV disease had more atrial tachyarrhythmias at 3 months, but freedom from AF and antiarrhythmics was similar to patients with lone AF at 1 year. The posterior left atrium should be isolated in every patient, because this was the only predictor for failure of the CMIV for either group. PMID:22305055

  2. Age-dependent differences in the strength and persistence of psychostimulant-induced conditioned activity in rats: effects of a single environment-cocaine pairing.

    PubMed

    McDougall, Sanders A; Pipkin, Joseph A; Der-Ghazarian, Taleen; Cortez, Anthony M; Gutierrez, Arnold; Lee, Ryan J; Carbajal, Sandra; Mohd-Yusof, Alena

    2014-10-01

    The aim of the present study was to determine the strength and persistence of cocaine-induced conditioned activity in young and adult rats. A one-trial protocol has proven useful for studying the ontogeny of psychostimulant-induced behavioral sensitization; therefore, a similar procedure was used to examine conditioned activity. On postnatal day (PD) 19 or PD 80, rats were injected with saline or cocaine in either a novel test chamber or the home cage. After various drug abstinence intervals (1-21 days), rats were injected with saline and returned to the test chamber, where conditioned activity was assessed. In a separate experiment, we examined whether cocaine-induced conditioned activity was a consequence of Pavlovian conditioning or a failure to habituate to the test environment. The results indicated that adult rats showed strong one-trial conditioned activity that persisted for at least 21 days, whereas young rats did not show a conditioned locomotor response. The conditioned activity shown by adult rats did not result from a failure to habituate to the cocaine-paired environment. These results indicate that cocaine-paired contextual stimuli differentially affect behavior depending on the age of the animal. The data obtained from adult rats have potential translational relevance for humans because a single environment-drug pairing caused long-term alterations in behavior. PMID:25171082

  3. Cooper Pair Insulators

    NASA Astrophysics Data System (ADS)

    Valles, James

    One of the recent advances in the field of the Superconductor to Insulator Transition (SIT) has been the discovery and characterization of the Cooper Pair Insulator phase. This bosonic insulator, which consists of localized Cooper pairs, exhibits activated transport and a giant magneto-resistance peak. These features differ markedly from the weakly localized transport that emerges as pairs break at a ``fermionic'' SIT. I will describe how our experiments on films nano-patterned with a nearly triangular array of holes have enabled us to 1) distinguish bosonic insulators from fermionic insulators, 2) show that Cooper pairs, rather than quasi-particles dominate the transport in the Cooper Pair insulator phase, 3) demonstrate that very weak, sub nano-meter thickness inhomogeneities control whether a bosonic or fermionic insulator forms at an SIT and 4) reveal that Cooper pairs disintegrate rather than becoming more tightly bound deep in the localized phase. We have also developed a method, using a magnetic field, to tune flux disorder reversibly in these films. I will present our latest results on the influence of magnetic flux disorder and random gauge fields on phenomena near bosonic SITs. This work was performed in collaboration with M. D. Stewart, Jr., Hung Q. Nguyen, Shawna M. Hollen, Jimmy Joy, Xue Zhang, Gustavo Fernandez, Jeffrey Shainline and Jimmy Xu. It was supported by NSF Grants DMR 1307290 and DMR-0907357.

  4. Effects of 32-year leisure time physical activity discordance in twin pairs on health (TWINACTIVE study): aims, design and results for physical fitness.

    PubMed

    Leskinen, Tuija; Waller, Katja; Mutikainen, Sara; Aaltonen, Sari; Ronkainen, Paula H A; Alén, Markku; Sipilä, Sarianna; Kovanen, Vuokko; Perhonen, Merja; Pietiläinen, Kirsi H; Cheng, Sulin; Suominen, Harri; Kainulainen, Heikki; Kaprio, Jaakko; Kujala, Urho M

    2009-02-01

    The physically active lifestyle is associated with low future morbidity and mortality, but the causality between physical activity and health is not always clear. As some inherited biological characteristics and childhood experiences may cause selection bias in observational studies, we sought to take them into account by identifying 16 twin pairs (7 MZ, 9 DZ, mean age 60 years) discordant for leisure time physical activity habits for thirty years. We conducted detailed health-related examinations among these twin pairs. Our main aims were to study the effects of physical activity and genes on fitness and body composition, with special reference to body fat compartments, metabolic syndrome components and related diseases and risk factor levels, status of arteries, structure and function of the heart, bone properties, and muscle and fat tissue-related mechanisms linked to physical activity and chronic disease development. Our physical activity assessments showed that inactive co-twins were on average 8.8 MET hours/day less active than their active co-twins through out their midlife (2.2+/-2.3 vs. 11.0+/-4.1 MET h/day, p< .001). Follow-up fitness tests showed that physically inactive co-twins were less fit than their active co-twins (estimated VO(2peak) 26.4+/-4.9 vs. 32.5+/-5.5 ml/kg/min, p< .001). Similar differences were found in both MZ and DZ pairs. On the basis of earlier epidemiological observations on nonrelated individuals, these physical activity and fitness differences are large enough to cause differences in many mechanisms and risk factors related to the development of chronic diseases and to permit future analyses. PMID:19210186

  5. Very high energy gamma rays from active galactic nuclei: Cascading on the cosmic background radiation fields and the formation of pair halos

    NASA Technical Reports Server (NTRS)

    Aharonian, F. A.; Coppi, P. S.; Voelk, H. J.

    1994-01-01

    Recent high-energy gamma-ray observations (E(sub gamma) greater than 100 MeV) of blazar Active Galactic Nuclei (AGNs) show emission spectra with no clear upper energy cutoff. AGNs, considered to be possible sources for the observed flux of cosmic rays beyond 10(exp 19) eV, may well have emission extending into the very high energy (VHE), (E(sub gamma) greater than 100 GeV) domain. Because VHE gamma-rays are absorbed by pair production on the intergalactic background radiation fields, much of this emission may not be directly visible. The electromagnetic cascades initiated by absorbed VHE gamma-rays, however, may be observable. Since, most probably, the velocities of (e(+), e(-)) pairs produced in a cascade are quickly isotropized by an ambient random magnetic field, extended 'halos' (R greater than 1 Mpc) of pairs will be formed around AGNs with VHE emission. The cascade radiation from these pair halos is emitted isotropically and should be observable at energies below a few TeV. The halo radiation can be distinguished by its characteristic variation in spectrum and intensity with angular distance from the central source. This variation depends weakly on the details of the central source model, e.g., the orientation and beaming/opening angle of an emitting jet. Limiting or determining the intensity of the pair halo can thus serve as a model-independent bound on or measure of the VHE power of AGNs. Next-generation Cherenkov telescopes may be able to image a pair halo.

  6. Evaluation of DEET and eight essential oils for repellency against nymphs of the lone star tick, Amblyomma americanum (Acari: Ixodidae)

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Eight commercially available essential oils (oregano, clove, thyme, vetiver, sandalwood, cinnamon, cedarwood, and peppermint) were evaluated for repellency against host-seeking nymphs of the lone star tick, Amblyomma americanum. Concentration- repellency response was established using the vertical ...

  7. Heterogeneity within multiple perpetrator rapes: a national comparison of lone, duo, and 3+ perpetrator rapes.

    PubMed

    da Silva, Teresa; Woodhams, Jessica; Harkins, Leigh

    2014-12-01

    The effect of number of perpetrators involved in multiple perpetrator rapes on offense characteristics is underresearched despite beliefs that duos/dyads differ in their interactions and dynamics to groups of 3+ members. We analyzed a national sample of 336 allegations of completed and attempted rape of female victims from the United Kingdom. Rapes committed by multiple (duos and groups of 3+ perpetrators) and lone offenders were compared on offense characteristics (incorporating the approach, maintenance, and closure phases of each rape) and victim and offender sociodemographic characteristics. Significant differences between rapes committed by lone, duo, and 3+ group offenders were found for the age and ethnicity of the offenders; the type of approach used; the locations of the initial contact, assault, and release of the victims; the use of a vehicle; the precautions utilized; the verbal themes present; and the sex acts performed. These results have implications for educational prevention programs and interventions with offenders. PMID:24002932

  8. Note: Magnetic targeting for enhancement of the activation efficiency of G protein-coupled receptor with a two-pair coil system

    NASA Astrophysics Data System (ADS)

    Cao, Quanliang; Han, Xiaotao; Chun, Lei; Liu, Jianfeng; Li, Liang

    2016-01-01

    Insufficient contact of drug with target cells is a primary reason for limited efficiency of G protein-coupled receptor activation. To overcome this limitation, a simple approach based on magnetic targeting for enhancing drug delivery towards the cell surfaces using magnetic nanoparticles and a two-pair coil system consisting of Helmholtz and Maxwell coils was reported. As a proof of the concept, comparative experiments on G protein-coupled receptor activation process were carried out and results show that the efficiency of G protein-coupled receptor activation can be increased about 6 times in the experiments with the aid of the proposed magnetic targeting system.

  9. InSAR detection of aquifer recovery: Case studies of Koehn Lake (central California) and Lone Tree Gold Mine (Basin and Range)

    NASA Astrophysics Data System (ADS)

    Wdowinski, S.; Greene, F.; Amelung, F.

    2013-12-01

    Anthropogenic intervention in groundwater flow and aquifer storage often results in vertical movements of Earth's surface, which are well detected by InSAR observations. Most anthropogenic intervention occurs due to groundwater extraction for both agriculture and human consumption and results in land subsidence. However in some cases, ending anthropogenic intervention can lead to aquifer recovery and, consequently, surface uplift. In this study we present two such cases of aquifer recovery. The first case is the aquifer beneath Koehn Lake in Central California, which was overused to meet agricultural demands until the 1990's. The second case is the Lone Tree Gold Mine in Nevada that during active mining in the 1991-2006 groundwater pumping disrupted the aquifer and cause subsidence. But after mining ceased, groundwater flow was recovered and resulted in uplift. In both cases we studied the surface uplift using InSAR time series observations. We conduct an ERS and Envisat InSAR survey over Koehn Lake in California and Lone Tree Gold Mine in Nevada between 1992 and 2010. We followed the SBAS algorithm to generate a time-series of ground displacements and average velocities of pixels, which remain coherent through time in the SAR dataset. A total of 100 and 80 combined ERS and Envisat SAR dates are inverted for Koehn Lake and Lone Tree Gold Mine respectively. Results for the Koehn Lake area indicate a rapid uplift of about 3.5 mm/yr between 1992-2000 and a slower uplift rate of 1.6 mm/yr between 2000-2004, suggesting a decrease in the recovery process. The observed uplift correlates well with groundwater level increase in the Koehn Lake area. Results for the Lone Tree Gold Mine show a constant subsidence (~ 1 cm/yr) due to groundwater extraction between 1992-2006, but uplift of ~1 cm/yr since the beginning of 2007. In both case studies, InSAR observations reveal that the aquifer recovery is accompanied by surface uplift. We plan to use the InSAR observations and the

  10. Miscellaneous investigations series: Bedrock geologic map of the Lone Mountain pluton area, Esmeralda County, Nevada

    SciTech Connect

    Maldonado, F.

    1984-12-31

    The joint attitudes were measured in the field and plotted on aerial photos at a scale of 1:24,000. The pluton is intensely jointed, primarily as a result of cooling and movement of the magma within a northwest-trending stress field. Foliation, in general, is poorly developed, and quality varies from area to area, but it is best developed close to the contacts with the metasedimentary rocks. A prominent northwest foliation direction was observed that parallels the northwest elongation of the exposed pluton. Faults in the pluton are difficult to identify because of the homogeneity of the rock. Several faults were mapped in the northern part of the area where they have a northeast trend and intersect the northwest-trending lamprophyre dikes with little apparent displacement. A major fault that bounds the northern part of the pluton is downthrown to the north and strikes northeast. This fault offsets the alluvium, the metasedimentary rocks, and the pluton and forms fault scraps as high as 10 m. Aeromagnetic data (US Geological Survey, 1979) suggest the following: (1) the local magnetic highs in the central part of the Lone Mountain pluton are probably related to topographic highs (peaks) where the flight lines are closer to the pluton; (2) a magnetic low in the northeastern part of Lone Mountain coincides with the pluton-country rock contact, which may be very steep; (3) the contours for the southwestern part of the mapped area indicate that the pluton-country rock contact is not as steep as that in the northeastern part and that the pluton probably coalesces at depth with the Weepah pluton, a pluton exposed south of the mapped area; and (4) the contours for the area of the Lone Mountain pluton express a northwest-trending gradient that parallels the northwest elongation of the Lone Mountain pluton and the northwest-trending stress field. 10 refs.

  11. Surgery for Lone Atrial Fibrillation: Present State-of-the-Art

    PubMed Central

    Shen, Jeanne; Bailey, Marci; Damiano, Ralph J.

    2009-01-01

    For two decades, the cut-and-sew Cox-Maze III procedure was the gold standard for the surgical treatment of atrial fibrillation (AF), and proved to be effective at curing lone AF and preventing its most dreaded complication, stroke. However, this procedure was not widely adopted due to its complexity and technical difficulty. Over the last 5–10 years, the introduction of new ablation technology has led to the development of the Cox-Maze IV procedure, as well as, more limited lesion sets, with the ultimate goal of performing a minimally-invasive lesion set on the beating heart, without the need for cardiopulmonary bypass. This review summarizes the current state of the art and future directions in the surgical treatment of lone atrial fibrillation. The hope is that as we learn more about the mechanisms of AF and develop preoperative diagnostic technologies capable of precisely locating the areas responsible for AF, it will become possible to tailor specific lesion sets and ablation modalities to individual patients, making the surgical treatment of lone AF available to a larger population of patients. PMID:20473355

  12. Learning from “Knocks in Life”: Food Insecurity among Low-Income Lone Senior Women

    PubMed Central

    Green-LaPierre, Rebecca J.; Williams, Patricia L.; Glanville, N. Theresa; Norris, Deborah; Hunter, Heather C.; Watt, Cynthia G.

    2012-01-01

    Building on earlier quantitative work where we showed that lone senior households reliant on public pensions in Nova Scotia (NS), Canada lacked the necessary funds for a basic nutritious diet, here we present findings from a qualitative study involving in-depth interviews with eight low-income lone senior women living in an urban area of NS. Using a phenomenological inquiry approach, in-depth interviews were used to explore lone senior women's experiences accessing food with limited financial resources. Drawing upon Bronfenbrenner's Ecological Systems Theory, we explored their perceived ability to access a nutritionally adequate and personally acceptable diet, and the barriers and enablers to do so; as well in light of our previous quantitative research, we explored their perceptions related to adequacy of income, essential expenses, and their strategies to manage personal finances. Seven key themes emerged: world view, income adequacy, transportation, health/health problems, community program use, availability of family and friends, and personal food management strategies. World view exerted the largest influence on seniors' personal perception of food security status. The implications of the findings and policy recommendations to reduce the nutritional health inequities among this vulnerable subset of the senior population are considered. PMID:22997580

  13. Impact of Caregiving for a Child With Cancer on Parental Health Behaviors, Relationship Quality, and Spiritual Faith: Do Lone Parents Fare Worse?

    PubMed

    Wiener, Lori; Viola, Adrienne; Kearney, Julia; Mullins, Larry L; Sherman-Bien, Sandra; Zadeh, Sima; Farkas-Patenaude, Andrea; Pao, Maryland

    2016-09-01

    Caregiving stress has been associated with changes in the psychological and physical health of parents of children with cancer, including both partnered and single parents. While parents who indicate "single" on a demographic checklist are typically designated as single parents, a parent can be legally single and still have considerable support caring for an ill child. Correspondingly, an individual can be married/partnered and feel alone when caring for a child with serious illness. In the current study, we report the results from our exploratory analyses of parent self-reports of behavior changes during their child's treatment. Parents (N = 263) of children diagnosed with cancer were enrolled at 10 cancer centers. Parents reported significant worsening of all their own health behaviors surveyed, including poorer diet and nutrition, decreased physical activity, and less time spent engaged in enjoyable activities 6 to 18 months following their child's diagnosis. More partnered parents found support from friends increased or stayed the same since their child's diagnosis, whereas a higher proportion of lone parents reported relationships with friends getting worse. More lone parents reported that the quality of their relationship with the ill child's siblings had gotten worse since their child's diagnosis. Spiritual faith increased for all parents. PMID:26668211

  14. Novel H2 activation by a tris[3,5-bis(trifluoromethyl)phenyl]borane frustrated Lewis pair.

    PubMed

    Herrington, Thomas J; Thom, Alex J W; White, Andrew J P; Ashley, Andrew E

    2012-08-14

    Tris[3,5-bis(trifluoromethyl)phenyl]borane (1, BArF(18)), has been synthesised on a practical scale for the first time. According to the Gutmann-Beckett method it is a more powerful Lewis acid than B(C(6)F(5))(3). It forms a 'frustrated Lewis pair' with 2,2,6,6-tetramethylpiperidine which cleaves H(2) to form a salt containing the novel anion [μ-H(BArF(18))(2)](-). PMID:22532230

  15. Study of thermally activated radical pair separation in the anthraquinone/triethylamine photoredox system by fourier transform EPR

    SciTech Connect

    Beckert, D.; Plueschau, M.; Dinse, K.P.

    1992-04-16

    By using fourier tranform electron paramagnetic resonance, the free radicals in the photoreduction of anthraquinone by triethylamine in alcohol solutions have been investigated. The detrapping kinetics have been described using some analytical form of the potential and the thermally averaged distance distribution of trapped radical pairs. This analytical form relates the binding potential, the diffusion constant, and the equilibrium distance. 12 refs., 4 figs., 3 tabs.

  16. Supernovae in paired galaxies

    NASA Astrophysics Data System (ADS)

    Nazaryan, T. A.; Petrosian, A. R.; Hakobyan, A. A.; Adibekyan, V. Zh.; Kunth, D.; Mamon, G. A.; Turatto, M.; Aramyan, L. S.

    2014-07-01

    We investigate the influence of close neighbor galaxies on the properties of supernovae (SNe) and their host galaxies using 56 SNe located in pairs of galaxies with different levels of star formation (SF) and nuclear activity. The mean distance of type II SNe from nuclei of hosts is greater by about a factor of 2 than that of type Ibc SNe. The distributions and mean distances of SNe are consistent with previous results compiled with the larger sample. For the first time it is shown that SNe Ibc are located in pairs with significantly smaller difference of radial velocities between components than pairs containing SNe Ia and II. We consider this as a result of higher star formation rate (SFR) of these closer systems of galaxies.

  17. Oxidized Metabolites of 20-Hydroxyecdysone and Their Activity on Skeletal Muscle Cells: Preparation of a Pair of Desmotropes with Opposite Bioactivities.

    PubMed

    Csábi, József; Hsieh, Tusty-Jiuan; Hasanpour, Feria; Martins, Ana; Kele, Zoltán; Gáti, Tamás; Simon, András; Tóth, Gábor; Hunyadi, Attila

    2015-10-23

    Increasing the activation of protein kinase B (Akt) has been suggested as a key signaling step in the nonhormonal anabolic activity of the phytoecdysteroid 20-hydroxyecdysone (20E) in mammals. Base-catalyzed autoxidation of this compound was shown previously to yield interesting B-ring-modified analogues. Herein is reported a thorough study on this reaction, resulting in the preparation and complete NMR spectroscopic assignments of calonysterone (5) and its previously overlooked desmotropic pair (7), along with two new sensitive metabolites of 20E. The two isomers showed considerable stability in solution. Time dependency of the reaction for yield optimization is also presented; by means of analytical HPLC, the two desmotropes can reach a maximum combined yield of >90%. The activity of these compounds on Akt phosphorylation was tested in murine skeletal muscle cells. Compounds 2 and 5 showed more potent activity than 20E in increasing Akt activation, while compound 7 exerted an opposite effect. As such, the present study provides the first direct evidence for a pair of desmotropes exerting significantly different bioactivities. PMID:26465254

  18. Improved drug loading and antibacterial activity of minocycline-loaded PLGA nanoparticles prepared by solid/oil/water ion pairing method

    PubMed Central

    Kashi, Tahereh Sadat Jafarzadeh; Eskandarion, Solmaz; Esfandyari-Manesh, Mehdi; Marashi, Seyyed Mahmoud Amin; Samadi, Nasrin; Fatemi, Seyyed Mostafa; Atyabi, Fatemeh; Eshraghi, Saeed; Dinarvand, Rassoul

    2012-01-01

    Background Low drug entrapment efficiency of hydrophilic drugs into poly(lactic-co-glycolic acid) (PLGA) nanoparticles is a major drawback. The objective of this work was to investigate different methods of producing PLGA nanoparticles containing minocycline, a drug suitable for periodontal infections. Methods Different methods, such as single and double solvent evaporation emulsion, ion pairing, and nanoprecipitation were used to prepare both PLGA and PEGylated PLGA nanoparticles. The resulting nanoparticles were analyzed for their morphology, particle size and size distribution, drug loading and entrapment efficiency, thermal properties, and antibacterial activity. Results The nanoparticles prepared in this study were spherical, with an average particle size of 85–424 nm. The entrapment efficiency of the nanoparticles prepared using different methods was as follows: solid/oil/water ion pairing (29.9%) > oil/oil (5.5%) > water/oil/water (4.7%) > modified oil/water (4.1%) > nano precipitation (0.8%). Addition of dextran sulfate as an ion pairing agent, acting as an ionic spacer between PEGylated PLGA and minocycline, decreased the water solubility of minocycline, hence increasing the drug entrapment efficiency. Entrapment efficiency was also increased when low molecular weight PLGA and high molecular weight dextran sulfate was used. Drug release studies performed in phosphate buffer at pH 7.4 indicated slow release of minocycline from 3 days to several weeks. On antibacterial analysis, the minimum inhibitory concentration and minimum bactericidal concentration of nanoparticles was at least two times lower than that of the free drug. Conclusion Novel minocycline-PEGylated PLGA nanoparticles prepared by the ion pairing method had the best drug loading and entrapment efficiency compared with other prepared nanoparticles. They also showed higher in vitro antibacterial activity than the free drug. PMID:22275837

  19. Methods for Identifying Pair Halos

    NASA Astrophysics Data System (ADS)

    Wells, Brendan; Caputo, Regina; Atwood, William; Ritz, Steven M.

    2016-01-01

    The flux of very high energy gamma rays from active galactic nuclei (AGN) is attenuated via interactions with extragalactic background photons and is converted into e+e- pairs. With non-zero intergalactic magnetic fields, the electrons and positrons will deflect as they propagate and simultaneously lose energy by upscattering cosmic microwave background photons. "Pair halos," the visible consequences of these electromagnetic cascades, are faint and difficult to observe against their AGN counterparts. We investigate three methods for indirectly identifying pair halos, using a two-component approach to model the AGN core/halo image. We estimate each method's sensitivity by utilizing a new, detailed Monte Carlo pair-halo simulation.

  20. a Faint and Lonely Brown Dwarf in the Solar Vicinity

    NASA Astrophysics Data System (ADS)

    1997-04-01

    La Silla, each covering a sky area of 5 o.5 x 5 o.5. When comparing plates of the same sky field obtained at time intervals of several years [1] , she was able to detect, among the hundreds of thousands of stellar images on the plates, a few faint ones whose positions had changed a little in the meantime. The search technique is based on the fact that such a shift is a good indicator of the object being relatively nearby. It must therefore also be intrinsically faint, i.e. a potential White Dwarf candidate. On every pair of plates, approximately twenty faint moving objects were detected with proper motions [2] of more than 0.25 arcsec per year. Indeed, follow-up spectroscopic observations showed that about 20 percent of these or about four per plate were White Dwarfs. Until now, a total of forty new White Dwarfs have been discovered during this very successful project, i.e. over ten times more than originally expected. And then - a Brown Dwarf! Caption to ESO PR Photo 11/97 [JPEG, 144k] ESO Press Photo 11/97 When checking two plates with a time inverval of 11 years, Maria Teresa Ruiz earlier this year discovered a very faint object in the southern constellation of Hydra (The Water-Snake), moving at 0.35 arcsec per year (cf. ESO Press Photo 11/97). In order to establish its true nature, she obtained its spectrum (in the visual to near-infrared region from wavelengths 450-1000 nm) on March 15 using the ESO 3.6-m telescope and the EFOSC1 spectrograph. Caption to ESO PR Photo 12/97 [GIF, 35k] ESO Press Photo 12/97 To her great surprise, the spectrum was of a type never seen before and certainly not that of a White Dwarf or any other easily identifiable type of star (cf. ESO Press Photo 12/97). In particular, there were no signs of spectral bands of titanium oxide (TiO) or vanadium oxide (VO) which are common in very cool stars, nor of the spectral lines seen in White Dwarfs. On the other hand, an absorption line of the short-lived element lithium was identified, as well

  1. Pair-bonding in birds and the active role of females: a critical review of the empirical evidence.

    PubMed

    Cézilly; Préault; Dubois; Faivre; Patris

    2000-10-01

    Over the recent years the role of females in maintaining or breaking the pair-bond in socially monogamous birds has received growing attention. Here, we review the overall evidence for a direct and predominant role of female behaviour in initiating or preventing divorce and its relevance for the understanding of both interspecific and intraspecific variation in divorce rate in monogamous bird species. The evidence is so far limited to a few species. We discuss the relevance of some alternative explanations and confounding factors. We conclude that the possible predominance of females in both initiating divorce or limiting its occurrence deserves further consideration. Future studies should favour experimental approaches, such as mate-removal experiments. PMID:11074313

  2. Ambiphilic Frustrated Lewis Pair Exhibiting High Robustness and Reversible Water Activation: Towards the Metal-Free Hydrogenation of Carbon Dioxide.

    PubMed

    Rochette, Étienne; Courtemanche, Marc-André; Pulis, Alexander P; Bi, Wenhua; Fontaine, Frédéric-Georges

    2015-01-01

    The synthesis and structural characterization of a phenylene-bridged Frustrated Lewis Pair (FLP) having a 2,2,6,6‑tetramethylpiperidine (TMP) as the Lewis base and a 9-borabicyclo[3.3.1]nonane (BBN) as the Lewis acid is reported. This FLP exhibits unique robustness towards the products of carbon dioxide hydrogenation. The compound shows reversible splitting of water, formic acid and methanol while no reaction is observed in the presence of excess formaldehyde. The molecule is incredibly robust, showing little sign of degradation after heating at 80 °C in benzene with 10 equiv. of formic acid for 24 h. The robustness of the system could be exploited in the design of metal-free catalysts for the hydrogenation of carbon dioxide. PMID:26132911

  3. a Faint and Lonely Brown Dwarf in the Solar Vicinity

    NASA Astrophysics Data System (ADS)

    1997-04-01

    La Silla, each covering a sky area of 5 o.5 x 5 o.5. When comparing plates of the same sky field obtained at time intervals of several years [1] , she was able to detect, among the hundreds of thousands of stellar images on the plates, a few faint ones whose positions had changed a little in the meantime. The search technique is based on the fact that such a shift is a good indicator of the object being relatively nearby. It must therefore also be intrinsically faint, i.e. a potential White Dwarf candidate. On every pair of plates, approximately twenty faint moving objects were detected with proper motions [2] of more than 0.25 arcsec per year. Indeed, follow-up spectroscopic observations showed that about 20 percent of these or about four per plate were White Dwarfs. Until now, a total of forty new White Dwarfs have been discovered during this very successful project, i.e. over ten times more than originally expected. And then - a Brown Dwarf! Caption to ESO PR Photo 11/97 [JPEG, 144k] ESO Press Photo 11/97 When checking two plates with a time inverval of 11 years, Maria Teresa Ruiz earlier this year discovered a very faint object in the southern constellation of Hydra (The Water-Snake), moving at 0.35 arcsec per year (cf. ESO Press Photo 11/97). In order to establish its true nature, she obtained its spectrum (in the visual to near-infrared region from wavelengths 450-1000 nm) on March 15 using the ESO 3.6-m telescope and the EFOSC1 spectrograph. Caption to ESO PR Photo 12/97 [GIF, 35k] ESO Press Photo 12/97 To her great surprise, the spectrum was of a type never seen before and certainly not that of a White Dwarf or any other easily identifiable type of star (cf. ESO Press Photo 12/97). In particular, there were no signs of spectral bands of titanium oxide (TiO) or vanadium oxide (VO) which are common in very cool stars, nor of the spectral lines seen in White Dwarfs. On the other hand, an absorption line of the short-lived element lithium was identified, as well

  4. Engineering activity and stability of Thermotoga maritima glutamate dehydrogenase. II: construction of a 16-residue ion-pair network at the subunit interface.

    PubMed

    Lebbink, J H; Knapp, S; van der Oost, J; Rice, D; Ladenstein, R; de Vos, W M

    1999-06-01

    The role of an 18-residue ion-pair network, that is present in the glutamate dehydrogenase from the hyperthermophilic archaeon Pyrococcus furiosus, in conferring stability to other, less stable homologous enzymes, has been studied by introducing four new charged amino acid residues into the subunit interface of glutamate dehydrogenase from the hyperthermophilic bacterium Thermotoga maritima. These two GDHs are 55 % identical in amino acid sequence, differ greatly in thermo-activity and stability and derive from microbes with different phylogenetic positions. Amino acid substitutions were introduced as single mutations as well as in several combinations. Elucidation of the crystal structure of the quadruple mutant S128R/T158E/N117R/S160E T. maritima glutamate dehydrogenase showed that all anticipated ion-pairs are formed and that a 16-residue ion-pair network is present. Enlargement of existing networks by single amino acid substitutions unexpectedly resulted in a decrease in resistance towards thermal inactivation and thermal denaturation. However, combination of destabilizing single mutations in most cases restored stability, indicating the need for balanced charges at subunit interfaces and high cooperativity between the different members of the network. Combination of the three destabilizing mutations in triple mutant S128R/T158E/N117R resulted in an enzyme with a 30 minutes longer half-life of inactivation at 85 degrees C, a 3 degrees C higher temperature optimum for catalysis, and a 0.5 degrees C higher apparent melting temperature than that of wild-type glutamate dehydrogenase. These findings confirm the hypothesis that large ion-pair networks do indeed stabilize enzymes from hyperthermophilic organisms. PMID:10366510

  5. "I Could Do with a Pair of Wings": Perspectives on Physical Activity, Bodies and Health from Young Australian Children

    ERIC Educational Resources Information Center

    Macdonald, Doune; Rodger, Sylvia; Abbott, Rebecca; Ziviani, Jenny; Jones, Judy

    2005-01-01

    There is little research that reports children's perspectives on physical activity, bodies and health. This paper, drawn from a larger multi-method study on physical activity in the lives of seven- and eight-year-old Australian children, attempts to "give a voice" to 13 children's views. Interviews focused on children's activity preferences and…

  6. Differences in Muscle and Adipose Tissue Gene Expression and Cardio-Metabolic Risk Factors in the Members of Physical Activity Discordant Twin Pairs

    PubMed Central

    Leskinen, Tuija; Rinnankoski-Tuikka, Rita; Rintala, Mirva; Seppänen-Laakso, Tuulikki; Pöllänen, Eija; Alen, Markku; Sipilä, Sarianna; Kaprio, Jaakko; Kovanen, Vuokko; Rahkila, Paavo; Orešič, Matej; Kainulainen, Heikki; Kujala, Urho M.

    2010-01-01

    High physical activity/aerobic fitness predicts low morbidity and mortality. Our aim was to identify the most up-regulated gene sets related to long-term physical activity vs. inactivity in skeletal muscle and adipose tissues and to obtain further information about their link with cardio-metabolic risk factors. We studied ten same-sex twin pairs (age range 50–74 years) who had been discordant for leisure-time physical activity for 30 years. The examinations included biopsies from m. vastus lateralis and abdominal subcutaneous adipose tissue. RNA was analyzed with the genome-wide Illumina Human WG-6 v3.0 Expression BeadChip. For pathway analysis we used Gene Set Enrichment Analysis utilizing active vs. inactive co-twin gene expression ratios. Our findings showed that among the physically active members of twin pairs, as compared to their inactive co-twins, gene expression in the muscle tissue samples was chronically up-regulated for the central pathways related to energy metabolism, including oxidative phosphorylation, lipid metabolism and supportive metabolic pathways. Up-regulation of these pathways was associated in particular with aerobic fitness and high HDL cholesterol levels. In fat tissue we found physical activity-associated increases in the expression of polyunsaturated fatty acid metabolism and branched-chain amino acid degradation gene sets both of which associated with decreased ‘high-risk’ ectopic body fat and plasma glucose levels. Consistent with other findings, plasma lipidomics analysis showed up-regulation of the triacylglycerols containing the polyunsaturated fatty acids. Our findings identified skeletal muscle and fat tissue pathways which are associated with the long-term physical activity and reduced cardio-metabolic disease risk, including increased aerobic fitness. In particular, improved skeletal muscle oxidative energy and lipid metabolism as well as changes in adipocyte function and redistribution of body fat are associated with

  7. Do low-income lone mothers compromise their nutrition to feed their children?

    PubMed Central

    McIntyre, Lynn; Glanville, N. Theresa; Raine, Kim D.; Dayle, Jutta B.; Anderson, Bonnie; Battaglia, Noreen

    2003-01-01

    Background Women who live in disadvantaged circumstances in Canada exhibit dietary intakes below recommended levels, but their children often do not. One reason for this difference may be that mothers modify their own food intake to spare their children nutritional deprivation. The objective of our study was to document whether or not low-income lone mothers compromise their own diets to feed their children. Methods We studied 141 low-income lone mothers with at least 2 children under the age of 14 years who lived in Atlantic Canada. Women were identified through community organizations using a variety of recruitment strategies. The women were asked weekly for 1 month to recall their food intake over the previous 24 hours; they also reported their children's (n = 333) food intake. Mothers also completed a questionnaire about “food insecurity,” that is, a lack of access to adequate, nutritious food through socially acceptable means, during each interview. Results Household food insecurity was reported by 78% of mothers during the study month. Mothers' dietary intakes and the adequacy of intake were consistently poorer than their children's intake overall and over the course of a month. The difference in adequacy of intake between mothers and children widened from Time 1, when the family had the most money to purchase food, to Time 4, when the family had the least money. The children experienced some improvement in nutritional intake at Time 3, which was possibly related to food purchases for them associated with receipt of the Child Tax Benefit Credit or the Goods and Services Tax Credit. Interpretation Our study demonstrates that low-income lone mothers compromise their own nutritional intake in order to preserve the adequacy of their children's diets. PMID:12642423

  8. The simultaneous determination of active ingredients in cough-cold mixtures by isocratic reversed-phase ion-pair high-performance liquid chromatography.

    PubMed

    Lau, O W; Chan, K; Lau, Y K; Wong, W C

    1989-01-01

    A simple, rapid and accurate method for the simultaneous determination of active ingredients in cough-cold mixtures using isocratic reversed-phase ion-pair high-performance liquid chromatography has been developed. It involves the use of an octadecylsilane column as the stationary phase with methanol, water, tetrahydrofuran, phosphoric acid mixtures as mobile phase including sodium dioctylsulphosuccinate as the ion-pair agent. The pH of the mobile phase was adjusted to 4.6 by means of phosphoric acid and ammonium hydroxide solutions. The proposed method involves the simple dilution of the samples with the mobile phase and the addition of metoclopramide hydrochloride as the internal standard. The active ingredients under investigation were chlorpheniramine, codeine, diphenhydramine, ephedrine, ethylmorphine, phenylephrine, phenylpropanolamine and pholcodine, which exist as various combinations in cough-cold mixtures. The optimum composition of the mobile phase and the optimum flow rate were determined and are reported. The method was applied to the determination of active ingredients in seven commercially available cough-cold mixtures. PMID:2577452

  9. Fundamental aspects of recoupled pair bonds. II. Recoupled pair bond dyads in carbon and sulfur difluoride

    SciTech Connect

    Dunning, Thom H. Takeshita, Tyler Y.; Xu, Lu T.

    2015-01-21

    Formation of a bond between a second ligand and a molecule with a recoupled pair bond results in a recoupled pair bond dyad. We examine the recoupled pair bond dyads in the a{sup 3}B{sub 1} states of CF{sub 2} and SF{sub 2}, which are formed by the addition of a fluorine atom to the a{sup 4}Σ{sup −} states of CF and SF, both of which possess recoupled pair bonds. The two dyads are very different. In SF{sub 2}, the second FS–F bond is very strong (D{sub e} = 106.3 kcal/mol), the bond length is much shorter than that in the SF(a{sup 4}Σ{sup −}) state (1.666 Å versus 1.882 Å), and the three atoms are nearly collinear (θ{sub e} = 162.7°) with only a small barrier to linearity (0.4 kcal/mol). In CF{sub 2}, the second FC–F bond is also very strong (D{sub e} = 149.5 kcal/mol), but the bond is only slightly shorter than that in the CF(a{sup 4}Σ{sup −}) state (1.314 Å versus 1.327 Å), and the molecule is strongly bent (θ{sub e} = 119.0°) with an 80.5 kcal/mol barrier to linearity. The a{sup 3}B{sub 1} states of CF{sub 2} and SF{sub 2} illustrate the fundamental differences between recoupled pair bond dyads formed from 2s and 3p lone pairs.

  10. Risk of Lyme disease: perceptions of residents of a Lone Star tick-infested community.

    PubMed Central

    Armstrong, P. M.; Brunet, L. R.; Spielman, A.; Telford, S. R.

    2001-01-01

    BACKGROUND: Lone Star ticks (Amblyomma americanum) have been suggested as a vector of the agent of Lyme disease (Borrelia burgdorferi sensu lato) in the USA, based on associations with an infection manifesting mainly as erythema migrans. In laboratory experiments, however, they failed to transmit B. burgdorferi sensu stricto. METHODS: In this study, carried out from 1994 to 1996, we determined the seroprevalences of B. burgdorferi (1.2%), Ehrlichia chaffeensis (7%), E. phagocytophila (0%), Rickettsia rickettsii (0%), R. typhi (0%), Coxiella burneti (0%), Francisella tularensis (0%), and Babesia microti (0%) by standard serological methods for 325 residents (97% of the total population) of Gibson Island, coastal Maryland, USA, where 15% of the residents reported having had Lyme disease within a recent 5-year span. FINDINGS: Of the 167 seronegative individuals who were followed up prospectively for 235 person-years of observation, only 2 (0.85%) seroconverted for B. burgdorferi. Of 1556 ticks submitted from residents, 95% were identified as Lone Star ticks; only 3% were deer ticks (Ixodes dammini), the main American vector of Lyme disease. B. burgdorferi s.s. infected 20% of host-seeking immature deer ticks, and borreliae ("B. lonestari") were detected in 1-2% of Lone Star ticks. Erythema migrans was noted in 65% of self-reports of Lyme disease, but many such reports indicated that the rash was present while the tick was still attached, suggesting a reaction to the bite itself rather than true Lyme disease. Sera from individuals reporting Lyme disease generally failed to react to B. burgdorferi or any other pathogen antigens. CONCLUSION: The residents of Gibson Island had an exaggerated perception of the risk of Lyme disease because they were intensely infested with an aggressively human-biting and irritating nonvector tick. In addition, a Lyme disease mimic of undescribed etiology (named Masters' disease) seems to be associated with Lone Star ticks, and may confound

  11. Identification of homologous pairing and strand-exchange activity from a human tumor cell line based on Z-DNA affinity chromatography

    SciTech Connect

    Fishel, R.A.; Detmer, K.; Rich, A.

    1988-01-01

    An enzymatic activity that catalyzes ATP-dependent homologous pairing and strand exchange of duplex linear DNA and single-stranded circular DNA has been purified several thousand-fold from a human leukemic T-lymphoblast cell line. The activity was identified after chromatography of nuclear proteins on a Z-DNA column matrix. The reaction was shown to transfer the complementary single strand from a donor duplex linear substrate to a viral circular single-stranded acceptor beginning at the 5' end and proceeding in the 3' direction. Products of the strand-transfer reaction were characterized by electron microscopy. A 74-kDa protein was identified as the major ATP-binding peptide in active strand transferase fractions. The protein preparation described in this report binds more strongly to Z-DNA than to B-DNA.

  12. Using interviews and peer pairs to better understand how school environments affect young children's playground physical activity levels: a qualitative study.

    PubMed

    Parrish, Anne-Maree; Yeatman, Heather; Iverson, Don; Russell, Ken

    2012-04-01

    School break times provide a daily opportunity for children to be active; however, research indicates this time is underutilized. Reasons for low children's playground activity levels have primarily focused on physical barriers. This research aimed to contribute to physical environmental findings affecting children's playground physical activity levels by identifying additional variables through the interview process. Thirteen public schools were included in the sample (total 2946 children). Physical activity and environmental data were collected over 3 days. Environmental variables were manually assessed at each of the 13 schools. Observational data were used to determine which three schools were the most and least active. The principal, three teachers and 20 students in Grades 4-6 from these six schools (four lower and two average socioeconomic status) were invited to participate in the interview process. Student interviews involved the paired interview technique. The main themes generated from the school interviews included the effect of non-fixed equipment (including balls), playground markings, playground aesthetics, activity preference, clothing, the amount of break time available for play, teacher playground involvement, gender, bullying, school policies, student confidence in break-time activity and fundamental movement skills. The effect of bullying on playground physical activity levels was concerning. PMID:21712499

  13. Genetic variation at the delta-sarcoglycan (SGCD) locus elevates heritable sympathetic nerve activity in human twin pairs

    PubMed Central

    Hightower, C. Makena; Zhang, Kuixing; Miramontes-González, José Pablo; Rao, Fangwen; Wei, Zhiyun; Schork, Andrew J.; Nievergelt, Caroline M.; Biswas, Nilima; Mahata, Manjula; Elkelis, Nina; Taupenot, Laurent; Stridsberg, Mats; Ziegler, Michael G.; O'Connor, Daniel T.

    2013-01-01

    The Syrian Cardiomyopathic Hamster (BIO-14.6/53.58 strains) model of cardiac failure, resulting from naturally occurring deletion at the SGCD (delta-sarcoglycan) locus, displays widespread disturbances in catecholamine metabolism. Rare Mendelian myopathy disorders of human SGCD occur, though common naturally occurring SGCD genetic variation has not been evaluated for effects on human norepinephrine (NE) secretion. This study investigated the effect of SGCD genetic variation on control of NE secretion in healthy twin pairs. Genetic associations profiled SNPs across the SGCD locus. Trait heritability (h2) and genetic covariance (pleiotropy; shared h2) were evaluated. Sympathochromaffin exocytosis in vivo was probed in plasma by both catecholamines and CHGB. Plasma NE is substantially heritable (P=3.19E-16, at 65.2±5.0% of trait variance), sharing significant (P<0.05) genetic determination with circulating and urinary catecholamines, CHGB, eGFR and several cardio-metabolic traits. Participants with higher pNE showed significant (P<0.05) differences in several traits, including increased BP and hypertension risk factors. Peak SGCD variant rs1835919 predicted elevated systemic vascular compliance, without changes in specifically myocardial traits. We used a chimeric regulated secretory pathway photoprotein (CHGA-EAP) to evaluate the effect of SGCD on the exocytotic pathway in transfected PC12 cells; in transfected cells, expression of SGCD augmented CHGA trafficking into the exocytotic regulated secretory pathway. Thus our investigation determined human NE secretion to be a highly heritable trait, influenced by common genetic variation within the SGCD locus. Circulating NE aggregates with BP and hypertension risk factors. Additionally, coordinate NE and CHGB elevation by rs1835919 implicates exocytosis as the mechanism of release. PMID:23786442

  14. Genetic variation at the delta-sarcoglycan (SGCD) locus elevates heritable sympathetic nerve activity in human twin pairs.

    PubMed

    Hightower, C Makena; Zhang, Kuixing; Miramontes-González, José P; Rao, Fangwen; Wei, Zhiyun; Schork, Andrew J; Nievergelt, Caroline M; Biswas, Nilima; Mahata, Manjula; Elkelis, Nina; Taupenot, Laurent; Stridsberg, Mats; Ziegler, Michael G; O'Connor, Daniel T

    2013-12-01

    The Syrian Cardiomyopathic Hamster (BIO-14.6/53.58 strains) model of cardiac failure, resulting from naturally occurring deletion at the SGCD (delta-sarcoglycan) locus, displays widespread disturbances in catecholamine metabolism. Rare Mendelian myopathy disorders of human SGCD occur, although common naturally occurring SGCD genetic variation has not been evaluated for effects on human norepinephrine (NE) secretion. This study investigated the effect of SGCD genetic variation on control of NE secretion in healthy twin pairs. Genetic associations profiled SNPs across the SGCD locus. Trait heritability (h(2)) and genetic covariance (pleiotropy; shared h(2)) were evaluated. Sympathochromaffin exocytosis in vivo was probed in plasma by both catecholamines and Chromogranin B (CHGB). Plasma NE is substantially heritable (p = 3.19E-16, at 65.2 ± 5.0% of trait variance), sharing significant (p < 0.05) genetic determination with circulating and urinary catecholamines, CHGB, eGFR, and several cardio-metabolic traits. Participants with higher pNE showed significant (p < 0.05) differences in several traits, including increased BP and hypertension risk factors. Peak SGCD variant rs1835919 predicted elevated systemic vascular compliance, without changes in specifically myocardial traits. We used a chimeric-regulated secretory pathway photoprotein (CHGA-EAP) to evaluate the effect of SGCD on the exocytotic pathway in transfected PC12 cells; in transfected cells, expression of SGCD augmented CHGA trafficking into the exocytotic regulated secretory pathway. Thus, our investigation determined human NE secretion to be a highly heritable trait, influenced by common genetic variation within the SGCD locus. Circulating NE aggregates with BP and hypertension risk factors. In addition, coordinate NE and CHGB elevation by rs1835919 implicates exocytosis as the mechanism of release. PMID:23786442

  15. Correct disulfide pairing is required for the biological activity of crustacean androgenic gland hormone (AGH): synthetic studies of AGH.

    PubMed

    Katayama, Hidekazu; Hojo, Hironobu; Ohira, Tsuyoshi; Ishii, Akira; Nozaki, Takamichi; Goto, Kiyomi; Nakahara, Yuko; Takahashi, Tetsuo; Hasegawa, Yuriko; Nagasawa, Hiromichi; Nakahara, Yoshiaki

    2010-03-01

    Androgenic gland hormone (AGH) of the woodlouse, Armadillidium vulgare, is a heterodimeric glycopeptide. In this study, we synthesized AGH with a homogeneous N-linked glycan using the expressed protein ligation method. Unexpectedly, disulfide bridge arrangement of a semisynthetic peptide differed from that of a recombinant peptide prepared in a baculovirus expression system, and the semisynthetic peptide showed no biological activity in vivo. To confirm that the loss of biological activity resulted from disulfide bond isomerization, AGH with a GlcNAc moiety was chemically synthesized by the selective disulfide formation. This synthetic AGH showed biological activity in vivo. These results indicate that the native conformation of AGH is not the most thermodynamically stable form, and correct disulfide linkages are important for conferring AGH activity. PMID:20092253

  16. Supernovae in paired host galaxies

    NASA Astrophysics Data System (ADS)

    Nazaryan, T. A.; Petrosian, A. R.; Hakobyan, A. A.; Adibekyan, V. Zh.; Kunth, D.; Mamon, G. A.; Turatto, M.; Aramyan, L. S.

    2014-12-01

    We investigate the influence of close neighbor galaxies on the properties of supernovae (SNe) and their host galaxies using 56 SNe located in pairs of galaxies with different levels of star formation (SF) and nuclear activity. The mean distance of type II SNe from nuclei of hosts is greater by about a factor of 2 than that of type Ibc SNe. For the first time it is shown that SNe Ibc are located in pairs with significantly smaller difference of radial velocities between components than pairs containing SNe Ia and II. We consider this as a result of higher star formation rate (SFR) of these closer systems of galaxies. SN types are not correlated with the luminosity ratio of host and neighbor galaxies in pairs. The orientation of SNe with respect to the preferred direction toward neighbor galaxy is found to be isotropic and independent of kinematical properties of the galaxy pair.

  17. Lonely Barchans

    NASA Technical Reports Server (NTRS)

    2006-01-01

    3 March 2006 This Mars Global Surveyor (MGS) Mars Orbiter Camera (MOC) image shows two barchan dunes in the north polar region of Mars. The orientation of the dunes, with the steep faces pointed toward the southeast (lower right), indicates that the winds responsible for their formation blew from the northwest (upper left). At the time this image was acquired by MOC, the dunes and surrounding plains were covered by seasonal carbon dioxide frost.

    Location near: 73.8oN, 40.8oW Image width: 3 km (1.9 mi) Illumination from: lower left Season: Northern Winter

  18. Lone Star

    ERIC Educational Resources Information Center

    Eisele-Dyrli, Kurt

    2010-01-01

    In education, Texas has been a source of both controversy and innovation. According to Don McAdams, founder and president of the Houston-based school-board training and consulting firm Center for the Reform of School Systems, every state is different and unique in its education system, but Texas is one state that is really different and unique.…

  19. Barriers to Social Participation among Lonely Older Adults: The Influence of Social Fears and Identity

    PubMed Central

    Goll, Johanna C.; Charlesworth, Georgina; Scior, Katrina; Stott, Joshua

    2015-01-01

    Introduction Loneliness among older adults is a major public health problem that may be associated with processes of social participation and identity. This study therefore sought to examine the relationship between social participation and identity in a sample of lonely older adults living independently in London, England. Method An inductive qualitative approach, based on semi-structured interviews and thematic analysis, was employed. Results Participants commonly spoke of barriers to social participation that have been reported elsewhere, including illness/disability, loss of contact with friends/relatives, lack of a supportive community, and lack of acceptable social opportunities. However, novel findings were also derived. In particular, participants commonly minimised the difficulties they faced alone, and described attempts to avoid social opportunities. These behaviours were linked to fears about engaging in social participation opportunities, including fears of social rejection and/or exploitation, and fears of losing valued aspects of identity. Discussion It is concluded that social participation amongst lonely older people will not improve through the removal of previously reported barriers alone; instead, older peoples’ beliefs, fears and identities must be addressed. Suggestions for implementing these findings within community organisations are provided. PMID:25706933

  20. Lone star tick abundance, fire, and bison grazing in tall-grass prairie

    USGS Publications Warehouse

    Cully, J.F., Jr.

    1999-01-01

    Lone star ticks (Amblyomma americanum L.) were collected by drag samples of 1 km transects on 12 watersheds at Konza Prairie Research Natural Area near Manhattan, Kans., during summer 1995-1996. Watersheds were treated to 2 experimental treatments: 3 burn intervals (1-year, 4-year, and 20-year) and 2 grazing treatments (grazed by bison (Bos bison L.) or ungrazed). The objectives were to determine whether fire interval, time since most recent burn, and the presence of large ungulate grazers would cause changes in lone star tick abundance in tallgrass prairie in central Kansas. Watersheds burned at 1-year intervals had fewer larvae and adults than watersheds burned at 4-year or 20-year intervals. Watersheds burned during the year of sampling had fewer ticks than watersheds burned one or more years in the past. For watersheds burned 1 or more years in the past there was no effect from time since burn. The presence of bison did not affect tick abundance. Spring burning is an effective method to reduce tick populations in tallgrass prairie during the year of the burn.

  1. Devolution--a solution for Ontario: could the lone wolf lead the pack?

    PubMed

    Flood, Colleen M; Sinclair, Duncan

    2004-01-01

    In response to what we describe as the "accountability gap" in healthcare, nine provinces have embraced the devolution of management responsibility and authority from central government administrations to regional health authorities. Ontario, Canada's most populous province, is the lone wolf. This commentary focuses on the consequences of Ontario's reluctance to adopt devolution. The authors argue that devolution is an important first step in improving the lines of accountability within publicly funded healthcare; however, as a reform initiative, devolution must form part of a series of interlocking initiatives. These complementary reforms include refocusing the debate from funding (money) to governance, clarifying the governance roles of both the federal and provincial governments and developing an incentive- and information-based system that is geared more to rewarding gains in healthcare outcomes as opposed to the delivery of health services. With a new government in Ontario, there is now a window of opportunity to capitalize on the experiences and failures of other provinces and for Ontario to emerge as the leader of the pack, rather than the lone wolf. PMID:15496819

  2. Synthesis and antibacterial activity of sulfonamides. SAR and DFT studies

    NASA Astrophysics Data System (ADS)

    Boufas, Wahida; Dupont, Nathalie; Berredjem, Malika; Berrezag, Kamel; Becheker, Imène; Berredjem, Hajira; Aouf, Nour-Eddine

    2014-09-01

    A series of substituted sulfonamide derivatives were synthesized from chlorosulfonyl isocyanate (CSI) in tree steps (carbamoylation, sulfamoylation and deprotection). Antibacterial activity in vitro of some newly formed compounds investigated against clinical strains Gram-positive and Gram-negative: Escherichia coli and Staphylococcus aureus applying the method of dilution and minimal inhibition concentration (MIC) methods. These compounds have significant bacteriostatic activity with totalities of bacterial strains used. DFT calculations with B3LYP/6-31G(d) level have been used to analyze the electronic and geometric characteristics deduced for the stable structure of three compounds presenting conjugation between a nitrogen atom N through its lone pair and an aromatic ring next to it. The principal quantum chemical descriptors have been correlated with the antibacterial activity.

  3. A study on self-assembled activation by Pd/Sn colloids

    NASA Astrophysics Data System (ADS)

    Wang, Guixiang; Li, Ning; Dong, Guojun

    2007-07-01

    3-Aminopropyltriethoxysilane (APTS) was used to form self-assembled molecular layers on ABS plastics surface and changed surface electrification. The processes were investigated by X-ray photoelectron spectra (XPS). After APTS treatment, the surface has some hydroxyl group which has hydrophilicity and the contact angle of ABS surface reduced. APTS-modified ABS surface has C, O, N and Si element and the results show that APTS was bonded on ABS surface. It was turned out that N and O element formed chemical bond with the ABS surface. The outermost electron configuration of Pd 2+ is 4d 85s 0p 0 and adopted dsp 2 hybridization commonly. The electron wasn't filled with d orbital. O has two lone pair electrons while N has one lone pair electron, which can place the Pd vacancy orbital forming O-Pd or N-Pd σcoordinate bond. Based on XPS result, we proposed the mechanism for hydrolyzing of APTS in alcohol solution, APTS adsorbing on ABS plastics surface and its effect in activation process. After APTS hydrolyzed in water solution and forms 3-Aminopropyltrihydroxysilane which condensed in alcohol solution at 65°C and forming copolymer. The copolymer self-assembled on ABS surface and after hydrolyzing can form --O-- bond which react with Pd 0 in succedent steps. After modification with APTS, the amount of adsorption of Pd/Sn colloids increased from 0.95mg/dm2 to 1.07mg/dm2.

  4. DETERMINATION OF THE POINT-SPREAD FUNCTION FOR THE FERMI LARGE AREA TELESCOPE FROM ON-ORBIT DATA AND LIMITS ON PAIR HALOS OF ACTIVE GALACTIC NUCLEI

    SciTech Connect

    Ackermann, M.; Ajello, M.; Allafort, A.; Bechtol, K.; Bloom, E. D.; Borgland, A. W.; Bottacini, E.; Buehler, R.; Asano, K.; Atwood, W. B.; Baldini, L.; Bellazzini, R.; Bregeon, J.; Ballet, J.; Bastieri, D.; Bonamente, E.; Brandt, T. J.; Brigida, M.; Bruel, P. E-mail: mar0@uw.edu [Laboratoire Leprince-Ringuet, Ecole polytechnique, CNRS and others

    2013-03-01

    The Large Area Telescope (LAT) on the Fermi Gamma-ray Space Telescope is a pair-conversion telescope designed to detect photons with energies from Almost-Equal-To 20 MeV to >300 GeV. The pre-launch response functions of the LAT were determined through extensive Monte Carlo simulations and beam tests. The point-spread function (PSF) characterizing the angular distribution of reconstructed photons as a function of energy and geometry in the detector is determined here from two years of on-orbit data by examining the distributions of {gamma} rays from pulsars and active galactic nuclei (AGNs). Above 3 GeV, the PSF is found to be broader than the pre-launch PSF. We checked for dependence of the PSF on the class of {gamma}-ray source and observation epoch and found none. We also investigated several possible spatial models for pair-halo emission around BL Lac AGNs. We found no evidence for a component with spatial extension larger than the PSF and set upper limits on the amplitude of halo emission in stacked images of low- and high-redshift BL Lac AGNs and the TeV blazars 1ES0229+200 and 1ES0347-121.

  5. Keck/ESI Long-slit Spectroscopy of SBS 1421+511: A Recoiling Quasar Nucleus in an Active Galaxy Pair?

    NASA Astrophysics Data System (ADS)

    Sun, Luming; Zhou, Hongyan; Hao, Lei; Jiang, Peng; Ge, Jian; Ji, Tuo; Ma, Jingzhe; Zhang, Shaohua; Shu, Xinwen

    2016-02-01

    We present Keck/Echellette Spectrograph and Imager long-slit spectroscopy of SBS 1421+511, a system consisting of a quasar at z = 0.276 and an extended source 3″ north of the quasar. The quasar shows a blue-skewed profile of Balmer broad emission lines, which can be well modeled as emissions from a circular disk with a blueshift velocity of ˜1400 km s-1. The blueshift is better interpreted as resulting from a recoiling active black hole than from a super-massive black hole binary, since the line profile almost kept steady for over one decade in the quasar rest frame. Alternative interpretations are possible as well, such as emissions from a bipolar outflow or a circular disk with spiral emissivity perturbations. The extended source shows Seyfert-like narrow-line ratios and a [O iii] luminosity of \\gt 1.4× {10}8{L}⊙ , with almost the same redshift as the quasar and a projected distance of 12.5 kpc at the redshift. SBS 1421+511 is thus likely to be an interacting galaxy pair with a dual active galactic nucleus. Alternatively, the quasar companion only appears to be active but not necessarily so: the gas before/in/behind the companion galaxy is illuminated by the quasar as an extended emission-line region is detected at a similar distance in the opposite direction southern to the quasar, which may be generated either by tidal interactions between the galaxy pair or large-scale outflows from the quasar.

  6. A flipped ion pair at the dynein–microtubule interface is critical for dynein motility and ATPase activation

    PubMed Central

    Uchimura, Seiichi; Fujii, Takashi; Takazaki, Hiroko; Ayukawa, Rie; Nishikawa, Yosuke; Minoura, Itsushi; Hachikubo, You; Kurisu, Genji; Sutoh, Kazuo; Kon, Takahide; Namba, Keiichi

    2015-01-01

    Dynein is a motor protein that moves on microtubules (MTs) using the energy of adenosine triphosphate (ATP) hydrolysis. To understand its motility mechanism, it is crucial to know how the signal of MT binding is transmitted to the ATPase domain to enhance ATP hydrolysis. However, the molecular basis of signal transmission at the dynein–MT interface remains unclear. Scanning mutagenesis of tubulin identified two residues in α-tubulin, R403 and E416, that are critical for ATPase activation and directional movement of dynein. Electron cryomicroscopy and biochemical analyses revealed that these residues form salt bridges with the residues in the dynein MT-binding domain (MTBD) that work in concert to induce registry change in the stalk coiled coil and activate the ATPase. The R403-E3390 salt bridge functions as a switch for this mechanism because of its reversed charge relative to other residues at the interface. This study unveils the structural basis for coupling between MT binding and ATPase activation and implicates the MTBD in the control of directional movement. PMID:25583999

  7. Ion Pair-π Interactions.

    PubMed

    Fujisawa, Kaori; Humbert-Droz, Marie; Letrun, Romain; Vauthey, Eric; Wesolowski, Tomasz A; Sakai, Naomi; Matile, Stefan

    2015-09-01

    We report that anion-π and cation-π interactions can occur on the same aromatic surface. Interactions of this type are referred to as ion pair-π interactions. Their existence, nature, and significance are elaborated in the context of spectral tuning, ion binding in solution, and activation of cell-penetrating peptides. The origin of spectral tuning by ion pair-π interactions is unraveled with energy-minimized excited-state structures: The solvent- and pH-independent red shift of absorption and emission of push-pull fluorophores originates from antiparallel ion pair-π attraction to their polarized excited state. In contrast, the complementary parallel ion pair-π repulsion is spectroscopically irrelevant, in part because of charge neutralization by intriguing proton and electron transfers on excited push-pull surfaces. With time-resolved fluorescence measurements, very important differences between antiparallel and parallel ion pair-π interactions are identified and quantitatively dissected from interference by aggregation and ion pair dissociation. Contributions from hydrogen bonding, proton transfer, π-π interactions, chromophore twisting, ion pairing, and self-assembly are systematically addressed and eliminated by concise structural modifications. Ion-exchange studies in solution, activation of cell-penetrating peptides in vesicles, and computational analysis all imply that the situation in the ground state is complementary to spectral tuning in the excited state; i.e., parallel rather than antiparallel ion pair-π interactions are preferred, despite repulsion from the push-pull dipole. The overall quite complete picture of ion pair-π interactions provided by these remarkably coherent yet complex results is expected to attract attention throughout the multiple disciplines of chemistry involved. PMID:26291550

  8. High specific selectivity and Membrane-Active Mechanism of the synthetic centrosymmetric α-helical peptides with Gly-Gly pairs

    PubMed Central

    Wang, Jiajun; Chou, Shuli; Xu, Lin; Zhu, Xin; Dong, Na; Shan, Anshan; Chen, Zhihui

    2015-01-01

    We used a template-assisted approach to develop synthetic antimicrobial peptides, which differ from naturally occurring antimicrobial peptides that can compromise host natural defenses. Previous researches have demonstrated that symmetrical distribution patterns of amino acids contribute to the antimicrobial activity of natural peptides. However, there is little research describing such design ideas for synthetic α-helical peptides. Therefore, here, we established a centrosymmetric α-helical sequence template (y + hhh + y)n (h, hydrophobic amino acid; +, cationic amino acid; y, Gly or hydrophobic amino acid), which contributed to amphipathicity, and a series of centrosymmetric peptides was designed with pairs of small amino acids (Ala and Gly), which were utilized to modulate the biological activity. The centrosymmetric peptides with 3 repeat units exhibited strong antimicrobial activity; in particular, the Gly-rich centrosymmetric peptide GG3 showed stronger selectivity for gram-negative bacteria without hemolysis. Furthermore, beyond our expectation, fluorescence spectroscopy and electron microscopy analyses indicated that the GG3, which possessed poor α-helix conformation, dramatically exhibited marked membrane destruction via inducing bacterial membrane permeabilization, pore formation and disruption, even bound DNA to further exert antimicrobial activity. Collectively, the Gly-rich centrosymmetric peptide GG3 was an ideal candidate for commercialization as a clinical therapeutic to treat gram-negative bacterial infections. PMID:26530005

  9. Starting School and Leaving Welfare: The Impact of Public Education on Lone Parents' Welfare Receipt. CEE DP 121

    ERIC Educational Resources Information Center

    Brewer, Mike; Crawford, Claire

    2010-01-01

    The report makes use of rich administrative data (the Work and Pensions Longitudinal Study) which records children's exact date of birth and home postcode (used to identify the admissions policy in each lone parent's local authority). It improves on previous studies by estimating the precise timing (relative to the date on which part-time nursery…

  10. In vitro membrane feeding of the lone star tick (Amblyomma americanum) and its use in evaluation of acaricidal compounds

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The lone star tick, Amblyomma americanum, is one of important Ixodid tick species that are known ectoparasites and disease vectors affecting animal and human health in the United States. New pesticides or repellents with novel mode of action would help control resistant ticks and protect humans from...

  11. Solvent, drying time, and the responses of lone star ticks (acari: ixodidae) to the repellents deet and picaridin

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Behavioral bioassays remain a standard tool in the discovery, development, and registration of repellents. Tick repellent bioassays tend to be rather uncomplicated, but several factors can influence their outcomes. Using lone star tick, Amblyomma americanum (L.), nymphs in climbing bioassays, we tes...

  12. The role of adolescent nutrition and physical activity in the prediction of verbal intelligence during early adulthood: a genetically informed analysis of twin pairs.

    PubMed

    Jackson, Dylan B; Beaver, Kevin M

    2015-01-01

    A large body of research has revealed that nutrition and physical activity influence brain functioning at various stages of the life course. Nevertheless, very few studies have explored whether diet and exercise influence verbal intelligence as youth transition from adolescence into young adulthood. Even fewer studies have explored the link between these health behaviors and verbal intelligence while accounting for genetic and environmental factors that are shared between siblings. Employing data from the National Longitudinal Study of Adolescent Health, the current study uses a sample of same-sex twin pairs to test whether youth who engage in poorer fitness and nutritional practices are significantly more likely to exhibit reduced verbal intelligence during young adulthood. The results suggests that, independent of the effects of genetic and shared environmental factors, a number of nutritional and exercise factors during adolescence influence verbal intelligence during adulthood. Limitations are noted and suggestions for future research are outlined. PMID:25568969

  13. Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system--developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.

    PubMed

    Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard

    2015-05-28

    A convenient way to a new class of geminal Mes2PH(+)/B(C6F5)2H(-) pairs is presented. It utilizes triflic acid addition to trans-Mes2PCH=CHB(C6F5)2 followed by triflate/hydride exchange. Thermally induced ring-closure gave a phosphonium/boratacyclopropane zwitterion 8 which formed the Mes2PH(CHMe)B(C6F5)2H P/B FLP-H2 product 10 by subsequent treatment with triflic acid and a silane, or alternatively with dihydrogen at 90 °C. The product 10 is an active catalyst for the hydrogenation of a variety of unsaturated organic substrates, including a quinoline derivative. Treatment of compound 8 with HB(C6F5)2 gave a bifunctional borane 14 which selectively reduced carbon monoxide to the formyl stage. PMID:25906412

  14. The Role of Adolescent Nutrition and Physical Activity in the Prediction of Verbal Intelligence during Early Adulthood: A Genetically Informed Analysis of Twin Pairs

    PubMed Central

    Jackson, Dylan B.; Beaver, Kevin M.

    2015-01-01

    A large body of research has revealed that nutrition and physical activity influence brain functioning at various stages of the life course. Nevertheless, very few studies have explored whether diet and exercise influence verbal intelligence as youth transition from adolescence into young adulthood. Even fewer studies have explored the link between these health behaviors and verbal intelligence while accounting for genetic and environmental factors that are shared between siblings. Employing data from the National Longitudinal Study of Adolescent Health, the current study uses a sample of same-sex twin pairs to test whether youth who engage in poorer fitness and nutritional practices are significantly more likely to exhibit reduced verbal intelligence during young adulthood. The results suggests that, independent of the effects of genetic and shared environmental factors, a number of nutritional and exercise factors during adolescence influence verbal intelligence during adulthood. Limitations are noted and suggestions for future research are outlined. PMID:25568969

  15. Genome differentiation in a species pair of coregonine fishes: an extremely rapid speciation driven by stress-activated retrotransposons mediating extensive ribosomal DNA multiplications

    PubMed Central

    2013-01-01

    Background Sympatric species pairs are particularly common in freshwater fishes associated with postglacial lakes in northern temperate environments. The nature of divergences between co-occurring sympatric species, factors contributing to reproductive isolation and modes of genome evolution is a much debated topic in evolutionary biology addressed by various experimental tools. To the best of our knowledge, nobody approached this field using molecular cytogenetics. We examined chromosomes and genomes of one postglacial species pair, sympatric European winter-spawning Coregonus albula and the local endemic dwarf-sized spring-spawning C. fontanae, both originating in Lake Stechlin. We have employed molecular cytogenetic tools to identify the genomic differences between the two species of the sympatric pair on the sub-chromosomal level of resolution. Results Fluorescence in situ hybridization (FISH) experiments consistently revealed a distinct variation in the copy number of loci of the major ribosomal DNA (the 45S unit) between C. albula and C. fontanae genomes. In C. fontanae, up to 40 chromosomes were identified to bear a part of the major ribosomal DNA, while in C. albula only 8–10 chromosomes possessed these genes. To determine mechanisms how such extensive genome alternation might have arisen, a PCR screening for retrotransposons from genomic DNA of both species was performed. The amplified retrotransposon Rex1 was used as a probe for FISH mapping onto chromosomes of both species. These experiments showed a clear co-localization of the ribosomal DNA and the retrotransposon Rex1 in a pericentromeric region of one or two acrocentric chromosomes in both species. Conclusion We demonstrated genomic consequences of a rapid ecological speciation on the level undetectable by neither sequence nor karyotype analysis. We provide indirect evidence that ribosomal DNA probably utilized the spreading mechanism of retrotransposons subsequently affecting recombination rates

  16. Base pairing and base mis-pairing in nucleic acids

    NASA Technical Reports Server (NTRS)

    Wang, A. H. J.; Rich, A.

    1986-01-01

    In recent years we have learned that DNA is conformationally active. It can exist in a number of different stable conformations including both right-handed and left-handed forms. Using single crystal X-ray diffraction analysis we are able to discover not only additional conformations of the nucleic acids but also different types of hydrogen bonded base-base interactions. Although Watson-Crick base pairings are the predominant type of interaction in double helical DNA, they are not the only types. Recently, we have been able to examine mismatching of guanine-thymine base pairs in left-handed Z-DNA at atomic resolution (1A). A minimum amount of distortion of the sugar phosphate backbone is found in the G x T pairing in which the bases are held together by two hydrogen bonds in the wobble pairing interaction. Because of the high resolution of the analysis we can visualize water molecules which fill in to accommodate the other hydrogen bonding positions in the bases which are not used in the base-base interactions. Studies on other DNA oligomers have revealed that other types of non-Watson-Crick hydrogen bonding interactions can occur. In the structure of a DNA octamer with the sequence d(GCGTACGC) complexed to an antibiotic triostin A, it was found that the two central AT base pairs are held together by Hoogsteen rather than Watson-Crick base pairs. Similarly, the G x C base pairs at the ends are also Hoogsteen rather than Watson-Crick pairing. Hoogsteen base pairs make a modified helix which is distinct from the Watson-Crick double helix.

  17. VLBI DETECTION OF AN ACTIVE GALACTIC NUCLEUS PAIR IN THE BINARY BLACK HOLE CANDIDATE SDSS J1536+0441

    SciTech Connect

    Bondi, M.; Perez-Torres, M.-A.

    2010-05-10

    We present the first pc-scale radio imaging of the radio-quiet candidate binary black hole system SDSS J1536+0441. The observations were carried out by the European VLBI Network at a frequency of 5 GHz, allowing the imaging of SDSS J1536+0441 with a resolution of {approx}10 mas ({approx}50 pc). Two compact radio cores are detected at the position of the kpc-scale components VLA-A and VLA-B, proving the presence of two compact active nuclei with radio luminosity L{sub R} {approx} 10{sup 40} erg s{sup -1}, thus ruling out the possibility that both radio sources are powered by a 0.1 pc binary black hole. From a comparison with published 8.5 GHz flux densities, we derived an estimate of the radio spectral index of the two pc-scale cores. Both cores have a flat or an inverted spectral index, and at least for the case of VLA-A we can rule out the possibility that synchrotron self-absorption is responsible for the inverted radio spectrum. We suggest that thermal free-free emission from an X-ray-heated disk wind may be powering the radio emission in VLA-A.

  18. A Multi-Method Experiment to Investigate Geyser Dynamics: Lone Star Geyser, Yellowstone National Park

    NASA Astrophysics Data System (ADS)

    Hurwitz, S.; Vandemeulebrouck, J.; Johnston, M. J.; Sohn, R. A.; Karlstrom, L.; Rudolph, M. L.; Murphy, F.; McPhee, D. K.; Glen, J. M.; Soule, S. A.; Pontbriand, C.; Meertens, C. M.

    2011-12-01

    Geysers are intermittently discharging hot springs that are driven by steam and non-condensable gas. They provide unique opportunities to study multiphase eruption processes and the geophysical signals they induce. In September 2010 we carried out a four-day experiment at Lone Star Geyser in Yellowstone National Park. The geyser is located about 5 km SSE of Old Faithful Geyser and 75 m north of the Upper Firehole River. Lone Star is a cone geyser that was selected for the experiment because it is isolated from other geysers, its eruptions are vigorous and voluminous, and its eruption intervals are relatively constant and predictable, occurring approximately every 3 hours. We made measurements during 32 eruption cycles using a suite of instruments including a broadband seismometer, 2 microphones, 5 platform tiltmeters, 3 collimating InfraRed sensors, 2 gravimeters, 2 self-potential sensors, 2 Light Detection And Ranging (LiDAR) scanners, a Forward Looking InfraRed (FLIR) camera, high-speed video cameras, and stream gauging. We also integrated meteorological data from nearby weather stations. The large dataset acquired during the experiment allows for the detection of a myriad of processes in the subsurface and in the erupting column at many different frequencies. The analyzed data yield new insights on multiphase eruptive processes that have implications for understanding self-organized, intermittent processes in nature that result from phase separation and localized input of energy and mass. The geophysical signals recorded during the experiment allow comparison with signals recorded in more complex volcanic systems where gas-driven and magma-driven processes are often hard to distinguish.

  19. Paired immunoglobulin-like receptor (PIR)-A is involved in activating mast cells through its association with Fc receptor gamma chain.

    PubMed

    Maeda, A; Kurosaki, M; Kurosaki, T

    1998-09-01

    Paired immunoglobulin-like receptor (PIR)-A and PIR-B possess similar ectodomains with six immunoglobulin-like loops, but have distinct transmembrane and cytoplasmic domains. PIR-B bears immunoreceptor tyrosine-based inhibitory motif (ITIM) sequences in its cytoplasmic domain that recruit Src homology (SH)2 domain-containing tyrosine phosphatases SHP-1 and SHP-2, leading to inhibition of B and mast cell activation. In contrast, the PIR-A protein has a charged Arg residue in its transmembrane region and a short cytoplasmic domain that lacks ITIM sequences. Here we show that Fc receptor gamma chain, containing an immunoreceptor tyrosine-based activation motif (ITAM), associates with PIR-A. Cross-linking of this PIR-A complex results in mast cell activation such as calcium mobilization in an ITAM-dependent manner. Thus, our data provide evidence for the existence of two opposite signaling pathways upon PIR aggregation. PIR-A induces the stimulatory signal by using ITAM in the associated gamma chain, whereas PIR-B mediates the inhibitory signal through its ITIMs. PMID:9730901

  20. A Tale of Two Narrow-line Regions: Ionization, Kinematics, and Spectral Energy Distributions for a Local Pair of Merging Obscured Active Galaxies

    NASA Astrophysics Data System (ADS)

    Hainline, Kevin N.; Hickox, Ryan C.; Chen, Chien-Ting; Carroll, Christopher M.; Jones, Mackenzie L.; Zervos, Alexandros S.; Goulding, Andrew D.

    2016-05-01

    We explore the gas ionization and kinematics, as well as the optical-IR spectral energy distributions for UGC 11185, a nearby pair of merging galaxies hosting obscured active galactic nuclei (AGNs), also known as SDSS J181611.72+423941.6 and J181609.37+423923.0 (J1816NE and J1816SW, z ≈ 0.04). Due to the wide separation between these interacting galaxies (∼23 kpc), observations of these objects provide a rare glimpse of the concurrent growth of supermassive black holes at an early merger stage. We use BPT line diagnostics to show that the full extent of the narrow-line emission in both galaxies is photoionized by an AGN, and confirm the existence of a 10 kpc-scale ionization cone in J1816NE, while in J1816SW the AGN narrow-line region is much more compact (1–2 kpc) and relatively undisturbed. Our observations also reveal the presence of ionized gas that nearly spans the entire distance between the galaxies, which is likely in a merger-induced tidal stream. In addition, we carry out a spectral analysis of the X-ray emission using data from XMM-Newton. These galaxies represent a useful pair to explore how the [O iii] luminosity of an AGN is dependent on the size of the region used to explore the extended emission. Given the growing evidence for AGN “flickering” over short timescales, we speculate that the appearances and impacts of these AGNs may change multiple times over the course of the galaxy merger, which is especially important given that these objects are likely the progenitors of the types of systems commonly classified as “dual AGNs.”

  1. CCD Measurements of 66 Rectilinear and Probable Rectilinear Pairs:The Autumn 2015 Observing Program at Brilliant Sky Observatory, Part 1

    NASA Astrophysics Data System (ADS)

    Harshaw, Richard

    2016-04-01

    A set of 66 stars with known rectilinear solutions was observed with a CCD camera at f/30— 22 known rectilinear pairs, 18 strongly linear pairs and 26 possible linear pairs. Data reduction showed that all but one of the 22 rectilinear measurements fell within the estimated positions of the ephemerides as reported in the Fourth Catalog of Rectilinear Elements. The lone exception was only 0.040 arc seconds off the predicted value of rho. The other 44 cases show varying degrees of linearity, some probably being at the point of deriving a rectilinear solution.

  2. Homologous pairing between single-stranded DNA immobilized on a nitrocellulose membrane and duplex DNA is specific for RecA activity in bacterial crude extract.

    PubMed Central

    Bertrand, P; Corteggiani, E; Dutreix, M; Coppey, J; Lopez, B S

    1993-01-01

    Reaction between a circular single stranded and a linear double stranded DNA molecule (ssDNA and dsDNA) provides an efficient system to study recombination mediated by RecA protein. However, classical assays using reaction in solution require highly purified enzymes. This limits biochemical studies of mutant RecA proteins from Escherichia coli or of RecA proteins from other organisms. We describe here an assay that is specific for RecA activity even in bacterial crude extracts. In this assay, the ssDNA is bound to a nitrocellulose membrane, proteins are loaded on this membrane and it is then incubated with a labeled homologous dsDNA. Joint molecules are visualized by autoradiography. We have shown that, despite the reduced mobility of the DNA due to its binding to the membrane, RecA protein is able to promote formation of stable plectonemic joints, in a homology dependent manner. Fourteen other proteins involved in DNA metabolism were checked and did not produce a signal in our assay. Moreover, in Dot blot analysis as well as after native electrophoresis and electrotransfer on a ssDNA coated membrane, production of a signal was strictly dependent on the presence of active RecA protein in the bacterial crude extracts used. We named this assay Pairing On Membrane blot (POM blot). Images PMID:8367282

  3. Synthesis, characterization and SERS activity of biosynthesized silver nanoparticles

    NASA Astrophysics Data System (ADS)

    Bindhu, M. R.; Sathe, V.; Umadevi, M.

    2013-11-01

    Silver nanoparticles were rapidly synthesized using Moringa oleifera flower extract as the reducing agent shows surface plasmon resonance peak at 439 nm. The size and shape of the nanoparticles controlled by varying the concentration of M. oleifera flower extract in the reaction medium. The synthesized silver nanoparticles were well-dispersed spherical nanoparticles with the average size of 14 nm. The retinoic acid present in M. oleifera flower extract used as reducing agent and proteins was responsible for capping of the bioreduced silver nanoparticles. The obtained nanoparticle shows size-dependent SERS activity. The SERS spectrum indicates that the pyridine adsorbed on the silver surface in a stand-on orientation via its nitrogen lone pair electrons.

  4. Frustrated Lewis Pairs.

    PubMed

    Stephan, Douglas W

    2015-08-19

    The articulation of the notion of "frustrated Lewis pairs" (FLPs), which emerged from the discovery that H2 can be reversibly activated by combinations of sterically encumbered Lewis acids and bases, has prompted a great deal of recent activity. Perhaps the most remarkable consequence has been the development of FLP catalysts for the hydrogenation of a range of organic substrates. In the past 9 years, the substrate scope has evolved from bulky polar species to include a wide range of unsaturated organic molecules. In addition, effective stereoselective metal-free hydrogenation catalysts have begun to emerge. The mechanism of this activation of H2 has been explored, and the nature and range of Lewis acid/base combinations capable of effecting such activation have also expanded to include a variety of non-metal species. The reactivity of FLPs with a variety of other small molecules, including olefins, alkynes, and a range of element oxides, has also been developed. Although much of this latter chemistry has uncovered unique stoichiometric transformations, metal-free catalytic hydroamination, CO2 reduction chemistry, and applications in polymerization have also been achieved. The concept is also beginning to find applications in bioinorganic and materials chemistry as well as heterogeneous catalysis. This Perspective highlights many of these developments and discusses the relationship between FLPs and established chemistry. Some of the directions and developments that are likely to emerge from FLP chemistry in the future are also presented. PMID:26214241

  5. A Highly Reactive Geminal P/B Frustrated Lewis Pair: Expanding the Scope to C−X (X=Cl, Br) Bond Activation

    PubMed Central

    Samigullin, Kamil; Georg, Isabelle; Bolte, Michael; Lerner, Hans‐Wolfram

    2016-01-01

    Abstract The geminal frustrated Lewis pair tBu2PCH2B(Fxyl)2 (1; Fxyl=3,5‐(CF3)2C6H3) is accessible in 65 % yield from tBu2PCH2Li and (Fxyl)2BF. According to NMR spectroscopy and X‐ray crystallography, 1 is monomeric both in solution and in the solid state. The intramolecular P⋅⋅⋅B distance of 2.900(5) Å and the full planarity of the borane site exclude any significant P/B interaction. Compound 1 readily activates a broad variety of substrates including H2, EtMe2SiH, CO2/CS2, Ph2CO, and H3CCN. Terminal alkynes react with heterolysis of the C−H bond. Haloboranes give cyclic adducts with strong P−BX3 and weak R3B−X bonds. Unprecedented transformations leading to zwitterionic XP/BCX3 adducts occur on treatment of 1 with CCl4 or CBr4 in Et2O. In less polar solvents (C6H6, n‐pentane), XP/BCX3 adduct formation is accompanied by the generation of significant amounts of XP/BX adducts. FLP 1 catalyzes the hydrogenation of PhCH=NtBu and the hydrosilylation of Ph2CO with EtMe2SiH. PMID:26833900

  6. Base-pair-resolution genome-wide mapping of active RNA polymerases using precision nuclear run-on (PRO-seq).

    PubMed

    Mahat, Dig Bijay; Kwak, Hojoong; Booth, Gregory T; Jonkers, Iris H; Danko, Charles G; Patel, Ravi K; Waters, Colin T; Munson, Katie; Core, Leighton J; Lis, John T

    2016-08-01

    We provide a protocol for precision nuclear run-on sequencing (PRO-seq) and its variant, PRO-cap, which map the location of active RNA polymerases (PRO-seq) or transcription start sites (TSSs) (PRO-cap) genome-wide at high resolution. The density of RNA polymerases at a particular genomic locus directly reflects the level of nascent transcription at that region. Nuclei are isolated from cells and, under nuclear run-on conditions, transcriptionally engaged RNA polymerases incorporate one or, at most, a few biotin-labeled nucleotide triphosphates (biotin-NTPs) into the 3' end of nascent RNA. The biotin-labeled nascent RNA is used to prepare sequencing libraries, which are sequenced from the 3' end to provide high-resolution positional information for the RNA polymerases. PRO-seq provides much higher sensitivity than ChIP-seq, and it generates a much larger fraction of usable sequence reads than ChIP-seq or NET-seq (native elongating transcript sequencing). Similarly to NET-seq, PRO-seq maps the RNA polymerase at up to base-pair resolution with strand specificity, but unlike NET-seq it does not require immunoprecipitation. With the protocol provided here, PRO-seq (or PRO-cap) libraries for high-throughput sequencing can be generated in 4-5 working days. The method has been applied to human, mouse, Drosophila melanogaster and Caenorhabditis elegans cells and, with slight modifications, to yeast. PMID:27442863

  7. A pair of chiral flavonolignans as novel anti-cyanobacterial allelochemicals derived from barley straw (Hordeum vulgare): characterization and comparison of their anti-cyanobacterial activities.

    PubMed

    Xiao, Xi; Huang, Haomin; Ge, Zhiwei; Rounge, Trine B; Shi, Jiyan; Xu, Xinhua; Li, Ruobing; Chen, Yingxu

    2014-05-01

    The inhibitory effect of barley straw (Hordeum vulgare) on cyanobacteria has been observed in many field and laboratory studies for over 30 years, although the compounds responsible for this anti-cyanobacterial effect have remained unknown. In this study, a pair of chiral flavonolignans were isolated from barley straw extract using a bioassay-guided isolation procedure against Microcystis sp. The structures of the allelopathic compounds were elucidated by NMR (nuclear magnetic resonance) and HPLC-MS (high performance liquid chromatography-mass spectrometry), and turned out to be salcolin A and B. The enantiomers differ in their anti-cyanobacterial abilities. Both enantiomers exhibited inhibitory effects on Microcystis sp., and the EC50 (concentration for 50% of maximal effect) of salcolin A and B were 6.02 × 10(-5) and 9.60 × 10(-5 ) mol l(-1) , respectively. Furthermore, the modes of actions of the enantiomers were investigated and compared at a single cell level by flow cytometry. Salcolin A was found to induce an increase on cyanobacterial intracellular ROS (reactive oxygen species) levels and to inhibit esterase activity, whereas salcolin B caused leakages of cyanobacterial cytoplasms. Thus, salcolin A was more 'algistatic', and salcolin B was more 'algicidal'. This study suggests that salcolin is the key allelochemical in barley straw's inhibitory effect on cyanobacteria and could be used as an agent in the future control of cyanobacterial harmful algae blooms. PMID:24034604

  8. Rapid prefrontal cortex activation towards aversively paired faces and enhanced contingency detection are observed in highly trait-anxious women under challenging conditions

    PubMed Central

    Rehbein, Maimu Alissa; Wessing, Ida; Zwitserlood, Pienie; Steinberg, Christian; Eden, Annuschka Salima; Dobel, Christian; Junghöfer, Markus

    2015-01-01

    Relative to healthy controls, anxiety-disorder patients show anomalies in classical conditioning that may either result from, or provide a risk factor for, clinically relevant anxiety. Here, we investigated whether healthy participants with enhanced anxiety vulnerability show abnormalities in a challenging affective-conditioning paradigm, in which many stimulus-reinforcer associations had to be acquired with only few learning trials. Forty-seven high and low trait-anxious females underwent MultiCS conditioning, in which 52 different neutral faces (CS+) were paired with an aversive noise (US), while further 52 faces (CS−) remained unpaired. Emotional learning was assessed by evaluative (rating), behavioral (dot-probe, contingency report), and neurophysiological (magnetoencephalography) measures before, during, and after learning. High and low trait-anxious groups did not differ in evaluative ratings or response priming before or after conditioning. High trait-anxious women, however, were better than low trait-anxious women at reporting CS+/US contingencies after conditioning, and showed an enhanced prefrontal cortex (PFC) activation towards CS+ in the M1 (i.e., 80–117 ms) and M170 time intervals (i.e., 140–160 ms) during acquisition. These effects in MultiCS conditioning observed in individuals with elevated trait anxiety are consistent with theories of enhanced conditionability in anxiety vulnerability. Furthermore, they point towards increased threat monitoring and detection in highly trait-anxious females, possibly mediated by alterations in visual working memory. PMID:26113814

  9. Localization of a TNF-activated transcription site and interactions with the gamma activated site within the CAEV U3 70 base pair repeat

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The cytokines TNF' and IFN' have previously been shown to activate caprine arthritis encephalitis virus (CAEV) transcription. Increased viral titers correlate with increased lesion severity. Therefore, TNF' and IFN' may augment the caprine arthritis lesion by increasing viral titers. CAEV transcr...

  10. Detection of Ehrlichia chaffeensis in adult and nymphal stage lone star ticks (Amblyomma americanum) from Long Island, New York

    USGS Publications Warehouse

    Mixson, T.R.; Ginsberg, H.S.; Campbell, S.R.; Sumner, J.W.; Paddock, C.D.

    2004-01-01

    The lone star tick, Amblyomma americanum (L.), has increased in abundance in several regions of the northeastern United States, including areas of Long Island, NY. Adult and nymphal stage A. americanum collected from several sites on Long Island were evaluated for infection with Ehrlichia chaffeensis, the causative agent of human monocytic ehrlichiosis (HME), by using a nested polymerase chain reaction assay. Fifty-nine (12.5%) of ,17.3 adults and eight of 11.3 pools of five nymphs each (estimated minimum prevalence of infection 1.4%) contained DNA of E. chaffeensis. These data, coupled with the documented expansion of lone star tick populations in the northeastern United States, confirm that E. chaffeensis is endemic to many areas of Long Island and that HME should be considered among the differential diagnoses of the many distinct tick-borne diseases that occur in this region.

  11. A polymorphism associated with increased levels of YKL-40 and the risk of early onset of lone atrial fibrillation

    PubMed Central

    2013-01-01

    Background Plasma levels of YKL-40 are elevated in patients with atrial fibrillation (AF). We hypothesized that a single nucleotide polymorphism (SNP) that affects YKL-40 plasma levels is associated to the risk of lone AF. Findings We included 178 young patients with lone AF and the first episode before the age of 40 years, and a control group of 875 healthy individuals. We analyzed a promoter SNP (−131CG) (rs4950928) in the Chitinase 3–like 1 (CHI3L1) gene encoding YKL-40, which had previously been associated with elevated levels of YKL-40. Conclusions The (−131CG) genotype was not associated with increased risk of AF. Genetically increased YKL-40 levels were not associated to AF. PMID:23279705

  12. Pick a Pair. Being Bony

    ERIC Educational Resources Information Center

    Miller, Pat

    2004-01-01

    This column suggests pairings of fiction and nonfiction books to meet curricular needs and help students to compare/contrast the texts as they may be asked on state tests. The author of this paper focuses on activities surrounding Halloween. Since many schools are discouraged from teaching about Halloween, this can be a great time to investigate…

  13. Reconciliation of work and care among lone mothers of adults with intellectual disabilities: the role and limits of care capital.

    PubMed

    Chou, Yueh-Ching; Kröger, Teppo

    2014-07-01

    In this study, the concept of social capital is applied to an exploration of Guanxi (social networking to create good relationships) among working lone mothers of adults with intellectual disabilities (ID) in Taiwan. Using in-depth interviews, this study explores the role of social capital, here referred to as 'care capital', in making it possible for working lone mothers to combine their roles as family carers and workers. Eleven divorced or widowed mothers combining their paid work with long-term care responsibilities were recruited from a survey or through NGOs and were interviewed at their home between October 2008 and July 2010. An interpretative phenomenological approach was adopted for data analysis. The findings revealed that the mothers' care capital was extremely limited and was lost, gained and lost again during their life-cycles of long-term care-giving. Guanxi, especially in relation to their employers, proved to be the sole source of care capital for these mothers, making reconciliation between work and care responsibilities possible. In the absence of formal or informal support, religion and the mother-child relationship seemed also to become a kind of care capital for these lone mothers, helping them to get by with their life-long care responsibilities. For formal social and healthcare services, not just in Taiwan but in every country, it is important to develop support for lone mothers of adults with ID who have long-term care responsibilities and low levels of care capital and thus face care poverty. PMID:24612307

  14. A lone desert Joshua tree greeted the arrival of Space Shuttle Endeavour at Edwards Air Force Base,

    NASA Technical Reports Server (NTRS)

    2001-01-01

    A lone desert Joshua tree greeted the arrival of Space Shuttle Endeavour at Edwards Air Force Base, California, May 1, 2001. A large drag chute helped slow Endeavour on the runway. After mounting the shuttle on a converted 747 airliner at NASA's Dryden Flight Research Center, Endeavour will be carried back to the Kennedy Space Center for its next mission. Weather in Florida necessitated landing in California.

  15. A Semiphysiologically Based Pharmacokinetic Modeling Approach to Predict the Dose-Exposure Relationship of an Antiparasitic Prodrug/Active Metabolite Pair

    PubMed Central

    Yan, Grace Zhixia; Generaux, Claudia N.; Yoon, Miyoung; Goldsmith, Rachel B.; Tidwell, Richard R.; Hall, James E.; Olson, Carol A.; Clewell, Harvey J.; Brouwer, Kim L. R.

    2012-01-01

    Dose selection during antiparasitic drug development in animal models and humans traditionally has relied on correlations between plasma concentrations obtained at or below maximally tolerated doses that are efficacious. The objective of this study was to improve the understanding of the relationship between dose and plasma/tissue exposure of the model antiparasitic agent, pafuramidine, using a semiphysiologically based pharmacokinetic (semi-PBPK) modeling approach. Preclinical and clinical data generated during the development of pafuramidine, a prodrug of the active metabolite, furamidine, were used. A whole-body semi-PBPK model for rats was developed based on a whole-liver PBPK model using rat isolated perfused liver data. A whole-body semi-PBPK model for humans was developed on the basis of the whole-body rat model. Scaling factors were calculated using metabolic and transport clearance data generated from rat and human sandwich-cultured hepatocytes. Both whole-body models described pafuramidine and furamidine disposition in plasma and predicted furamidine tissue (liver and kidney) exposure and excretion profiles (biliary and renal). The whole-body models predicted that the intestine contributes significantly (30–40%) to presystemic furamidine formation in both rats and humans. The predicted terminal elimination half-life of furamidine in plasma was 3- to 4-fold longer than that of pafuramidine in rats (170 versus 47 h) and humans (64 versus 19 h). The dose-plasma/tissue exposure relationship for the prodrug/active metabolite pair was determined using the whole-body models. The human model proposed a dose regimen of pafuramidine (40 mg once daily) based on a predefined efficacy-safety index. A similar approach could be used to guide dose-ranging studies in humans for next-in-class compounds. PMID:21953913

  16. Pairing forces in nuclei

    SciTech Connect

    Chasman, R.R.

    1996-12-31

    In this contribution, the author mentions some features of pairing forces that are unique to nuclei and cover some areas of major interest in nuclear structure research, that involve pairing. At the level of most nuclear structure studies, nuclei are treated as consisting of two kinds of fermions (protons and neutrons) in a valence space with rather few levels. These features give rise to unique aspects of pairing forces in nuclei: (1) n-p pairing in T = 0 as well as the usual T = 1 pairing that is characteristic of like fermions; (2) a need to correct pairing calculations for the (1/N) effects that can typically be neglected in superconducting solids. An issue of current concern is the nature of the pairing interaction: several recent studies suggest a need for a density dependent form of the pairing interaction. There is a good deal of feedback between the questions of accurate calculations of pairing interactions and the form and magnitude of the pairing interaction. Finally, the authors discuss some many-body wave functions that are a generalization of the BCS wave function form, and apply them to a calculation of energy level spacings in superdeformed rotational bands.

  17. Henry James's "The Ambassadors": the promise to lonely adolescents that there will be a future.

    PubMed

    Young, Barbara

    2009-01-01

    Adolescence is a lonely time for all of us, as we shift our emotional attachment from our parents to our own autonomous selves and to those people outside our families who will be essential to our emotional growth. Perhaps because Henry James's novel The Ambassadors (1903) deals so masterfully with this subject, it promised the author that there would be a future beyond her senior year in college. The novel has two protagonists: a young American who has arrived at his maturity in Paris, and a middle-aged man who lives in a gray, ungratifying world because he has missed the opportunity to complete his unfolding into an independent sexual being. For background material, James called upon two periods from his own life: his unhappy adolescence, which he overcame by making a life for himself as a writer in England, and his continuing emotional growth at the time he wrote the novel, at the age of 56. The author deals with both adolescence itself and with the ways in which we use the coping skills and creative strengths we developed in adolescence to enrich our lives and sustain ourselves at times of crisis. PMID:19684376

  18. Eruptions at Lone Star geyser, Yellowstone National Park, USA: 2. Constraints on subsurface dynamics

    NASA Astrophysics Data System (ADS)

    Vandemeulebrouck, Jean; Sohn, Robert A.; Rudolph, Maxwell L.; Hurwitz, Shaul; Manga, Michael; Johnston, Malcolm J. S.; Soule, S. Adam; McPhee, Darcy; Glen, Jonathan M. G.; Karlstrom, Leif; Murphy, Fred

    2014-12-01

    We use seismic, tilt, lidar, thermal, and gravity data from 32 consecutive eruption cycles of Lone Star geyser in Yellowstone National Park to identify key subsurface processes throughout the geyser's eruption cycle. Previously, we described measurements and analyses associated with the geyser's erupting jet dynamics. Here we show that seismicity is dominated by hydrothermal tremor (~5-40 Hz) attributed to the nucleation and/or collapse of vapor bubbles. Water discharge during eruption preplay triggers high-amplitude tremor pulses from a back azimuth aligned with the geyser cone, but during the rest of the eruption cycle it is shifted to the east-northeast. Moreover, ~4 min period ground surface displacements recur every 26 ± 8 min and are uncorrelated with the eruption cycle. Based on these observations, we conclude that (1) the dynamical behavior of the geyser is controlled by the thermo-mechanical coupling between the geyser conduit and a laterally offset reservoir periodically filled with a highly compressible two-phase mixture, (2) liquid and steam slugs periodically ascend into the shallow crust near the geyser system inducing detectable deformation, (3) eruptions occur when the pressure decrease associated with overflow from geyser conduit during preplay triggers an unstable feedback between vapor generation (cavitation) and mass discharge, and (4) flow choking at a constriction in the conduit arrests the runaway process and increases the saturated vapor pressure in the reservoir by a factor of ~10 during eruptions.

  19. Eruptions at Lone Star geyser, Yellowstone National Park, USA: 2. Constraints on subsurface dynamics

    USGS Publications Warehouse

    Vandemeulebrouck, Jean; Sohn, Robert A.; Rudolph, Maxwell L.; Hurwitz, Shaul; Manga, Michael; Johnston, Malcolm J.S.; Soule, S. Adam; McPhee, Darcy K.; Glen, Jonathan M.G.; Karlstrom, Leif; Murphy, Fred

    2014-01-01

    We use seismic, tilt, lidar, thermal, and gravity data from 32 consecutive eruption cycles of Lone Star geyser in Yellowstone National Park to identify key subsurface processes throughout the geyser's eruption cycle. Previously, we described measurements and analyses associated with the geyser's erupting jet dynamics. Here we show that seismicity is dominated by hydrothermal tremor (~5–40 Hz) attributed to the nucleation and/or collapse of vapor bubbles. Water discharge during eruption preplay triggers high-amplitude tremor pulses from a back azimuth aligned with the geyser cone, but during the rest of the eruption cycle it is shifted to the east-northeast. Moreover, ~4 min period ground surface displacements recur every 26 ± 8 min and are uncorrelated with the eruption cycle. Based on these observations, we conclude that (1) the dynamical behavior of the geyser is controlled by the thermo-mechanical coupling between the geyser conduit and a laterally offset reservoir periodically filled with a highly compressible two-phase mixture, (2) liquid and steam slugs periodically ascend into the shallow crust near the geyser system inducing detectable deformation, (3) eruptions occur when the pressure decrease associated with overflow from geyser conduit during preplay triggers an unstable feedback between vapor generation (cavitation) and mass discharge, and (4) flow choking at a constriction in the conduit arrests the runaway process and increases the saturated vapor pressure in the reservoir by a factor of ~10 during eruptions.

  20. The Lone Ranger Mission: Understanding Synthetic Polymer Microbe Interactions In the Atlantic Ocean

    NASA Astrophysics Data System (ADS)

    Mielke, R.; Neal, A.; Stam, C. N.; Ferry, J. G.; Schlegel, R.; Tsapin, A. I.; Park, S.; Bhartia, R.; Salas, E.; Hug, W.; Behar, A. E.; Nadeau, J.

    2011-12-01

    Pollution is one of the most ubiquitous and insidious problems currently facing the oceans. As synthetic polymer debris degrades, it becomes increasingly accessible to organisms that forage or absorb food particles. However, research on this significant environmental pollution problem has not been able to keep up with the scope of the issue, since some of the first studies published in 1972 by Edward Carpenter. In January 2011, The Lone Ranger Atlantic Expedition, a collaboration between Blue Ocean Sciences (BOS) and the Schmidt Ocean Institute (SOI) transected the Atlantic Ocean covering 3,100 nautical miles sampling the first 15cm of the water column to investigate microbial interactions with synthetic polymer marine debris. Using established and novel techniques of Fourier transform infrared spectroscopy (FT-IR), scanning transmission electron microscopy (STEM), environmental scanning electron microscopy (ESEM), and gas chromatography-mass spectrometry (GC-MS), we were able to image and locate material degradation of pre-production, association of microbial biofilms, and accumulation of persistent organic pollutants (POP's) on environmental microplastics. We then used Spectroscopic Organic Analysis and ArcGIS mapping systems to observe the material degradation and the associated biofilm lattice on the environmental microplastics. This data sheds light on possible mechanisms of material weathering of synthetic polymers in deep ocean environments and new methods for identifying POP's association with them. These new techniques are highly transferable to many studies on material biofilm interactions in the environment.

  1. Comprehensive mutation scanning of KCNQ1 in 111 Han Chinese patients with lone atrial fibrillation

    PubMed Central

    Chen, Lin Y; Goh, June M; Wong, Raymond C; Hsu, Li-Fern; Foo, David; Benditt, David G; Ling, Lieng H; Heng, Chew K

    2010-01-01

    Objective To determine the extent to which genetic variation in the potassium channel gene KCNQ1 causes atrial fibrillation (AF). Design Case–control study. Setting National University Hospital, Singapore. Patients Han Chinese patients (n=111) with lone AF (onset <60 years and lacking risk factors) and 265 Han Chinese controls. Interventions Blood draw, 12-lead electrocardiogram and transthoracic echocardiogram were performed on patients with AF at enrolment. Main outcome measures DNA sequence variants in the coding region and exon–intron boundaries of KCNQ1 as detected by direct sequencing. Results Four previously reported coding variants were identified: I145I, S546S, P448R and G643S. An additional 19 non-coding variants were identified, nine of which are newly reported. None were predicted to create a cryptic splicing site. The allele frequencies of the two non-synonymous variants did not differ significantly in the AF cases compared with 265 Han Chinese controls (P448R: 10.8% in cases vs 8.6% in controls, p=0.41; G643S: 1.4% in cases vs 0.8% in controls, p=0.43). Conclusions Comprehensive mutation scanning of KCNQ1 did not identify novel pathogenic mutations or risk-conferring polymorphisms. As in Caucasians, genetic variation in KCNQ1 is not a common cause of AF in Han Chinese. Routine genetic testing of KCNQ1 for AF is, therefore, not warranted. PMID:27325960

  2. Matched-pair classification

    SciTech Connect

    Theiler, James P

    2009-01-01

    Following an analogous distinction in statistical hypothesis testing, we investigate variants of machine learning where the training set comes in matched pairs. We demonstrate that even conventional classifiers can exhibit improved performance when the input data has a matched-pair structure. Online algorithms, in particular, converge quicker when the data is presented in pairs. In some scenarios (such as the weak signal detection problem), matched pairs can be generated from independent samples, with the effect not only doubling the nominal size of the training set, but of providing the structure that leads to better learning. A family of 'dipole' algorithms is introduced that explicitly takes advantage of matched-pair structure in the input data and leads to further performance gains. Finally, we illustrate the application of matched-pair learning to chemical plume detection in hyperspectral imagery.

  3. Vortex pairs on surfaces

    SciTech Connect

    Koiller, Jair

    2009-05-06

    A pair of infinitesimally close opposite vortices moving on a curved surface moves along a geodesic, according to a conjecture by Kimura. We outline a proof. Numerical simulations are presented for a pair of opposite vortices at a close but nonzero distance on a surface of revolution, the catenoid. We conjecture that the vortex pair system on a triaxial ellipsoid is a KAM perturbation of Jacobi's geodesic problem. We outline some preliminary calculations required for this study. Finding the surfaces for which the vortex pair system is integrable is in order.

  4. Critical Schwinger Pair Production

    NASA Astrophysics Data System (ADS)

    Gies, Holger; Torgrimsson, Greger

    2016-03-01

    We investigate Schwinger pair production in spatially inhomogeneous electric backgrounds. A critical point for the onset of pair production can be approached by fields that marginally provide sufficient electrostatic energy for an off-shell long-range electron-positron fluctuation to become a real pair. Close to this critical point, we observe features of universality which are analogous to continuous phase transitions in critical phenomena with the pair-production rate serving as an order parameter: electric backgrounds can be subdivided into universality classes and the onset of pair production exhibits characteristic scaling laws. An appropriate design of the electric background field can interpolate between power-law scaling, essential Berezinskii-Kosterlitz-Thouless-type scaling, and a power-law scaling with log corrections. The corresponding critical exponents only depend on the large-scale features of the electric background, whereas the microscopic details of the background play the role of irrelevant perturbations not affecting criticality.

  5. Critical Schwinger Pair Production.

    PubMed

    Gies, Holger; Torgrimsson, Greger

    2016-03-01

    We investigate Schwinger pair production in spatially inhomogeneous electric backgrounds. A critical point for the onset of pair production can be approached by fields that marginally provide sufficient electrostatic energy for an off-shell long-range electron-positron fluctuation to become a real pair. Close to this critical point, we observe features of universality which are analogous to continuous phase transitions in critical phenomena with the pair-production rate serving as an order parameter: electric backgrounds can be subdivided into universality classes and the onset of pair production exhibits characteristic scaling laws. An appropriate design of the electric background field can interpolate between power-law scaling, essential Berezinskii-Kosterlitz-Thouless-type scaling, and a power-law scaling with log corrections. The corresponding critical exponents only depend on the large-scale features of the electric background, whereas the microscopic details of the background play the role of irrelevant perturbations not affecting criticality. PMID:26991162

  6. Cooper Pairs in Insulators?!

    ScienceCinema

    James Valles

    2010-01-08

    Nearly 50 years elapsed between the discovery of superconductivity and the emergence of the microscopic theory describing this zero resistance state. The explanation required a novel phase of matter in which conduction electrons joined in weakly bound pairs and condensed with other pairs into a single quantum state. Surprisingly, this Cooper pair formation has also been invoked to account for recently uncovered high-resistance or insulating phases of matter. To address this possibility, we have used nanotechnology to create an insulating system that we can probe directly for Cooper pairs. I will present the evidence that Cooper pairs exist and dominate the electrical transport in these insulators and I will discuss how these findings provide new insight into superconductor to insulator quantum phase transitions. 

  7. Pair contact process with diffusion of pairs

    NASA Astrophysics Data System (ADS)

    Santos, F. L.; Dickman, Ronald; Fulco, U. L.

    2011-03-01

    The pair contact process (PCP) is a nonequilibrium stochastic model which, like the basic contact process (CP), exhibits a phase transition to an absorbing state. The two models belong to the directed percolation (DP) universality class, despite the fact that the PCP possesses infinitely many absorbing configurations whereas the CP has but one. The critical behavior of the PCP with hopping by particles (PCPD) is as yet unclear. Here we study a version of the PCP in which nearest-neighbor particle pairs can hop but individual particles cannot. Using quasistationary simulations for three values of the diffusion probability (D = 0.1, 0.5 and 0.9), we find convincing evidence of DP-like critical behavior.

  8. Report on Pairing-based Cryptography

    PubMed Central

    Moody, Dustin; Peralta, Rene; Perlner, Ray; Regenscheid, Andrew; Roginsky, Allen; Chen, Lily

    2015-01-01

    This report summarizes study results on pairing-based cryptography. The main purpose of the study is to form NIST’s position on standardizing and recommending pairing-based cryptography schemes currently published in research literature and standardized in other standard bodies. The report reviews the mathematical background of pairings. This includes topics such as pairing-friendly elliptic curves and how to compute various pairings. It includes a brief introduction to existing identity-based encryption (IBE) schemes and other cryptographic schemes using pairing technology. The report provides a complete study of the current status of standard activities on pairing-based cryptographic schemes. It explores different application scenarios for pairing-based cryptography schemes. As an important aspect of adopting pairing-based schemes, the report also considers the challenges inherent in validation testing of cryptographic algorithms and modules. Based on the study, the report suggests an approach for including pairing-based cryptography schemes in the NIST cryptographic toolkit. The report also outlines several questions that will require further study if this approach is followed. PMID:26958435

  9. Report on Pairing-based Cryptography.

    PubMed

    Moody, Dustin; Peralta, Rene; Perlner, Ray; Regenscheid, Andrew; Roginsky, Allen; Chen, Lily

    2015-01-01

    This report summarizes study results on pairing-based cryptography. The main purpose of the study is to form NIST's position on standardizing and recommending pairing-based cryptography schemes currently published in research literature and standardized in other standard bodies. The report reviews the mathematical background of pairings. This includes topics such as pairing-friendly elliptic curves and how to compute various pairings. It includes a brief introduction to existing identity-based encryption (IBE) schemes and other cryptographic schemes using pairing technology. The report provides a complete study of the current status of standard activities on pairing-based cryptographic schemes. It explores different application scenarios for pairing-based cryptography schemes. As an important aspect of adopting pairing-based schemes, the report also considers the challenges inherent in validation testing of cryptographic algorithms and modules. Based on the study, the report suggests an approach for including pairing-based cryptography schemes in the NIST cryptographic toolkit. The report also outlines several questions that will require further study if this approach is followed. PMID:26958435

  10. Characterization of Lone Pine, California, tremolite asbestos and preparation of research material.

    PubMed

    Harper, Martin; Van Gosen, Bradley; Crankshaw, Owen S; Doorn, Stacy S; Ennis, Todd J; Harrison, Sara E

    2015-01-01

    Well-characterized amphibole asbestos mineral samples are required for use as analytical standards and in future research projects. Currently, the National Institute for Standards and Technology Standard Reference Material samples of asbestos are listed as 'Discontinued'. The National Institute for Occupational Safety and Health (NIOSH) has a goal under the Asbestos Roadmap of locating and characterizing research materials for future use. Where an initial characterization analysis determines that a collected material is appropriate for use as a research material in terms of composition and asbestiform habit, sufficient amounts of the material will be collected to make it publicly available. An abandoned mine near Lone Pine, California, contains a vein of tremolite asbestos, which was the probable source of a reference material that has been available for the past 17 years from the Health and Safety Laboratory (HSL) in the UK. Newly collected fibrous vein material from this mine was analyzed at Research Triangle Institute (RTI International) with some additional analysis by the US Geological Survey's Denver Microbeam Laboratory. The analysis at RTI International included: (i) polarized light microscopy (PLM) with a determination of principal optical properties; (ii) X-ray diffraction; (iii) transmission electron microscopy, including energy dispersive X-ray spectroscopy and selected-area electron diffraction; and (iv) spindle stage analysis using PLM to determine whether individual fibers and bundles of the samples were polycrystalline or single-crystal cleavage fragments. The overall findings of the study indicated that the material is tremolite asbestos with characteristics substantially similar to the earlier distributed HSL reference material. A larger quantity of material was prepared by sorting, acid-washing and mixing for sub-division into vials of ~10g each. These vials have been transferred from NIOSH to RTI International, from where they can be obtained on

  11. Characterization of the Bacterial Communities of Life Stages of Free Living Lone Star Ticks (Amblyomma americanum)

    PubMed Central

    Williams-Newkirk, Amanda Jo; Rowe, Lori A.; Mixson-Hayden, Tonya R.; Dasch, Gregory A.

    2014-01-01

    The lone star tick (Amblyomma americanum) is an abundant and aggressive biter of humans, domestic animals, and wildlife in the southeastern-central USA and an important vector of several known and suspected zoonotic bacterial pathogens. However, the biological drivers of bacterial community variation in this tick are still poorly defined. Knowing the community context in which tick-borne bacterial pathogens exist and evolve is required to fully understand the ecology and immunobiology of the ticks and to design effective public health and veterinary interventions. We performed a metagenomic survey of the bacterial communities of questing A. americanum and tested 131 individuals (66 nymphs, 24 males, and 41 females) from five sites in three states. Pyrosequencing was performed with barcoded eubacterial primers targeting variable 16S rRNA gene regions 5–3. The bacterial communities were dominated by Rickettsia (likely R. amblyommii) and an obligate Coxiella symbiont, together accounting for 6.7–100% of sequences per tick. DNAs from Midichloria, Borrelia, Wolbachia, Ehrlichia, Pseudomonas, or unidentified Bacillales, Enterobacteriaceae, or Rhizobiales groups were also detected frequently. Wolbachia and Midichloria significantly co-occurred in Georgia (p<0.00001), but not in other states. The significance of the Midichloria-Wolbachia co-occurrence is unknown. Among ticks collected in Georgia, nymphs differed from adults in both the composition (p = 0.002) and structure (p = 0.002) of their bacterial communities. Adults differed only in their community structure (p = 0.002) with males containing more Rickettsia and females containing more Coxiella. Comparisons among adult ticks collected in New York and North Carolina supported the findings from the Georgia collection despite differences in geography, collection date, and sample handling, implying that the differences detected are consistent attributes. The data also suggest that some members of the

  12. Kepler-424 b: A "Lonely" Hot Jupiter that Found a Companion

    NASA Astrophysics Data System (ADS)

    Endl, Michael; Caldwell, Douglas A.; Barclay, Thomas; Huber, Daniel; Isaacson, Howard; Buchhave, Lars A.; Brugamyer, Erik; Robertson, Paul; Cochran, William D.; MacQueen, Phillip J.; Havel, Mathieu; Lucas, Phillip; Howell, Steve B.; Fischer, Debra; Quintana, Elisa; Ciardi, David R.

    2014-11-01

    Hot Jupiter systems provide unique observational constraints for migration models in multiple systems and binaries. We report on the discovery of the Kepler-424 (KOI-214) two-planet system, which consists of a transiting hot Jupiter (Kepler-424b) in a 3.31 day orbit accompanied by a more massive outer companion in an eccentric (e = 0.3) 223 day orbit. The outer giant planet, Kepler-424c, is not detected transiting the host star. The masses of both planets and the orbital parameters for the second planet were determined using precise radial velocity (RV) measurements from the Hobby-Eberly Telescope (HET) and its High Resolution Spectrograph (HRS). In stark contrast to smaller planets, hot Jupiters are predominantly found to be lacking any nearby additional planets; they appear to be "lonely". This might be a consequence of these systems having a highly dynamical past. The Kepler-424 planetary system has a hot Jupiter in a multiple system, similar to \\upsilon Andromedae. We also present our results for Kepler-422 (KOI-22), Kepler-77 (KOI-127), Kepler-43 (KOI-135), and Kepler-423 (KOI-183). These results are based on spectroscopic data collected with the Nordic Optical Telescope (NOT), the Keck 1 telescope, and HET. For all systems, we rule out false positives based on various follow-up observations, confirming the planetary nature of these companions. We performed a comparison with planetary evolutionary models which indicate that these five hot Jupiters have heavy element contents between 20 and 120 M ⊕. Based on observations obtained with the Hobby-Eberly Telescope, which is a joint project of the University of Texas at Austin, the Pennsylvania State University, Stanford University, Ludwig-Maximilians-Universität München, and Georg-August-Universität Göttingen.

  13. Characterization of Lone Pine, California, Tremolite Asbestos and Preparation of Research Material

    PubMed Central

    Harper, Martin; Van Gosen, Bradley; Crankshaw, Owen S.; Doorn, Stacy S.; Ennis, Todd J.; Harrison, Sara E.

    2016-01-01

    Well-characterized amphibole asbestos mineral samples are required for use as analytical standards and in future research projects. Currently, the National Institute for Standards and Technology Standard Reference Material samples of asbestos are listed as ‘Discontinued’. The National Institute for Occupational Safety and Health (NIOSH) has a goal under the Asbestos Roadmap of locating and characterizing research materials for future use. Where an initial characterization analysis determines that a collected material is appropriate for use as a research material in terms of composition and asbestiform habit, sufficient amounts of the material will be collected to make it publicly available. An abandoned mine near Lone Pine, California, contains a vein of tremolite asbestos, which was the probable source of a reference material that has been available for the past 17 years from the Health and Safety Laboratory (HSL) in the UK. Newly collected fibrous vein material from this mine was analyzed at Research Triangle Institute (RTI International) with some additional analysis by the US Geological Survey’s Denver Microbeam Laboratory. The analysis at RTI International included: (i) polarized light microscopy (PLM) with a determination of principal optical properties; (ii) X-ray diffraction; (iii) transmission electron microscopy, including energy dispersive X-ray spectroscopy and selected-area electron diffraction; and (iv) spindle stage analysis using PLM to determine whether individual fibers and bundles of the samples were polycrystalline or single-crystal cleavage fragments. The overall findings of the study indicated that the material is tremolite asbestos with characteristics substantially similar to the earlier distributed HSL reference material. A larger quantity of material was prepared by sorting, acid-washing and mixing for sub-division into vials of ~10 g each. These vials have been transferred from NIOSH to RTI International, from where they can be

  14. Broadband Seismic Observations of Lone Star Geyser, Yellowstone National Park, Wyoming, USA

    NASA Astrophysics Data System (ADS)

    Nayak, A.; Hurwitz, S.; Johnson, H. E., III; Manga, M.; Gomez, F. G.

    2014-12-01

    Geysers are natural phenomena that episodically erupt water and steam. Geophysical observations at geysers are analyzed to shed light on subsurface multi-phase mass and heat exchange processes and geometries controlling geyser eruptions, which are still are not completely understood. Lone Star Geyser (LSG) in Yellowstone National Park, Wyoming, USA erupts every ~3 hours, with brief episodes (~5-10 min) of water and steam fountaining (preplays) leading up to the main eruption (~28 min), and the discharge evolves from a water-dominated phase to a steam-dominated phase as the main eruption proceeds in time. We describe observations from multiple seismometers deployed around LSG as part of a comprehensive geophysical survey conducted in April 2014. 3-component seismograms were continuously recorded at 250 samples per second by 6 Nanometrics Trillium 120 P/PA broadband seismometers (lower corner frequency at 120 seconds) and Taurus dataloggers at distances ~10 to 25 m from the geyser cone for a period of 3 days. We identify distinct episodes of hydrothermal tremor associated with preplay events and main eruptions. We find that the dominant tremor frequencies during main eruptions are consistently higher (> 10.0 Hz) than those during preplays (> 1.0 Hz) indicating slightly different source locations or processes controlling the two phenomena. Unlike seismic observations at the Old Faithful Geyser, we also observe subtle harmonic tremor and spectral gliding in the frequency range ~1.0-8.0 Hz towards the end of both main eruption and preplay tremor episodes. We interpret long-period pulses on horizontal components of the seismometers located close to the geyser and synchronous with preplays, as pseudo-tilts resulting from deformation of the sinter terrace. We also compare the evolution of hydrothermal tremor in time with synchronous changes in temperature, acoustic emission and discharge for interpretation of the possible tremor source processes.

  15. Eruptions at Lone Star Geyser, Yellowstone National Park, USA, part 1: energetics and eruption dynamics

    USGS Publications Warehouse

    Karlstrom, Leif; Hurwitz, Shaul; Sohn, Robert; Vandemeulebrouck, Jean; Murphy, Fred; Rudolph, Maxwell L.; Johnston, Malcolm J.S.; Manga, Michael; McCleskey, R. Blaine

    2013-01-01

    Geysers provide a natural laboratory to study multiphase eruptive processes. We present results from a four–day experiment at Lone Star Geyser in Yellowstone National Park, USA. We simultaneously measured water discharge, acoustic emissions, infraredintensity, and visible and infrared video to quantify the energetics and dynamics of eruptions, occurring approximately every three hours. We define four phases in the eruption cycle: 1) a 28 ± 3 minute phase with liquid and steam fountaining, with maximum jet velocities of 16–28 m s− 1, steam mass fraction of less than ∼ 0.01. Intermittently choked flow and flow oscillations with periods increasing from 20 to 40 s are coincident with a decrease in jet velocity and an increase of steam fraction; 2) a 26 ± 8 minute post–eruption relaxation phase with no discharge from the vent, infrared (IR) and acoustic power oscillations gliding between 30 and 40 s; 3) a 59 ± 13 minute recharge period during which the geyser is quiescent and progressively refills, and 4) a 69 ± 14 minute pre–play period characterized by a series of 5–10 minute–long pulses of steam, small volumes of liquid water discharge and 50–70 s flow oscillations. The erupted waters ascend froma 160 − 170° C reservoir and the volume discharged during the entire eruptive cycle is 20.8 ± 4.1 m3. Assuming isentropic expansion, we calculate a heat output from the geyser of 1.4–1.5 MW, which is < 0.1% of the total heat output from Yellowstone Caldera.

  16. Characterization of the bacterial communities of life stages of free living lone star ticks (Amblyomma americanum).

    PubMed

    Williams-Newkirk, Amanda Jo; Rowe, Lori A; Mixson-Hayden, Tonya R; Dasch, Gregory A

    2014-01-01

    The lone star tick (Amblyomma americanum) is an abundant and aggressive biter of humans, domestic animals, and wildlife in the southeastern-central USA and an important vector of several known and suspected zoonotic bacterial pathogens. However, the biological drivers of bacterial community variation in this tick are still poorly defined. Knowing the community context in which tick-borne bacterial pathogens exist and evolve is required to fully understand the ecology and immunobiology of the ticks and to design effective public health and veterinary interventions. We performed a metagenomic survey of the bacterial communities of questing A. americanum and tested 131 individuals (66 nymphs, 24 males, and 41 females) from five sites in three states. Pyrosequencing was performed with barcoded eubacterial primers targeting variable 16S rRNA gene regions 5-3. The bacterial communities were dominated by Rickettsia (likely R. amblyommii) and an obligate Coxiella symbiont, together accounting for 6.7-100% of sequences per tick. DNAs from Midichloria, Borrelia, Wolbachia, Ehrlichia, Pseudomonas, or unidentified Bacillales, Enterobacteriaceae, or Rhizobiales groups were also detected frequently. Wolbachia and Midichloria significantly co-occurred in Georgia (p<0.00001), but not in other states. The significance of the Midichloria-Wolbachia co-occurrence is unknown. Among ticks collected in Georgia, nymphs differed from adults in both the composition (p = 0.002) and structure (p = 0.002) of their bacterial communities. Adults differed only in their community structure (p = 0.002) with males containing more Rickettsia and females containing more Coxiella. Comparisons among adult ticks collected in New York and North Carolina supported the findings from the Georgia collection despite differences in geography, collection date, and sample handling, implying that the differences detected are consistent attributes. The data also suggest that some members of the

  17. Characterization of Lone Pine, California, tremolite asbestos and preparation of research material

    USGS Publications Warehouse

    Harper, Martin; Van Gosen, Bradley S.; Crankshaw, Owen S; Doorn, Stacy S; Ennis, J. Todd; Harrison, Sara E

    2014-01-01

    Well-characterized amphibole asbestos mineral samples are required for use as analytical standards and in future research projects. Currently, the National Institute for Standards and Technology Standard Reference Material samples of asbestos are listed as ‘Discontinued’. The National Institute for Occupational Safety and Health (NIOSH) has a goal under the Asbestos Roadmap of locating and characterizing research materials for future use. Where an initial characterization analysis determines that a collected material is appropriate for use as a research material in terms of composition and asbestiform habit, sufficient amounts of the material will be collected to make it publicly available. An abandoned mine near Lone Pine, California, contains a vein of tremolite asbestos, which was the probable source of a reference material that has been available for the past 17 years from the Health and Safety Laboratory (HSL) in the UK. Newly collected fibrous vein material from this mine was analyzed at Research Triangle Institute (RTI International) with some additional analysis by the US Geological Survey’s Denver Microbeam Laboratory. The analysis at RTI International included: (i) polarized light microscopy (PLM) with a determination of principal optical properties; (ii) X-ray diffraction; (iii) transmission electron microscopy, including energy dispersive X-ray spectroscopy and selected-area electron diffraction; and (iv) spindle stage analysis using PLM to determine whether individual fibers and bundles of the samples were polycrystalline or single-crystal cleavage fragments. The overall findings of the study indicated that the material is tremolite asbestos with characteristics substantially similar to the earlier distributed HSL reference material. A larger quantity of material was prepared by sorting, acid-washing and mixing for sub-division into vials of ~10g each. These vials have been transferred from NIOSH to RTI International, from where they can be

  18. A Coxiella-Like Endosymbiont Is a Potential Vitamin Source for the Lone Star Tick

    PubMed Central

    Smith, Todd A; Driscoll, Timothy; Gillespie, Joseph J; Raghavan, Rahul

    2015-01-01

    Amblyomma americanum (Lone star tick) is an important disease vector in the United States. It transmits several human pathogens, including the agents of human monocytic ehrlichiosis, tularemia, and southern tick-associated rash illness. Blood-feeding insects (Class Insecta) depend on bacterial endosymbionts to provide vitamins and cofactors that are scarce in blood. It is unclear how this deficiency is compensated in ticks (Class Arachnida) that feed exclusively on mammalian blood. A bacterium related to Coxiella burnetii, the agent of human Q fever, has been observed previously within cells of A. americanum. Eliminating this bacterium (CLEAA, Coxiella-like endosymbiont of A. americanum) with antibiotics reduced tick fecundity, indicating that it is an essential endosymbiont. In an effort to determine its role within this symbiosis, we sequenced the CLEAA genome. While highly reduced (656,901 bp) compared with C. burnetii (1,995,281 bp), the CLEAA genome encodes most major vitamin and cofactor biosynthesis pathways, implicating CLEAA as a vitamin provisioning endosymbiont. In contrast, CLEAA lacks any recognizable virulence genes, indicating that it is not a pathogen despite its presence in tick salivary glands. As both C. burnetii and numerous “Coxiella-like bacteria” have been reported from several species of ticks, we determined the evolutionary relationship between the two bacteria. Phylogeny estimation revealed that CLEAA is a close relative of C. burnetii, but was not derived from it. Our results are important for strategies geared toward controlling A. americanum and the pathogens it vectors, and also contribute novel information regarding the metabolic interdependencies of ticks and their nutrient-provisioning endosymbionts. PMID:25618142

  19. Electron pairing without superconductivity.

    PubMed

    Cheng, Guanglei; Tomczyk, Michelle; Lu, Shicheng; Veazey, Joshua P; Huang, Mengchen; Irvin, Patrick; Ryu, Sangwoo; Lee, Hyungwoo; Eom, Chang-Beom; Hellberg, C Stephen; Levy, Jeremy

    2015-05-14

    Strontium titanate (SrTiO3) is the first and best known superconducting semiconductor. It exhibits an extremely low carrier density threshold for superconductivity, and possesses a phase diagram similar to that of high-temperature superconductors--two factors that suggest an unconventional pairing mechanism. Despite sustained interest for 50 years, direct experimental insight into the nature of electron pairing in SrTiO3 has remained elusive. Here we perform transport experiments with nanowire-based single-electron transistors at the interface between SrTiO3 and a thin layer of lanthanum aluminate, LaAlO3. Electrostatic gating reveals a series of two-electron conductance resonances-paired electron states--that bifurcate above a critical pairing field Bp of about 1-4 tesla, an order of magnitude larger than the superconducting critical magnetic field. For magnetic fields below Bp, these resonances are insensitive to the applied magnetic field; for fields in excess of Bp, the resonances exhibit a linear Zeeman-like energy splitting. Electron pairing is stable at temperatures as high as 900 millikelvin, well above the superconducting transition temperature (about 300 millikelvin). These experiments demonstrate the existence of a robust electronic phase in which electrons pair without forming a superconducting state. Key experimental signatures are captured by a model involving an attractive Hubbard interaction that describes real-space electron pairing as a precursor to superconductivity. PMID:25971511

  20. Electron pairing without superconductivity

    NASA Astrophysics Data System (ADS)

    Cheng, Guanglei; Tomczyk, Michelle; Lu, Shicheng; Veazey, Joshua P.; Huang, Mengchen; Irvin, Patrick; Ryu, Sangwoo; Lee, Hyungwoo; Eom, Chang-Beom; Hellberg, C. Stephen; Levy, Jeremy

    2015-05-01

    Strontium titanate (SrTiO3) is the first and best known superconducting semiconductor. It exhibits an extremely low carrier density threshold for superconductivity, and possesses a phase diagram similar to that of high-temperature superconductors--two factors that suggest an unconventional pairing mechanism. Despite sustained interest for 50 years, direct experimental insight into the nature of electron pairing in SrTiO3 has remained elusive. Here we perform transport experiments with nanowire-based single-electron transistors at the interface between SrTiO3 and a thin layer of lanthanum aluminate, LaAlO3. Electrostatic gating reveals a series of two-electron conductance resonances--paired electron states--that bifurcate above a critical pairing field Bp of about 1-4 tesla, an order of magnitude larger than the superconducting critical magnetic field. For magnetic fields below Bp, these resonances are insensitive to the applied magnetic field; for fields in excess of Bp, the resonances exhibit a linear Zeeman-like energy splitting. Electron pairing is stable at temperatures as high as 900 millikelvin, well above the superconducting transition temperature (about 300 millikelvin). These experiments demonstrate the existence of a robust electronic phase in which electrons pair without forming a superconducting state. Key experimental signatures are captured by a model involving an attractive Hubbard interaction that describes real-space electron pairing as a precursor to superconductivity.

  1. Electron pairing without superconductivity

    NASA Astrophysics Data System (ADS)

    Levy, Jeremy

    Strontium titanate (SrTiO3) is the first and best known superconducting semiconductor. It exhibits an extremely low carrier density threshold for superconductivity, and possesses a phase diagram similar to that of high-temperature superconductors--two factors that suggest an unconventional pairing mechanism. Despite sustained interest for 50 years, direct experimental insight into the nature of electron pairing in SrTiO3 has remained elusive. Here we perform transport experiments with nanowire-based single-electron transistors at the interface between SrTiO3 and a thin layer of lanthanum aluminate, LaAlO3. Electrostatic gating reveals a series of two-electron conductance resonances--paired electron states--that bifurcate above a critical pairing field Bp of about 1-4 tesla, an order of magnitude larger than the superconducting critical magnetic field. For magnetic fields below Bp, these resonances are insensitive to the applied magnetic field; for fields in excess of Bp, the resonances exhibit a linear Zeeman-like energy splitting. Electron pairing is stable at temperatures as high as 900 millikelvin, well above the superconducting transition temperature (about 300 millikelvin). These experiments demonstrate the existence of a robust electronic phase in which electrons pair without forming a superconducting state. Key experimental signatures are captured by a model involving an attractive Hubbard interaction that describes real-space electron pairing as a precursor to superconductivity. Support from AFOSR, ONR, ARO, NSF, DOE and NSSEFF is gratefully acknowledged.

  2. Paired Straight Hearth Furnace

    SciTech Connect

    2009-04-01

    This factsheet describes a research project whose goals are to design, develop, and evaluate the scalability and commercial feasibility of the PSH Paired Straight Hearth Furnace alternative ironmaking process.

  3. 90 Seconds of Discovery: Frustrated Lewis Pairs

    SciTech Connect

    Kathmann, Shawn; Schenter, Greg; Autrey, Tom

    2014-02-14

    Hydrogen activating catalysts play an important role in producing valuable chemicals, such as biofuels and ammonia. As a part of efforts to develop the next generation of these catalysts, PNNL researchers have found potential in Frustrated Lewis Pairs.

  4. 90 Seconds of Discovery: Frustrated Lewis Pairs

    ScienceCinema

    Kathmann, Shawn; Schenter, Greg; Autrey, Tom

    2014-07-21

    Hydrogen activating catalysts play an important role in producing valuable chemicals, such as biofuels and ammonia. As a part of efforts to develop the next generation of these catalysts, PNNL researchers have found potential in Frustrated Lewis Pairs.

  5. Structure-Activity Relationships of Constrained Phenylethylamine Ligands for the Serotonin 5-HT2 Receptors

    PubMed Central

    Isberg, Vignir; Paine, James; Leth-Petersen, Sebastian; Kristensen, Jesper L.; Gloriam, David E.

    2013-01-01

    Serotonergic ligands have proven effective drugs in the treatment of migraine, pain, obesity, and a wide range of psychiatric and neurological disorders. There is a clinical need for more highly 5-HT2 receptor subtype-selective ligands and the most attention has been given to the phenethylamine class. Conformationally constrained phenethylamine analogs have demonstrated that for optimal activity the free lone pair electrons of the 2-oxygen must be oriented syn and the 5-oxygen lone pairs anti relative to the ethylamine moiety. Also the ethyl linker has been constrained providing information about the bioactive conformation of the amine functionality. However, combined 1,2-constriction by cyclization has only been tested with one compound. Here, we present three new 1,2-cyclized phenylethylamines, 9–11, and describe their synthetic routes. Ligand docking in the 5-HT2B crystal structure showed that the 1,2-heterocyclized compounds can be accommodated in the binding site. Conformational analysis showed that 11 can only bind in a higher-energy conformation, which would explain its absent or low affinity. The amine and 2-oxygen interactions with D3.32 and S3.36, respectively, can form but shift the placement of the core scaffold. The constraints in 9–11 resulted in docking poses with the 4-bromine in closer vicinity to 5.46, which is polar only in the human 5-HT2A subtype, for which 9–11 have the lowest affinity. The new ligands, conformational analysis and docking expand the structure-activity relationships of constrained phenethylamines and contributes towards the development of 5-HT2 receptor subtype-selective ligands. PMID:24244317

  6. Reversal of the Detrimental Effects of Post-Stroke Social Isolation by Pair-Housing is Mediated by Activation of BDNF-MAPK/ERK in Aged Mice

    PubMed Central

    Verma, Rajkumar; Harris, Nia M.; Friedler, Brett D.; Crapser, Joshua; Patel, Anita R.; Venna, Venugopal; McCullough, Louise D.

    2016-01-01

    Social isolation (SI) increases stroke-related mortality and morbidity in clinical populations. The detrimental effects of SI have been successfully modeled in the laboratory using young animals. Mechanistically, the negative effects of SI in young animals are primarily mediated by an enhanced inflammatory response to injury and a reduction in neurotrophic factors. However, the response to brain injury differs considerably in the aged. Given that SI is more prevalent in aged populations, we hypothesized that isolation, even when initiated after stroke, would delay recovery in aged mice. We found that aged isolated male mice had significantly increased infarct volume, neurological deficits, and serum IL-6 levels three days after stroke compared to pair housed (PH) mice. Using RT2 Profiler PCR Array and real-time quantitative PCR we found several important synaptic plasticity genes were differentially expressed in post-stroke SI mice. Furthermore, paired mice showed improved memory and neurobehavioral recovery four weeks after injury. Mechanistic and histological studies showed that the beneficial effects of pair housing are partially mediated by BDNF via downstream MAPK/ERK signaling and restoration of axonal basic myelin protein levels. PMID:27125783

  7. The Microbiome of Ehrlichia-Infected and Uninfected Lone Star Ticks (Amblyomma americanum).

    PubMed

    Trout Fryxell, R T; DeBruyn, J M

    2016-01-01

    The Lone Star tick, Amblyomma americanum, transmits several bacterial pathogens including species of Anaplasma and Ehrlichia. Amblyomma americanum also hosts a number of non-pathogenic bacterial endosymbionts. Recent studies of other arthropod and insect vectors have documented that commensal microflora can influence transmission of vector-borne pathogens; however, little is known about tick microbiomes and their possible influence on tick-borne diseases. Our objective was to compare bacterial communities associated with A. americanum, comparing Anaplasma/Ehrlichia -infected and uninfected ticks. Field-collected questing specimens (n = 50) were used in the analyses, of which 17 were identified as Anaplasma/Ehrlichia infected based on PCR amplification and sequencing of groEL genes. Bacterial communities from each specimen were characterized using Illumina sequencing of 16S rRNA gene amplicon libraries. There was a broad range in diversity between samples, with inverse Simpson's Diversity indices ranging from 1.28-89.5. There were no statistical differences in the overall microbial community structure between PCR diagnosed Anaplasma/Ehrlichia-positive and negative ticks, but there were differences based on collection method (P < 0.05), collection site (P < 0.05), and sex (P < 0.1) suggesting that environmental factors may structure A. americanum microbiomes. Interestingly, there was not always agreement between Illumina sequencing and PCR diagnostics: Ehrlichia was identified in 16S rRNA gene libraries from three PCR-negative specimens; conversely, Ehrlichia was not found in libraries of six PCR-positive ticks. Illumina sequencing also helped identify co-infections, for example, one specimen had both Ehrlichia and Anaplasma. Other taxa of interest in these specimens included Coxiella, Borrelia, and Rickettsia. Identification of bacterial community differences between specimens of a single tick species from a single geographical site indicates that intra

  8. The Microbiome of Ehrlichia-Infected and Uninfected Lone Star Ticks (Amblyomma americanum)

    PubMed Central

    Trout Fryxell, R. T.; DeBruyn, J. M.

    2016-01-01

    The Lone Star tick, Amblyomma americanum, transmits several bacterial pathogens including species of Anaplasma and Ehrlichia. Amblyomma americanum also hosts a number of non-pathogenic bacterial endosymbionts. Recent studies of other arthropod and insect vectors have documented that commensal microflora can influence transmission of vector-borne pathogens; however, little is known about tick microbiomes and their possible influence on tick-borne diseases. Our objective was to compare bacterial communities associated with A. americanum, comparing Anaplasma/Ehrlichia -infected and uninfected ticks. Field-collected questing specimens (n = 50) were used in the analyses, of which 17 were identified as Anaplasma/Ehrlichia infected based on PCR amplification and sequencing of groEL genes. Bacterial communities from each specimen were characterized using Illumina sequencing of 16S rRNA gene amplicon libraries. There was a broad range in diversity between samples, with inverse Simpson’s Diversity indices ranging from 1.28–89.5. There were no statistical differences in the overall microbial community structure between PCR diagnosed Anaplasma/Ehrlichia-positive and negative ticks, but there were differences based on collection method (P < 0.05), collection site (P < 0.05), and sex (P < 0.1) suggesting that environmental factors may structure A. americanum microbiomes. Interestingly, there was not always agreement between Illumina sequencing and PCR diagnostics: Ehrlichia was identified in 16S rRNA gene libraries from three PCR-negative specimens; conversely, Ehrlichia was not found in libraries of six PCR-positive ticks. Illumina sequencing also helped identify co-infections, for example, one specimen had both Ehrlichia and Anaplasma. Other taxa of interest in these specimens included Coxiella, Borrelia, and Rickettsia. Identification of bacterial community differences between specimens of a single tick species from a single geographical site indicates that intra

  9. Lone workers attitudes towards their health: views of Ontario truck drivers and their managers

    PubMed Central

    2014-01-01

    Background Truck driving is the second most common occupation among Canadian men. Transportation of goods via roads is of crucial importance for the Canadian economy. The industry is responsible annually for $17 billion in GDP and is projected to increase by 28% over the next 10 years. Recruitment is an issue with 20% of drivers projected to retire or leave the profession in the next 10 years. Despite the reliance on transport truck drivers for the delivery of goods which affects Canada’s economy and daily living of residents, little is known about the health care needs of this large cohort of primarily male lone workers from a drivers’ perspective. Transport truck drivers are independent workers whose non traditional workplace is their tractor, the truck stops and the journey on the road. The objective of this study was to obtain a contextually informed description of lifestyle issues, health and disease risk factors experienced by drivers and perceived by their managers in the truck driving occupation. Methods Using a grounded theory approach, 4 focus groups were conducted with drivers (n = 16) and managers (n = 10) from two trucking companies in Southwestern Ontario to identify the lived experience of the drivers as it relates to preventable risks to health and wellness. A semi structured guided interview was used to explore the lifestyle context of transport truck driving and organizational aspects of the occupation (workplace culture, working conditions and health and wellness promotion). Results The predominant themes described stress, workplace, communication, lifestyle, driving culture, family, and fatigue concerns. In terms of the transportation work environment, drivers and managers were aware of the profession’s potential to foster lifestyle related chronic diseases but described challenges in making the profession more amenable to a healthy lifestyle. Conclusions Workplace environmental determinants are significant in shaping health

  10. Pb2Ba3(BO3)3Cl: A Material with Large SHG Enhancement Activated by Pb-Chelated BO3 Groups.

    PubMed

    Dong, Xiaoyu; Jing, Qun; Shi, Yunjing; Yang, Zhihua; Pan, Shilie; Poeppelmeier, Kenneth R; Young, Joshua; Rondinelli, James M

    2015-07-29

    Pb(II) has long been associated with lone pair activity and is often substituted in alkali earth metal borates to create new nonlinear optical (NLO) materials with enhanced second harmonic generation (SHG) capabilities. However, large enhancement in isomorphic Pb-free analogues is rare. Here we report a new NLO material Pb2Ba3(BO3)3Cl with a phase-matching SHG response approximately 3.2× that of KDP and 6× higher than its isomorphic compound Ba5(BO3)3Cl. We show that the enhanced SHG response originates from a unique edge-sharing connection between lead-oxygen polyhedra and boron-oxygen groups, making the dielectric susceptibility more easily affected by the external electric field of an incident photon. This understanding provides a route to identify systems that would benefit from SHG-active cation substitution in isomorphic structures that exhibit weak or null SHG responses. PMID:26147880

  11. Electron Pairing Without Superconductivity

    NASA Astrophysics Data System (ADS)

    Levy, Jeremy; Cheng, G.; Tomczyk, M.; Lu, S.; Veazey, J. P.; Huang, M.; Irvin, P.; Ryu, S.; Lee, H.; Eom, C.-B.; Hellberg, C. S.

    2015-03-01

    Strontium titanate (SrTiO3) exhibits an extremely low carrier density threshold for superconductivity, and possesses a phase diagram similar to high-temperature superconductors--two factors that suggest an unconventional pairing mechanism. We describe transport experiments with nanowire-based quantum dots localized at the interface between SrTiO3 and LaAlO3. Electrostatic gating of the quantum dot reveals a series of two-electron conductance resonances--paired electron states--that bifurcate above a critical magnetic field Bp 1-4 Tesla, an order of magnitude larger than the superconducting critical magnetic field. For B Bp, the resonances exhibit a linear Zeeman-like energy splitting. Electron pairing is stable at temperatures as high as T = 900 mK, far above the superconducting transition temperature (Tc 300 mK). These experiments demonstrate the existence of a robust electronic phase in which electrons pair without forming a superconducting state. Key experimental signatures are captured by an attractive-U Hubbard model that describes real-space electron pairing as a precursor to superconductivity. This work was supported by ARO MURI W911NF-08-1-0317 (J.L.), AFOSR MURI FA9550-10-1-0524 (C.-B.E., J.L.) and FA9550-12-1-0342 (C.-B.E.), and grants from the National Science Foundation DMR-1104191 (J.L.), DMR.

  12. π-Delocalization in the vicinal lone pairs of hydrazines: Electronic effects in derivatives of 1-(2-nitrophenyl)-1-phenylhydrazine

    NASA Astrophysics Data System (ADS)

    Poisson, Joël; Butler, Ian S.; Bohle, D. Scott

    2016-07-01

    Several highly colored, crystalline derivatives of 1-(2-nitrophenyl)-1-phenylhydrazine have been synthesized and characterized by UV-Vis, 1H- and 13C-NMR, mass and IR spectroscopic methods, as well as by single-crystal X-ray diffraction and combustion elemental analysis. The study indicates that the electronic dependence of one nitrogen atom on the other in these systems becomes more pronounced with a decrease in the difference of their formal hybridization. While 1,1-di-aromatic substitution leads to a formal sp2 hybridization at one nitrogen atom, introduction of a π-bond in the form of a Schiff base or an acetylamide function at the second nitrogen atom leads to different hydrazine conformations and N-N bond lengths. One interpretation of these results is that, in many cases, a greater contribution from σ-bonding from two sp2 hybridized nitrogen atoms leads to stronger and shorter N-N bonds than do the often proposed N-N π-bonding double bonds in the absence of significant intermolecular forces.

  13. Synthesis and physicochemical characterization of two lead(II) complexes with O-, N-donor ligands. Lone pair functionality and crystal structure.

    PubMed

    Masternak, Joanna; Barszcz, Barbara; Hodorowicz, Maciej; Khavryuchenko, Oleksiy V; Majka, Alina

    2015-02-01

    A dinuclear [Pb2(4-CHO-5-MeIm)6(NO3)2](NO3)2 (1) and a polynuclear [Pb(2-pzc)2(H2O)]n (2) complexes (where 5(4)-carbaldehyde-4(5)-methylimidazole (5(4)-CHO-4(5)-MeIm) and pyrazine-2-carboxylic acid (2-pzcH)) have been synthesized and characterized by elemental analysis, IR spectroscopy and X-ray crystallography. Structural determination for complex 1 reveals a cationic species [Pb(4-CHO-5-MeIm)3]2+ connected through bridging nitrate(V) ions. There are also an uncoordinated nitrate ions as counterions. Complex 2 is a three-dimensional architecture consisting of Pb6O12 building units. The pyrazine-2-carboxylato ligand behaves as a chelating agent and a bi-connective bridge. The coordination polyhedra around lead(II) ion could be described as a distorted docecahedron (1) or monocapped trigonal prism (2). The luminescent properties of 1 and 2 investigated in the solid state at room temperature indicate structure-dependent photoluminescent properties. The DFT calculations and the X-ray structural data point on rather hemidirected type of coordination around Pb(II) ions of 1 and 2. PMID:25168002

  14. Applications of balanced pairs

    NASA Astrophysics Data System (ADS)

    Li, HuanHuan; Wang, JunFu; Huang, ZhaoYong

    2016-05-01

    Let $(\\mathscr{X}$, $\\mathscr{Y})$ be a balanced pair in an abelian category. We first introduce the notion of cotorsion pairs relative to $(\\mathscr{X}$, $\\mathscr{Y})$, and then give some equivalent characterizations when a relative cotorsion pair is hereditary or perfect. We prove that if the $\\mathscr{X}$-resolution dimension of $\\mathscr{Y}$ (resp. $\\mathscr{Y}$-coresolution dimension of $\\mathscr{X}$) is finite, then the bounded homotopy category of $\\mathscr{Y}$ (resp. $\\mathscr{X}$) is contained in that of $\\mathscr{X}$ (resp. $\\mathscr{Y}$). As a consequence, we get that the right $\\mathscr{X}$-singularity category coincides with the left $\\mathscr{Y}$-singularity category if the $\\mathscr{X}$-resolution dimension of $\\mathscr{Y}$ and the $\\mathscr{Y}$-coresolution dimension of $\\mathscr{X}$ are finite.

  15. Proton NMR-Based Metabolite Analyses of Archived Serial Paired Serum and Urine Samples from Myeloma Patients at Different Stages of Disease Activity Identifies Acetylcarnitine as a Novel Marker of Active Disease

    PubMed Central

    Khanim, Farhat L.; Günther, Ulrich L.; Viant, Mark R.; Morgan, Gareth J.; Bunce, Christopher M.; Drayson, Mark T.

    2013-01-01

    Background Biomarker identification is becoming increasingly important for the development of personalized or stratified therapies. Metabolomics yields biomarkers indicative of phenotype that can be used to characterize transitions between health and disease, disease progression and therapeutic responses. The desire to reproducibly detect ever greater numbers of metabolites at ever diminishing levels has naturally nurtured advances in best practice for sample procurement, storage and analysis. Reciprocally, since many of the available extensive clinical archives were established prior to the metabolomics era and were not processed in such an ‘ideal’ fashion, considerable scepticism has arisen as to their value for metabolomic analysis. Here we have challenged that paradigm. Methods We performed proton nuclear magnetic resonance spectroscopy-based metabolomics on blood serum and urine samples from 32 patients representative of a total cohort of 1970 multiple myeloma patients entered into the United Kingdom Medical Research Council Myeloma IX trial. Findings Using serial paired blood and urine samples we detected metabolite profiles that associated with diagnosis, post-treatment remission and disease progression. These studies identified carnitine and acetylcarnitine as novel potential biomarkers of active disease both at diagnosis and relapse and as a mediator of disease associated pathologies. Conclusions These findings show that samples conventionally processed and archived can provide useful metabolomic information that has important implications for understanding the biology of myeloma, discovering new therapies and identifying biomarkers potentially useful in deciding the choice and application of therapy. PMID:23431376

  16. Morphology transformation in pairs of galaxies - the local sample

    NASA Astrophysics Data System (ADS)

    Junqueira, S.; de Mello, D. F.; Infante, L.

    1998-04-01

    We present photometric analysis of a local sample of 14 isolated pairs of galaxies. The photometric properties analyzed in the local pairs are: colors, morphology, tidal effects and activity. We verify that close pairs have an excess of early-type galaxies and many elliptical galaxies in this pairs are, in fact, lenticular galaxies. Many late-pairs in our sample show strong tidal damage and blue star formation regions. We conclude that pairs of different morphologies may have passed through different evolution processes which violently transformed their morphology. Pairs with at least one early-type component may be descendents of groups of galaxies. However, late-type pairs are probably long-lived showing clearly signs of interaction. Some of them could be seen as an early stage of mergers. These photometric databases will be used for future comparison with more distant pairs in order to study galaxy evolution.

  17. Multi-pair states in electron-positron pair creation

    NASA Astrophysics Data System (ADS)

    Wöllert, Anton; Bauke, Heiko; Keitel, Christoph H.

    2016-09-01

    Ultra strong electromagnetic fields can lead to spontaneous creation of single or multiple electron-positron pairs. A quantum field theoretical treatment of the pair creation process combined with numerical methods provides a description of the fermionic quantum field state, from which all observables of the multiple electron-positron pairs can be inferred. This allows to study the complex multi-particle dynamics of electron-positron pair creation in-depth, including multi-pair statistics as well as momentum distributions and spin. To illustrate the potential benefit of this approach, it is applied to the intermediate regime of pair creation between nonperturbative Schwinger pair creation and perturbative multiphoton pair creation where the creation of multi-pair states becomes nonnegligible but cascades do not yet set in. Furthermore, it is demonstrated how spin and helicity of the created electrons and positrons are affected by the polarization of the counterpropagating laser fields, which induce the creation of electron-positron pairs.

  18. Surface deformation and seismic signatures associated with the eruption cycle of Lone Star Geyser, Yellowstone National Park

    NASA Astrophysics Data System (ADS)

    Gomez, F. G.; Johnson, H. E., III; LeWinter, A. L.; Finnegan, D. C.; Sandvol, E. A.; Nayak, A.; Hurwitz, S.

    2014-12-01

    Geysers are important subjects for studying processes involved with multi-phase eruptions. As part of a larger field effort, this study applies imaging geodesy and seismology to study eruptive cycles of the Lone Star Geyser in Yellowstone National Park. Lone Star Geyser is an ideal candidate for such study, as it erupts with a nearly regular period of approximately 3 hours. The geyser includes a 5 m diameter cone that rises 2 meters above the sinter terrace, and the entire system can be viewed from a nearby hillside. Fieldwork was accomplished during April 2014. Ground-based interferometric radar (GBIR) and terrestrial laser scanning (TLS) were used to image possible surface deformations associated with Lone Star Geyer's eruption cycles. Additional observations were provided by global positioning system (GPS) measurements and six broad-band seismometers deployed in the immediate vicinity of the geyser. The GBIR and TLS were deployed approximately 65 meters from the sinter cone of the geyser. The GBIR involves a ku-band radar (1.7 cm wavelength) that is sensitive to approximately half-millimeter changes in the line-of-sight distance. Radar images were acquired every minute for 3 or more eruptions per day. Temporally redundant, overlapping interferograms were used to improve the sensitivity and interpolate a minute-wise time series of line-of-sight displacement, and efforts were made to account for possible path-delay effects resulting from water vapor around the geyser cone. Repeat (every minute) high-speed TLS scans were acquired for multiple eruption cycles over the course of two-days. Resulting measurement point spacing on the sinter cone was ~3cm. The TLS point-clouds were geo-referenced using static surveyed reflectors and scanner positions. In addition to measuring ground deformation, filtering and classification of the TLS point cloud was used to construct a mask that allows radar interferometry to exclude non-ground areas (vegetation, snow, sensors

  19. Efficacy of amitraz-impregnated collars on white-tailed deer in reducing free-living populations of lone star ticks

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Over a seven year period, we monitored the effect of a commercially available, amitraz impregnated anti-tick collar in controlling free-living populations of lone star ticks, Amblyomma americanum (L.) when manually fitted around the neck of white-tailed deer, Odocoileus virginianus (Zimmermann). St...

  20. Expression of bovine genes associated with a local and systemic immune response to infestation by the Lone Star tick, Amblyomma americanum

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The Lone Star tick, Amblyomma americanum, causes considerable production losses to the Southern U.S. cattle industry due to reduced weight, infertility, secondary infections at bite wounds, damaged hides, and potentially death, as these ticks tend to infest livestock in large numbers. Chemical resid...

  1. Formulations of Deet, Picaridin and IR3535 Applied to Skin Repel Nymphs of the Lone Star Tick (Acari: Ixodidae) for 12 Hours

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The efficacies of a 20% 1-methyl-propyl-2-(hydroxyethyl)-1-piperidinecarboxylate (picaridin) spray, 20% 3-(N-acetyl-N-butyl)aminopropionic acid ethyl ester (IR3535) spray, 20% picaridin lotion, 10% IR3535 lotion, and 33% N,N-diethyl-3-methylbenzamide (deet) cream in repelling nymphal lone star ticks...

  2. Efficacy of amitraz-impregnated collars on white-tailed deer (Artiodactyla: Cervidae) in reducing free-living populations of lone star ticks (Acari: Ixodidae)

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Over a seven year period, we monitored the effect of a commercially available, amitraz impregnated anti-tick collar in controlling free-living populations of lone star ticks, Amblyomma americanum (L.) when manually fitted around necks of white-tailed deer, Odocoileus virginianus (Zimmermann). Study...

  3. Efficacy of amitraz collars on white-tailed deer, Odocoileus virginianus (Zimmerman) (Artiodactyla: Cervidae) against free-living populations of Lone Star Ticks, Amblyomma americanum (L.) (Acari: Ixodidae)

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Collars containing the acaricide amitraz were fitted around necks of white-tailed deer, Odocoileus virginianus (Zimmermann) confined in a 38.8 ha deer-fenced, densely vegetated plot in south Texas to determine efficacy in controlling free-living populations of lone star ticks, Amblyomma americanum (...

  4. Protected Flux Pairing Qubit

    NASA Astrophysics Data System (ADS)

    Bell, Matthew; Zhang, Wenyuan; Ioffe, Lev; Gershenson, Michael

    2014-03-01

    We have studied the coherent flux tunneling in a qubit containing two submicron Josephson junctions shunted by a superinductor (a dissipationless inductor with an impedance much greater than the resistance quantum). The two low energy quantum states of this device, 0 and 1, are represented by even and odd number of fluxes in the loop, respectively. This device is dual to the charge pairing Josephson rhombi qubit. The spectrum of the device, studied by microwave spectroscopy, reflects the interference between coherent quantum phase slips in the two junctions (the Aharonov-Casher effect). The time domain measurements demonstrate the suppression of the qubit's energy relaxation in the protected regime, which illustrates the potential of this flux pairing device as a protected quantum circuit. Templeton Foundation, NSF, and ARO.

  5. A Survey on the Users’ Satisfaction with the Hospital Information Systems (HISs) based on DeLone and McLean’s Model in the Medical-Teaching Hospitals in Isfahan City

    PubMed Central

    Saghaeiannejad-Isfahani, Sakineh; Jahanbakhsh, Maryam; Habibi, Mahboobeh; Mirzaeian, Razieh; Nasirian, Mansoreh; Rad, Javad Sharifi

    2014-01-01

    Background and purpose: The user’s satisfaction with information system in fact denotes the extent the user is satisfied with the system’s achievement in fulfilling his/her information requirements. This study tries to explore the users’ satisfaction with hospital information systems (HISs) based on DeLone and McLean’s model focusing on the medical-teaching hospitals of Isfahan city. Methodology: This study which was applied and descriptive-analytical in nature was carried out in the medical-teaching hospitals of Isfahan city in 2009. Research population consisted of the system users from which a sample was selected using random sampling method. The size of the sample was 228. Data collection instrument was a self-developed questionnaire produced based on the satisfaction criterion in the DeLone and McLean’s model. Its content validity was assessed based on the opinions given by the computer sciences professionals with its estimated Cronbach’s alpha found to be 92.2%. The data were analyzed using SPSS software. Findings: As the findings of the study showed, the differences among the mean scores obtained for the satisfaction with different kinds of HISs in use in the hospitals were statistically significant (p value≤0.05). Generally, Kowsar System (old version) and Pouya Samaneh Diva system gained the highest and lowest mean scores for the criterion in question, respectively. The overall mean score for the satisfaction was 54.6% for different types of systems and 55.6% among the hospitals. Conclusion: Given the findings of the study, it can be argued that based on the used model, the level of users’ satisfaction with the systems in question was relatively good. However, to achieve the total optimum condition, when designing the system, the factors affecting the enhancement of the users’ satisfaction and the type of hospital activity and specialty must be given special consideration. PMID:25132711

  6. Stereo Pair, Patagonia, Argentina

    NASA Technical Reports Server (NTRS)

    2000-01-01

    This view of northern Patagonia, at Los Menucos, Argentina shows remnants of relatively young volcanoes built upon an eroded plain of much older and contorted volcanic, granitic, and sedimentary rocks. The large purple, brown, and green 'butterfly' pattern is a single volcano that has been deeply eroded. Large holes on the volcano's flanks indicate that they may have collapsed soon after eruption, as fluid molten rock drained out from under its cooled and solidified outer shell. At the upper left, a more recent eruption occurred and produced a small volcanic cone and a long stream of lava, which flowed down a gully. At the top of the image, volcanic intrusions permeated the older rocks resulting in a chain of small dark volcanic peaks. At the top center of the image, two halves of a tan ellipse pattern are offset from each other. This feature is an old igneous intrusion that has been split by a right-lateral fault. The apparent offset is about 6.6 kilometers (4 miles). Color, tonal, and topographic discontinuities reveal the fault trace as it extends across the image to the lower left. However, young unbroken basalt flows show that the fault has not been active recently.

    This cross-eyed stereoscopic image pair was generated using topographic data from the Shuttle Radar Topography Mission, combined with an enhanced Landsat 7satellite color image. The topography data are used to create two differing perspectives of a single image, one perspective for each eye. In doing so, each point in the image is shifted slightly, depending on its elevation. When stereoscopically merged, the result is a vertically exaggerated view of the Earth's surface in its full three dimensions.

    Landsat satellites have provided visible light and infrared images of the Earth continuously since 1972. SRTM topographic data match the 30-meter (99-foot) spatial resolution of most Landsat images and provide a valuable complement for studying the historic and growing Landsat data archive

  7. Efficacy of amitraz applied to white-tailed deer by the '4-poster' topical treatment device in controlling free-living lone star ticks (Acari: Ixodidae).

    PubMed

    Pound, J M; Miller, J A; George, J E

    2000-11-01

    White-tailed deer treated themselves with a commercial pour-on acaricide formulation containing 2% amitraz as they fed from an ARS-patented '4-poster' topical treatment device. Whole kernel corn attracted deer to a single device placed in each of two deer-fenced pastures. In the treatment pasture, the rollers of the treatment device were charged with the acaricide, whereas the rollers of the device in the other pasture remained untreated. Deer were allowed to use the '4-posters' during periods of tick activity beginning in early to midspring and lasting through late summer to early fall for three consecutive years. Pretreatment sampling of adults and nymphs with dry-ice traps and larval masses with flip cloths showed no significant differences in population indices between the two pastures; however, after the third year of treatment, control of nymphal and adult ticks in the treated pasture was 91.9 and 93.7%, respectively, when compared with the untreated pasture. Control of larval masses increased from 68.4% in year 1 to 96.4% in year 2, but declined to 88.0% in year 3, probably because of the presence of feral hogs. This study demonstrated that application of amitraz to white-tailed deer through free-choice interaction with a '4-poster' device significantly reduced the abundance of free-living lone star ticks in a deer-fenced experimental pasture. Moreover, the yearly pattern of incremental increases in control and the final percentage control values for all three parasitic life stages in this topical application study were similar in magnitude to that observed in a previously conducted study in which the systemic acaricide ivermectin was used to reduce populations of free-living ticks by controlling ticks on deer. PMID:11126544

  8. Comparison of flagging, walking, trapping, and collecting from hosts as sampling methods for northern deer ticks, Ixodes dammini, and lone-star ticks, Amblyomma americanum (Acari:Ixodidae).

    PubMed

    Ginsberg, H S; Ewing, C P

    1989-09-01

    Ticks were sampled by flagging, collecting from the investigator's clothing (walking samples), trapping with dry-ice bait, and collecting from mammal hosts on Fire Island, NY, U.S.A. The habitat distribution of adult deer ticks, Ixodes dammini, was the same in simultaneous collections from the investigator's clothing and from muslin flags. Walking and flagging samples can both be biased by differences between investigators, so the same person should do comparative samples whenever possible. Walking samples probably give a more accurate estimate than flagging samples of the human risk of encountering ticks. However, ticks (such as immature I. dammini) that seek hosts in leaf litter and ground-level vegetation are poorly sampled by walking collections. These ticks can be sampled by flagging at ground level. Dry-ice-baited tick-traps caught far more lone-star ticks, Amblyomma americanum, than deer ticks, even in areas where deer ticks predominated in flagging samples. In comparisons of tick mobility in the lab, nymphal A. americanum were more mobile than nymphal I. dammini in 84% of the trials. Therefore, the trapping bias may result from increased trap encounter due to more rapid movement by A. americanum, although greater attraction to carbon dioxide may also play a role. Tick traps are useful for intraspecific between-habitat comparisons. Early in their seasonal activity period, larval I. dammini were better represented in collections from mouse hosts than in flagging samples. Apparently, sampling from favored hosts can detect ticks at low population levels, but often cannot be used to get accurate estimates of pathogen prevalence in questing ticks. PMID:2806016

  9. Analysis of the quality of hospital information systems in Isfahan teaching hospitals based on the DeLone and McLean model

    PubMed Central

    Saghaeiannejad-Isfahani, Sakineh; Saeedbakhsh, Saeed; Jahanbakhsh, Maryam; Habibi, Mahboobeh

    2015-01-01

    Background: Quality is one of the most important criteria for the success of an information system, which refers to its desirable features of the processing system itself. The aim of this study was the analysis of system quality of hospital information systems (HIS) in teaching hospitals of Isfahan based on the DeLone and McLean model. Materials and Methods: This research was an applied and analytical-descriptive study. It was performed in teaching hospitals of Isfahan in 2010. The research population consisted of the HIS's users, system designers and hospital information technology (IT) authorities who were selected by random sampling method from users’ group (n = 228), and system designers and IT authorities (n = 52) using census method. The data collection tool was two researcher-designed questionnaires. Questionnaires’ reliability was estimated by using Cronbach's alpha was calculated. It was 97.1% for the system designers and IT authorities’ questionnaire and 92.3% for system users’ questionnaire. Results: Findings showed that the mean of system quality score in a variety of HIS and among different hospitals was significantly different and not the same (P value ≥ 0.05). In general, Kosar (new version) system and Rahavard Rayaneh system have dedicated the highest and the lowest mean scores to themselves. The system quality criterion overall mean was 59.6% for different HIS and 57.5% among different hospitals respectively. Conclusion: According to the results of the research, it can be stated that based on the applied model, the investigated systems were relatively desirable in terms of quality. Thus, in order to achieve a good optimal condition, it is necessary to pay particular attention to the improving factors of system quality, type of activity, type of specialty and hospital ownership type. PMID:25767816

  10. Relationships of High-sensitive C-reactive Protein and P-wave Dispersion in Lone Atrial Fibrillation

    PubMed Central

    Zheng, Li-Hui; Yao, Yan; Wu, Ling-Min; Zhang, Kui-Jun; Zhang, Shu

    2015-01-01

    Background: Current evidence links atrial fibrillation (AF) to the inflammation. Inflammatory indexes such as high-sensitive C-reactive protein (hs-CRP) have been related to the development and persistence of AF. However, the role of inflammation in the atrial electrophysiological remodeling indexed by P-wave dispersion (Pd) remains unclear. Methods: The study consisted of 71 patients with lone paroxysmal AF (AF group) and 71 age- and gender-matched controls of paroxysmal supraventricular tachycardia without history of AF (control group). Electrocardiography, Pd, hs-CRP, and other clinical characteristics were compared between the two groups. Results: There was no significant difference between the two groups regarding age, gender, hyperlipidemia, etc. Compared to controls, left atrial diameter (44 ± 7 vs 39 ± 7 mm), Pd (49 ± 13 vs 26 ± 8 ms), and hs-CRP (2.17 [1.46–2.89] vs 1.12 [0.74–1.41] mg/L) were increased (P < 0.05), respectively. Linear regression identified hs-CRP as an independent correlation of Pd level both in the total population and the AF group (r = 0.464 and 0.313; P < 0.001, respectively). Multiple logistic regression revealed hs-CRP as an independent determinant of AF (odds ratio [OR] =15.430, 95% confidence interval: 6.031–39.476: P <0.001). Further adjusted for Pd, both Pd and hs-CRP were independent predictors for AF, but the OR for hs-CRP in predicting AF has been attenuated from 15.430 to 6.246. Conclusions: In lone AF, Pd and plasma hs-CRP concentration are inter-associated and related to AF. The interaction between hs-CRP and AF may be mediated by Pd, suggesting an important role of inflammation in the atrial electrophysiological remodeling predisposing to AF. PMID:26021499

  11. The genome sequence of Lone Star virus, a highly divergent bunyavirus found in the Amblyomma americanum tick.

    PubMed

    Swei, Andrea; Russell, Brandy J; Naccache, Samia N; Kabre, Beniwende; Veeraraghavan, Narayanan; Pilgard, Mark A; Johnson, Barbara J B; Chiu, Charles Y

    2013-01-01

    Viruses in the family Bunyaviridae infect a wide range of plant, insect, and animal hosts. Tick-borne bunyaviruses in the Phlebovirus genus, including Severe Fever with Thrombocytopenia Syndrome virus (SFTSV) in China, Heartland virus (HRTV) in the United States, and Bhanja virus in Eurasia and Africa have been associated with acute febrile illness in humans. Here we sought to characterize the growth characteristics and genome of Lone Star virus (LSV), an unclassified bunyavirus originally isolated from the lone star tick Amblyomma americanum. LSV was able to infect both human (HeLa) and monkey (Vero) cells. Cytopathic effects were seen within 72 h in both cell lines; vacuolization was observed in infected Vero, but not HeLa, cells. Viral culture supernatants were examined by unbiased deep sequencing and analysis using an in-house developed rapid computational pipeline for viral discovery, which definitively identified LSV as a phlebovirus. De novo assembly of the full genome revealed that LSV is highly divergent, sharing <61% overall amino acid identity with any other bunyavirus. Despite this sequence diversity, LSV was found by phylogenetic analysis to be part of a well-supported clade that includes members of the Bhanja group viruses, which are most closely related to SFSTV/HRTV. The genome sequencing of LSV is a critical first step in developing diagnostic tools to determine the risk of arbovirus transmission by A. americanum, a tick of growing importance given its expanding geographic range and competence as a disease vector. This study also underscores the power of deep sequencing analysis in rapidly identifying and sequencing the genomes of viruses of potential clinical and public health significance. PMID:23637969

  12. The Genome Sequence of Lone Star Virus, a Highly Divergent Bunyavirus Found in the Amblyomma americanum Tick

    PubMed Central

    Swei, Andrea; Russell, Brandy J.; Naccache, Samia N.; Kabre, Beniwende; Veeraraghavan, Narayanan; Pilgard, Mark A.; Johnson, Barbara J. B.; Chiu, Charles Y.

    2013-01-01

    Viruses in the family Bunyaviridae infect a wide range of plant, insect, and animal hosts. Tick-borne bunyaviruses in the Phlebovirus genus, including Severe Fever with Thrombocytopenia Syndrome virus (SFTSV) in China, Heartland virus (HRTV) in the United States, and Bhanja virus in Eurasia and Africa have been associated with acute febrile illness in humans. Here we sought to characterize the growth characteristics and genome of Lone Star virus (LSV), an unclassified bunyavirus originally isolated from the lone star tick Amblyomma americanum. LSV was able to infect both human (HeLa) and monkey (Vero) cells. Cytopathic effects were seen within 72 h in both cell lines; vacuolization was observed in infected Vero, but not HeLa, cells. Viral culture supernatants were examined by unbiased deep sequencing and analysis using an in-house developed rapid computational pipeline for viral discovery, which definitively identified LSV as a phlebovirus. De novo assembly of the full genome revealed that LSV is highly divergent, sharing <61% overall amino acid identity with any other bunyavirus. Despite this sequence diversity, LSV was found by phylogenetic analysis to be part of a well-supported clade that includes members of the Bhanja group viruses, which are most closely related to SFSTV/HRTV. The genome sequencing of LSV is a critical first step in developing diagnostic tools to determine the risk of arbovirus transmission by A. americanum, a tick of growing importance given its expanding geographic range and competence as a disease vector. This study also underscores the power of deep sequencing analysis in rapidly identifying and sequencing the genomes of viruses of potential clinical and public health significance. PMID:23637969

  13. Existence of best proximity pairs and equilibrium pairs

    NASA Astrophysics Data System (ADS)

    Kim, Won Kyu; Lee, Kyoung Hee

    2006-04-01

    In this paper, using the fixed point theorem for Kakutani factorizable multifunctions, we shall prove new existence theorems of best proximity pairs and equilibrium pairs for free abstract economies, which include the previous fixed point theorems and equilibrium existence theorems.

  14. Using Interviews and Peer Pairs to Better Understand How School Environments Affect Young Children's Playground Physical Activity Levels: A Qualitative Study

    ERIC Educational Resources Information Center

    Parrish, Anne-Maree; Yeatman, Heather; Iverson, Don; Russell, Ken

    2012-01-01

    School break times provide a daily opportunity for children to be active; however, research indicates this time is underutilized. Reasons for low children's playground activity levels have primarily focused on physical barriers. This research aimed to contribute to physical environmental findings affecting children's playground physical activity…

  15. Feasibility of Pairing Behavioral Activation With Exercise for Women With Type 2 Diabetes and Depression: The Get It Study Pilot Randomized Controlled Trial.

    PubMed

    Schneider, Kristin L; Panza, Emily; Handschin, Barbara; Ma, Yunsheng; Busch, Andrew M; Waring, Molly E; Appelhans, Bradley M; Whited, Matthew C; Keeney, Jacey; Kern, Daniel; Blendea, Mihaela; Ockene, Ira; Pagoto, Sherry L

    2016-03-01

    Major depressive disorder is often comorbid with diabetes and associated with worse glycemic control. Exercise improves glycemic control and depression, and thus could be a parsimonious intervention for patients with comorbid diabetes and major depression. Because patients with diabetes and comorbid depression are often sedentary and lack motivation to exercise, we developed a group exercise intervention that integrates strategies from behavioral activation therapy for depression to increase motivation for and enjoyment of exercise. We conducted a 6-month pilot randomized controlled trial to test the feasibility of the behavioral activation exercise intervention (EX) for women with diabetes and depression. Of the 715 individuals who contacted us about the study, 29 participants were randomized to the EX condition or an enhanced usual care condition (EUC), which represents 4.1% of participants who initially contacted us. Inclusion criteria made recruitment challenging and limits the feasibility of recruiting women with diabetes and depression for a larger trial of the intervention. Retention was 96.5% and 86.2% at 3 and 6months. Participants reported high treatment acceptability; use of behavioral activation strategies and exercise class attendance was acceptable. No condition differences were observed for glycemic control, depressive symptoms, and physical activity, though depressive symptoms and self-reported physical activity improved over time. Compared to participants in the EUC condition, participants in the EX condition reported greater exercise enjoyment and no increase in avoidance behavior over time. Using behavioral activation strategies to increase exercise is feasible in a group exercise setting. However, whether these strategies can be delivered in a less intensive manner to a broader population of sedentary adults, for greater initiation and maintenance of physical activity, deserves further study. PMID:26956652

  16. Coupling of Activity at Neighbouring Volcanoes in Iceland: Ground Deformation and Activity at the Bárðarbunga-Tungnafellsjökull and Eyjafjallajökull-Katla Volcano Pairs

    NASA Astrophysics Data System (ADS)

    Parks, M.; Heimisson, E. R.; Sigmundsson, F.; Hooper, A. J.; Ofeigsson, B.; Vogfjord, K. S.; Arnadottir, T.; Dumont, S.; Drouin, V.; Bagnardi, M.; Spaans, K.; Hreinsdottir, S.; Friðriksdóttir, H. M.; Jonsdottir, K.; Guðmundsson, G.; Hensch, M.; Hjaltadottir, S.; Hjartardottir, A. R.; Einarsson, P.; Gudmundsson, M. T.; Hognadottir, T.; Lafemina, P.; Geirsson, H.; Sturkell, E.; Magnússon, E.

    2015-12-01

    Interferometric Synthetic Aperture Radar (InSAR) techniques are used to generate a time series of high-resolution deformation measurements, in the vicinity of two pairs of closely spaced volcanoes in Iceland: Bárðarbunga and Tungnafellsjökull, as well as Eyjafjallajökull and Katla. Following the declaration of Icelandic Volcanoes as a Permanent Geohazard Supersite in 2013, a considerable amount of SAR data was made available for both past and future satellite acquisitions, including new X-band images and historic C-band images. InSAR time series have been formed using these data and compared to other geodetic and microseismic measurements to determine the most likely processes responsible for recently observed deformation and/or seismicity. A comprehensive network of seismometers and continuous GPS stations are already deployed at these volcanoes and a series of campaign GPS measurements have been undertaken since 2010. We present an overview of the temporal variation in InSAR observations and these complementary field based measurements at Bárðarbunga and Tungnafellsjökull from 2014-2015 (covering the recent eruption at Holuhraun and contemporaneous slow collapse of the Bárðarbunga caldera), and Eyjafjallajökull and Katla volcanoes from 2010 onwards, after the 2010 explosive eruption of Eyjafjallajökull. We undertake a joint InSAR-GPS inversion using a Markov-chain Monte Carlo approach. The best-fit source geometries responsible for both the inflation of a 50 km long dyke and simultaneous deflation of the Bárðarbunga central volcano during the 2014-2015 unrest and eruption are found. Using these we calculate the stress changes associated with the Bárðarbunga deformation events and compare our results to the location of earthquake swarms in the vicinity of neighbouring Tungnafellsjökull, where seismic activity increased significantly following the onset of unrest at Bárðarbunga in August 2014. We also determine the optimal source parameters for

  17. Experiments on a Cooper pair insulator

    NASA Astrophysics Data System (ADS)

    Nguyen, Hung Q.

    At temperatures below 1K, nm thick a-Bi/Sb films, patterned with a nanohoneycomb array of holes, exhibit a novel electronic state consisting of localized Cooper pairs[1]. The Superconductor Insulator Transition (SIT), a phenomenon where the ground state of electrons is tuned from a superconducting to an insulating state, on this patterned homogeneous system shows a clear bosonic nature with activated transport on the insulating side. To date, this homogeneous system is the only one that shows clear evidence for the localization of Cooper pairs. Experiments are described that were performed to further characterize the properties of the localized Cooper pair state and its superconductor to insulator transitions. We show that: (i) The shape of the magnetoresistance (MR) oscillations, which indicate the presence of Cooper pairs in these multiply connected systems, depends on the geometry of the underlying substrates, but not on parameters like the temperature or thickness of the films. The magnetic field tuned SITs of films that are just thick enough to superconduct at zero magnetic field exhibit a common critical sheet resistance separating the superconducting and insulating phases in the range of 3.5 to 5kO. We also report a new type of SIT, an incommensurability driven SIT, which occurs due to the interplay of magnetic field and disorder in the arrangement of the honeycomb array of holes. (ii) The Cooper pair insulator state exhibits a giant positive MR, which peaks at a field estimated to be sufficient to break the pairs. The electrical transport on the low field side of the peak is activated. At the highest fields, it resembles G ˜ log(T), which is consistent with the behavior expected for weakly localized electrons rather than strongly localized Cooper pairs. We discuss this MR peak, compare it to that observed in other amorphous systems and propose a zero temperature phase diagram for these films.

  18. Multiprocessor switch with selective pairing

    SciTech Connect

    Gara, Alan; Gschwind, Michael K; Salapura, Valentina

    2014-03-11

    System, method and computer program product for a multiprocessing system to offer selective pairing of processor cores for increased processing reliability. A selective pairing facility is provided that selectively connects, i.e., pairs, multiple microprocessor or processor cores to provide one highly reliable thread (or thread group). Each paired microprocessor or processor cores that provide one highly reliable thread for high-reliability connect with a system components such as a memory "nest" (or memory hierarchy), an optional system controller, and optional interrupt controller, optional I/O or peripheral devices, etc. The memory nest is attached to a selective pairing facility via a switch or a bus

  19. Multiple origins of asteroid pairs

    NASA Astrophysics Data System (ADS)

    Jacobson, Seth A.

    2016-01-01

    Rotationally fissioned asteroids produce unbound asteroid pairs that have very similar heliocentric orbits. Backward integration of their current heliocentric orbits provides an age of closest proximity that can be used to date the rotational fission event. Most asteroid pairs follow a predicted theoretical relationship between the primary spin period and the mass ratio of the two pair members that is a direct consequence of the YORP-induced rotational fission hypothesis. If the progenitor asteroid has strength, asteroid pairs may have higher mass ratios or faster rotating primaries. However, the process of secondary fission leaves the originally predicted trend unaltered. We also describe the characteristics of pair members produced by four alternative routes from a rotational fission event to an asteroid pair. Unlike direct formation from the event itself, the age of closest proximity of these pairs cannot generally be used to date the rotational fission event since considerable time may have passed.

  20. The Penrose photoproduction scenario for NGC 4151: A black hole gamma-ray emission mechanism for active galactic nuclei and Seyfert galaxies. [Compton scattering and pair production

    NASA Technical Reports Server (NTRS)

    Leiter, D.

    1979-01-01

    A consistent theoretical interpretation is given for the suggestion that a steepening of the spectrum between X-ray and gamma ray energies may be a general, gamma-ray characteristic of Seyfert galaxies, if the diffuse gamma ray spectrum is considered to be a superposition of unresolved contributions, from one or more classes of extragalactic objects. In the case of NGC 4151, the dominant process is shown to be Penrose Compton scattering in the ergosphere of a Kerr black hole, assumed to exist in the Seyfert's active galactic nucleus.

  1. Stereo Pair, Honolulu, Oahu

    NASA Technical Reports Server (NTRS)

    2000-01-01

    Honolulu, on the island of Oahu, is a large and growing urban area. This stereoscopic image pair, combining a Landsat image with topography measured by the Shuttle Radar Topography Mission (SRTM), shows how topography controls the urban pattern. This color image can be viewed in 3-D by viewing the left image with the right eye and the right image with the left eye (cross-eyed viewing), or by downloading and printing the image pair, and viewing them with a stereoscope.

    Features of interest in this scene include Diamond Head (an extinct volcano near the bottom of the image), Waikiki Beach (just above Diamond Head), the Punchbowl National Cemetary (another extinct volcano, near the image center), downtown Honolulu and Honolulu harbor (image left-center), and offshore reef patterns. The slopes of the Koolau mountain range are seen in the right half of the image. Clouds commonly hang above ridges and peaks of the Hawaiian Islands, but in this synthesized stereo rendition appear draped directly on the mountains. The clouds are actually about 1000 meters (3300 feet) above sea level.

    This stereoscopic image pair was generated using topographic data from the Shuttle Radar Topography Mission, combined with a Landsat 7 Thematic Mapper image collected at the same time as the SRTM flight. The topography data were used to create two differing perspectives, one for each eye. When stereoscopically merged, the result is a vertically exaggerated view of the Earth's surface in its full three dimensions. The United States Geological Survey's Earth Resources Observations Systems (EROS) Data Center, Sioux Falls, South Dakota, provided the Landsat data.

    The Shuttle Radar Topography Mission (SRTM), launched on February 11, 2000, used the same radar instrument that comprised the Spaceborne Imaging Radar-C/X-Band Synthetic Aperture Radar (SIR-C/X-SAR) that flew twice on the Space Shuttle Endeavour in 1994. The mission was designed to collect three-dimensional measurements of the

  2. Stratigraphy, depositional history, and trapping mechanisms of Lone Tree Creek and Lodgepole Creek oil fields, Lower Cretaceous Fall River formation, Powder River Basin, Wyoming

    SciTech Connect

    Gustason, E.R.; Ryer, T.A.

    1985-05-01

    Stratigraphically trapped accumulations of oil in the Lone Tree Creek and Lodgepole Creek fields occur within and just updip from a fluvial meander belt within the Fall River Formation. The meander belt can be mapped north-to-south over a distance of at least 100 mi (161 km) in the eastern part of the Powder River basin. The northern part of the meander belt contains the oil fields of the Coyote Creek-Miller Creek trend; the southern part contains only the relatively small Lone Tree Creek and Lodgepole Creek fields. These small fields are of considerable interest, as they display a style of stratigraphic trapping of hydrocarbons not observed in the prolific Coyote Creek-Miller Creek trend. The stratigraphic traps of the Coyote Creek-Miller Creek trend occur at updip facing convexities along the eastern edge of the meander belt, with abandonment clay plugs serving as lateral permeability barriers to hydrocarbon migration. Oil has been produced in part of the Lone Tree Creek field from a similar trap. The remaining part of Lone Tree Creek field and Lodgepole creek field produce from stratigraphic traps formed by lateral pinch-outs of delta-front sandstone bodies. These traps are situated updip from and apparently in continuity with the meander-belt deposits, indicating that they may have been charged with hydrocarbons that found their way through the clay-plug barriers along the margin of the meander belt. Similar, undiscovered traps may exist updip from Fall River meander belts elsewhere in the basin.

  3. Stereo Pair, Pasadena, California

    NASA Technical Reports Server (NTRS)

    2000-01-01

    This stereoscopic image pair is a perspective view that shows the western part of the city of Pasadena, California, looking north toward the San Gabriel Mountains. Portions of the cities of Altadena and La Canada Flintridge are also shown. The cluster of large buildings left of center, at the base of the mountains, is the Jet Propulsion Laboratory. This image shows the power of combining data from different sources to create planning tools to study problems that affect large urban areas. In addition to the well-known earthquake hazards, Southern California is affected by a natural cycle of fire and mudflows. Data shown in this image can be used to predict both how wildfires spread over the terrain and how mudflows are channeled down the canyons.

    The image was created from three datasets: the Shuttle Radar Topography Mission (SRTM) supplied the elevation, U. S. Geological Survey digital aerial photography provided the image detail, and the Landsat Thematic Mapper provided the color. The United States Geological Survey's Earth Resources Observations Systems (EROS) Data Center, Sioux Falls, South Dakota, provided the Landsat data and the aerial photography. The image can be viewed in 3-D by viewing the left image with the right eye and the right image with the left eye (cross-eyed viewing), or by downloading and printing the image pair, and viewing them with a stereoscope.

    The Shuttle Radar Topography Mission (SRTM), launched on February 11, 2000, used the same radar instrument that comprised the Spaceborne Imaging Radar-C/X-Band Synthetic Aperture Radar (SIR-C/X-SAR) that flew twice on the Space Shuttle Endeavour in 1994. The mission was designed to collect three-dimensional measurements of the Earth's surface. To collect the 3-D data, engineers added a 60-meter-long (200-foot) mast, an additional C-band imaging antenna and improved tracking and navigation devices. The mission is a cooperative project between the National Aeronautics and Space Administration

  4. United States Air Force 611th Air Support Group/Civil Engineering Squadron, Elmendorf AFB, Alaska. Risk assessment Point Lonely Radar Installation, Alaska. Final report

    SciTech Connect

    Karmi, S.

    1996-04-01

    This document contains the baseline human health risk assessment and the ecological risk assessment (ERA) for the Point Lonely Distant Early Warning (DEW) Line radar installation. Twelve sites at the Point Lonely radar installation underwent remedial investigations (RIs) during the summer of 1993. The Vehicle Storage Area (SS14) was combined with the Inactive Landfill because the two sites were essentially co-located and were sampled during the RI as a single unit. Therefore, 11 sites are discussed in this risk assessment. The presence of chemical contamination in the soil, sediments, and surface water at the installation was evaluated and reported in the Point Lonely Remedial Investigation/Feasibility Study (RI/FS). The analytical data reported in the RI/FS form the basis for the human health and ecological risk assessments. The primary chemicals of concern (COCs) at the 11 sites are diesel and gasoline from past spills and/or leaks, chlorinated solvents, and manganese. The 11 sites investigated and the types of samples collected at each site are presented.

  5. Modeling the Present and Future Geographic Distribution of the Lone Star Tick, Amblyomma americanum (Ixodida: Ixodidae), in the Continental United States.

    PubMed

    Springer, Yuri P; Jarnevich, Catherine S; Barnett, David T; Monaghan, Andrew J; Eisen, Rebecca J

    2015-10-01

    The Lone star tick (Amblyomma americanum L.) is the primary vector for pathogens of significant public health importance in North America, yet relatively little is known about its current and potential future distribution. Building on a published summary of tick collection records, we used an ensemble modeling approach to predict the present-day and future distribution of climatically suitable habitat for establishment of the Lone star tick within the continental United States. Of the nine climatic predictor variables included in our five present-day models, average vapor pressure in July was by far the most important determinant of suitable habitat. The present-day ensemble model predicted an essentially contiguous distribution of suitable habitat extending to the Atlantic coast east of the 100th western meridian and south of the 40th northern parallel, but excluding a high elevation region associated with the Appalachian Mountains. Future ensemble predictions for 2061-2080 forecasted a stable western range limit, northward expansion of suitable habitat into the Upper Midwest and western Pennsylvania, and range contraction along portions of the Gulf coast and the lower Mississippi river valley. These findings are informative for raising awareness of A. americanum-transmitted pathogens in areas where the Lone Star tick has recently or may become established. PMID:26217042

  6. Modeling the present and future geographic distribution of the Lone star tick, Amblyomma americanum (Ixodida: Ixodidae), in the continental United States

    USGS Publications Warehouse

    Springer, Yuri P; Jarnevich, Catherine S.; Barnett, David T.; Monaghan, Andrew J.; Eisen, Rebecca J

    2015-01-01

    The Lone star tick (Amblyomma americanum L.) is the primary vector for pathogens of significant public health importance in North America, yet relatively little is known about its current and potential future distribution. Building on a published summary of tick collection records, we used an ensemble modeling approach to predict the present-day and future distribution of climatically suitable habitat for establishment of the Lone star tick within the continental United States. Of the nine climatic predictor variables included in our five present-day models, average vapor pressure in July was by far the most important determinant of suitable habitat. The present-day ensemble model predicted an essentially contiguous distribution of suitable habitat extending to the Atlantic coast east of the 100th western meridian and south of the 40th northern parallel, but excluding a high elevation region associated with the Appalachian Mountains. Future ensemble predictions for 2061–2080 forecasted a stable western range limit, northward expansion of suitable habitat into the Upper Midwest and western Pennsylvania, and range contraction along portions of the Gulf coast and the lower Mississippi river valley. These findings are informative for raising awareness of A. americanum-transmitted pathogens in areas where the Lone Star tick has recently or may become established.

  7. Pygmy stars: first pair.

    PubMed

    Zwicky, F

    1966-07-01

    The binary LP 101-15/16 having the proper motion of 1.62 seconds of arc per year has been studied with the prime-focus spectrograph of the 200-inch (508 cm) telescope. Indications are that LP 101-15/16 is the first pair of pygmy stars ever discovered. One of its components, LP 101-16, is probably a blue pygmy star which is at least four magnitudes fainter than the ordinary white dwarfs. Also, two of the Balmer lines in absorption appear to be displaced toward the red by amounts which indicate the existence of an Einstein gravitational red shift corresponding to about 1000 km sec-1. On the other hand LP 101-15 is red and shows an entirely new type of spectrum, which suggests that it may be a first representative of a type of red pygmy star which is 2.5 magnitudes fainter than the M-type dwarf stars of the main sequence. PMID:17730606

  8. Ion Pairing in Alkali Nitrate Electrolyte Solutions.

    PubMed

    Xie, Wen Jun; Zhang, Zhen; Gao, Yi Qin

    2016-03-10

    In this study, we investigate the thermodynamics of alkali nitrate salt solutions, especially the formation of contact ion pairs between alkali cation and nitrate anion. The ion-pairing propensity shows an order of LiNO3 < NaNO3 < KNO3. Such results explain the salt activity coefficients and suggest that the empirical "law of matching water affinity" is followed by these alkali nitrate salt solutions. The spatial patterns of contact ion pairs are different in the three salt solutions studied here: Li(+) forms the contact ion pair with only one oxygen of the nitrate while Na(+) and K(+) can also be shared by two oxygens of the nitrate. In reproducing the salt activity coefficient using Kirkwood-Buff theory, we find that it is essential to include electronic polarization for Li(+) which has a high charge density. The electronic continuum correction for nonpolarizable force field significantly improves the agreement between the calculated activity coefficients and their experimental values. This approach also improves the performance of the force field on salt solubility. From these two aspects, this study suggests that electronic continuum correction can be a promising approach to force-field development for ions with high charge densities. PMID:26901167

  9. Evaluation of DEET and eight essential oils for repellency against nymphs of the lone star tick, Amblyomma americanum (Acari: Ixodidae).

    PubMed

    Meng, Hao; Li, Andrew Y; Costa Junior, Livio M; Castro-Arellano, Ivan; Liu, Jingze

    2016-02-01

    DEET and Eight commercially available essential oils (oregano, clove, thyme, vetiver, sandalwood, cinnamon, cedarwood, and peppermint) were evaluated for repellency against host-seeking nymphs of the lone star tick, Amblyomma americanum. Concentration-repellency response was established using the vertical paper bioassay technique for each essential oil and compared with that of N,N-diethyl-3-methyl benzamide (DEET), a standard repellent compound present in many commercial repellent formulations. The effective concentration of DEET that repels 50% of ticks (EC50) was estimated at 0.02 mg/cm(2), while EC50s of the essential oils fall between 0.113 and 0.297 mg/cm(2). Based on EC50 estimates, oregano essential oil was the most effective among all essential oils tested, followed by clove, thyme, vetiver, sandalwood, cinnamon, cedarwood, and peppermint oils. None of the tested essential oils demonstrated a level of tick repellency found with DEET. Results from this study illustrated the challenge in search for more effective natural tick repellents. PMID:26590930

  10. TYPE 2 ACTIVE GALACTIC NUCLEI WITH DOUBLE-PEAKED [O III] LINES: NARROW-LINE REGION KINEMATICS OR MERGING SUPERMASSIVE BLACK HOLE PAIRS?

    SciTech Connect

    Liu Xin; Shen Yue; Strauss, Michael A.; Greene, Jenny E.

    2010-01-01

    We present a sample of 167 type 2 active galactic nuclei (AGNs) with double-peaked [O III] lambdalambda4959,5007 narrow emission lines, selected from the Seventh Data Release of the Sloan Digital Sky Survey. The double-peaked profiles can be well modeled by two velocity components, blueshifted and redshifted from the systemic velocity. Half of these objects have a more prominent redshifted component. In cases where the Hbeta emission line is strong, it also shows two velocity components whose line-of-sight (LOS) velocity offsets are consistent with those of [O III]. The relative LOS velocity offset between the two components is typically a few hundred km s{sup -1}, larger by a factor of approx1.5 than the line full width at half maximum of each component. The offset correlates with the host stellar velocity dispersion sigma{sub *}. The host galaxies of this sample show systematically larger sigma{sub *}, stellar masses, and concentrations, and older luminosity-weighted mean stellar ages than a regular type 2 AGN sample matched in redshift, [O III] lambda5007 equivalent width, and luminosity; they show no significant difference in radio properties. These double-peaked features could be due to narrow-line region kinematics, or binary black holes. The statistical properties do not show strong preference for or against either scenario, and spatially resolved optical imaging, spectroscopy, radio or X-ray follow-up are needed to draw firm conclusions.

  11. Health Monitoring for Reliability Testing of Metallic Sandwich Panels Using Integrated Active Sensing with Dual Actuator-Sensor Pairs and the Method of Virtual Forces to Identify Damage

    NASA Astrophysics Data System (ADS)

    Ellmer, Claudia; Adams, Douglas E.; White, Jonathan R.; Jata, Kumar

    2008-02-01

    A vibration-based health monitoring technique is implemented to detect simulated damage in a sandwich metallic honeycomb under combined acoustic and thermal loading. Two types of damage are introduced into a gamma titanium aluminide panel; simulated oxidation damage in the form of a local mass addition and simulated bolt damage with a change in bolt torque. An active sensing approach is used to measure frequency response functions between a piezo-stack actuator with force measurement and high-frequency accelerometers. The measured frequency response function matrix is then used to estimate the virtual force due to damage. Temperatures up to 300 °F and sound pressures up to 110 dB are considered. It is shown that the measurement of damage changes with combined loading. For example, temperature changes cause bolt damage to be more apparent in the virtual force due to the effects of temperature on the attachment boundary conditions and to the temperature gradient across the panel causing global bending. Similarly, acoustic loading is shown to enhance the detection of simulated mass damage due to larger motions produced on the panel.

  12. Highly sensitive detection of caspase-3 activities via a nonconjugated gold nanoparticle-quantum dot pair mediated by an inner-filter effect.

    PubMed

    Li, Jingwen; Li, Xinming; Shi, Xiujuan; He, Xuewen; Wei, Wei; Ma, Nan; Chen, Hong

    2013-10-01

    We describe here a simple fluorometric assay for the highly sensitive detection of caspase-3 activities on the basis of the inner-filter effect of gold nanoparticles (AuNPs) on CdTe quantum dots (QDs). The method takes advantage of the high molar absorptivity of the plasmon band of gold nanoparticles as well as the large absorption band shift from 520 to 680 nm upon nanoparticle aggregation. When labeled with a peptide possessing the caspase-3 cleavage sequence (DEVD), the monodispersed Au-Ps (peptide-modified AuNPs) exhibited a tendency to aggregate when exposed to caspase-3, which induced the absorption band transition from 520 to 680 nm and turned on the fluorescence of the CdTe QDs for caspase-3 sensing. Under optimum conditions, a high sensitivity towards caspase-3 was achieved with a detection limit as low as 18 pM, which was much lower than the corresponding assays based on absorbance or other approaches. Overall, we demonstrated a facile and sensitive approach for caspase-3 detection, and we expected that this method could be potentially generalized to design more fluorescent assays for sensing other bioactive entities. PMID:24015837

  13. Correlating size and composition-dependent effects with magnetic, Mössbauer, and pair distribution function measurements in a family of catalytically active ferrite nanoparticles

    DOE PAGESBeta

    Wong, Stanislaus; Papaefthymiou, Georgia C.; Lewis, Crystal S.; Han, Jinkyu; Zhang, Cheng; Li, Qiang; Shi, Chenyang; Abeykoon, A. M.Milinda; Billinge, Simon J.L.; Stach, Eric; et al

    2015-05-06

    The magnetic spinel ferrites, MFe₂O₄ (wherein 'M' = a divalent metal ion such as but not limited to Mn, Co, Zn, and Ni), represent a unique class of magnetic materials in which the rational introduction of different 'M's can yield correspondingly unique and interesting magnetic behaviors. Herein we present a generalized hydrothermal method for the synthesis of single-crystalline ferrite nanoparticles with 'M' = Mg, Fe, Co, Ni, Cu, and Zn, respectively, which can be systematically and efficaciously produced simply by changing the metal precursor. Our protocol can moreover lead to reproducible size control by judicious selection of various surfactants. Asmore » such, we have probed the effects of both (i) size and (ii) chemical composition upon the magnetic properties of these nanomaterials using complementary magnetometry and Mössbauer spectroscopy techniques. The structure of the samples was confirmed by atomic PDF analysis of X-ray and electron powder diffraction data as a function of particle size. These materials retain the bulk spinel structure to the smallest size (i.e., 3 nm). In addition, we have explored the catalytic potential of our ferrites as both (a) magnetically recoverable photocatalysts and (b) biological catalysts, and noted that many of our as-prepared ferrite systems evinced intrinsically higher activities as compared with their iron oxide analogues.« less

  14. Correlating size and composition-dependent effects with magnetic, Mössbauer, and pair distribution function measurements in a family of catalytically active ferrite nanoparticles

    SciTech Connect

    Wong, Stanislaus; Papaefthymiou, Georgia C.; Lewis, Crystal S.; Han, Jinkyu; Zhang, Cheng; Li, Qiang; Shi, Chenyang; Abeykoon, A. M.Milinda; Billinge, Simon J.L.; Stach, Eric; Thomas, Justin; Guerrero, Kevin; Munayco, Pablo; Munayco, Jimmy; Scorzelli, Rosa B.; Burnham, Philip; Viescas, Arthur J; Tiano, Amanda L.

    2015-05-06

    The magnetic spinel ferrites, MFe₂O₄ (wherein 'M' = a divalent metal ion such as but not limited to Mn, Co, Zn, and Ni), represent a unique class of magnetic materials in which the rational introduction of different 'M's can yield correspondingly unique and interesting magnetic behaviors. Herein we present a generalized hydrothermal method for the synthesis of single-crystalline ferrite nanoparticles with 'M' = Mg, Fe, Co, Ni, Cu, and Zn, respectively, which can be systematically and efficaciously produced simply by changing the metal precursor. Our protocol can moreover lead to reproducible size control by judicious selection of various surfactants. As such, we have probed the effects of both (i) size and (ii) chemical composition upon the magnetic properties of these nanomaterials using complementary magnetometry and Mössbauer spectroscopy techniques. The structure of the samples was confirmed by atomic PDF analysis of X-ray and electron powder diffraction data as a function of particle size. These materials retain the bulk spinel structure to the smallest size (i.e., 3 nm). In addition, we have explored the catalytic potential of our ferrites as both (a) magnetically recoverable photocatalysts and (b) biological catalysts, and noted that many of our as-prepared ferrite systems evinced intrinsically higher activities as compared with their iron oxide analogues.

  15. Controversies in kidney paired donation.

    PubMed

    Gentry, Sommer E; Montgomery, Robert A; Segev, Dorry L

    2012-07-01

    Kidney paired donation represented 10% of living kidney donation in the United States in 2011. National registries around the world and several separate registries in the United States arrange paired donations, although with significant variations in their practices. Concerns about ethical considerations, clinical advisability, and the quantitative effectiveness of these approaches in paired donation result in these variations. For instance, although donor travel can be burdensome and might discourage paired donation, it was nearly universal until convincing analysis showed that living donor kidneys can sustain many hours of cold ischemia time without adverse consequences. Opinions also differ about whether the last donor in a chain of paired donation transplants initiated by a nondirected donor should donate immediately to someone on the deceased donor wait-list (a domino or closed chain) or should be asked to wait some length of time and donate to start another sequence of paired donations later (an open chain); some argue that asking the donor to donate later may be coercive, and others focus on balancing the probability that the waiting donor withdraws versus the number of additional transplants if the chain can be continued. Other controversies in paired donation include simultaneous versus nonsimultaneous donor operations, whether to enroll compatible pairs, and interactions with desensitization protocols. Efforts to expand public awareness of and participation in paired donation are needed to generate more transplant opportunities. PMID:22732046

  16. Pairs of promoter pairs in a web of transcription.

    PubMed

    Kaplan, Craig D

    2016-08-30

    A new analysis has characterized a fundamental building block of complex transcribed loci. Constellations of core promoters can generally be reduced to pairs of divergent transcription units, where the distance between the pairs of transcription units correlates with constraints on genomic context, which in turn contribute to transcript fate. PMID:27573684

  17. Pair Programming: Issues and Challenges

    NASA Astrophysics Data System (ADS)

    Lui, Kim Man; Barnes, Kyle Atikus; Chan, Keith C. C.

    Pair programming, two programmers collaborating on design, coding and testing, has been a controversial focus of interest as Agile Software Development continues to grow in popularity both among academics and practitioners. As a result of the many investigations into the effectiveness of pair programming in the last decade, many have come to realize that there are many hard-to-control factors in pair programming in particular and in empirical software engineering in general. Because of these factors, the results of many pair programming experiments are not easy to replicate and the relative productivity of pair and solo programming are still not fully understood. So far, it has been concluded by previous studies that pair programming productivity can vary, but few have shown how and why this is the case. In this chapter, we discuss a number of challenging factors in the adoption of pair programming and present an approach to deal with them. We discuss how different factors may affect our experimental outcomes and improve experiment design to reveal how and why pair programming can be made productive, at least, in controlled situations.

  18. Assessment Strategies for Pair Programming

    ERIC Educational Resources Information Center

    Hahn, Jan Hendrik; Mentz, Elsa; Meyer, Lukas

    2009-01-01

    Although pair programming has proved its usefulness in teaching and learning programming skills, it is difficult to assess the individual roles and abilities of students whilst programming in pairs. (Note that within this manuscript, the term assessment refers to evaluating individual student performance.) Assessing only the outcomes of a pair…

  19. Property (RD) for Hecke Pairs

    NASA Astrophysics Data System (ADS)

    Shirbisheh, Vahid

    2012-06-01

    As the first step towards developing noncommutative geometry over Hecke C ∗-algebras, we study property (RD) (Rapid Decay) for Hecke pairs. When the subgroup H in a Hecke pair ( G, H) is finite, we show that the Hecke pair ( G, H) has (RD) if and only if G has (RD). This provides us with a family of examples of Hecke pairs with property (RD). We also adapt Paul Jolissant's works in Jolissaint (J K-Theory 2:723-735, 1989; Trans Amer Math Soc 317(1):167-196, 1990) to the setting of Hecke C ∗-algebras and show that when a Hecke pair ( G, H) has property (RD), the algebra of rapidly decreasing functions on the set of double cosets is closed under holomorphic functional calculus of the associated (reduced) Hecke C ∗-algebra. Hence they have the same K 0-groups.

  20. Communication: Improved pair approximations in local coupled-cluster methods

    SciTech Connect

    Schwilk, Max; Werner, Hans-Joachim; Usvyat, Denis

    2015-03-28

    In local coupled cluster treatments the electron pairs can be classified according to the magnitude of their energy contributions or distances into strong, close, weak, and distant pairs. Different approximations are introduced for the latter three classes. In this communication, an improved simplified treatment of close and weak pairs is proposed, which is based on long-range cancellations of individually slowly decaying contributions in the amplitude equations. Benchmark calculations for correlation, reaction, and activation energies demonstrate that these approximations work extremely well, while pair approximations based on local second-order Møller-Plesset theory can lead to errors that are 1-2 orders of magnitude larger.

  1. Stereo Pair: Patagonia, Argentina

    NASA Technical Reports Server (NTRS)

    2000-01-01

    This view of northern Patagonia, near El Cain, Argentina shows complexly eroded volcanic terrain, with basalt mesas, sinkholes, landslide debris, playas, and relatively few integrated drainage channels. Surrounding this site (but also extending far to the east) is a broad plateau capped by basalt, the Meseta de Somuncura. Here, near the western edge of the plateau, erosion has broken through the basalt cap in a variety of ways. On the mesas, water-filled sinkholes (lower left) are most likely the result of the collapse of old lava tubes. Along the edges of the mesas (several locations) the basalt seems to be sliding away from the plateau in a series of slices. Water erosion by overland flow is also evident, particularly in canyons where vegetation blankets the drainage channels (green patterns, bottom of image). However, overland water flow does not extend very far at any location. This entire site drains to local playas, some of which are seen here (blue). While the water can reach the playas and then evaporate, what becomes of the eroded rock debris? Wind might excavate some of the finer eroded debris, but the fate of much of the missing bedrock remains mysterious.

    This cross-eyed stereoscopic image pair was generated using topographic data from the Shuttle Radar Topography Mission, combined with an enhanced Landsat 7 satellite color image. The topography data are used to create two differing perspectives of a single image, one perspective for each eye. In doing so, each point in the image is shifted slightly, depending on its elevation. When stereoscopically merged, the result is a vertically exaggerated view of the Earth's surface in its full three dimensions.

    Landsat satellites have provided visible light and infrared images of the Earth continuously since 1972. SRTM topographic data match the 30-meter (99-foot) spatial resolution of most Landsat images and provide a valuable complement for studying the historic and growing Landsat data archive. The

  2. Discrimination of Active and Weakly Active Human BACE1 Inhibitors Using Self-Organizing Map and Support Vector Machine.

    PubMed

    Li, Hang; Wang, Maolin; Gong, Ya-Nan; Yan, Aixia

    2016-01-01

    β-secretase (BACE1) is an aspartyl protease, which is considered as a novel vital target in Alzheimer`s disease therapy. We collected a data set of 294 BACE1 inhibitors, and built six classification models to discriminate active and weakly active inhibitors using Kohonen's Self-Organizing Map (SOM) method and Support Vector Machine (SVM) method. Each molecular descriptor was calculated using the program ADRIANA.Code. We adopted two different methods: random method and Self-Organizing Map method, for training/test set split. The descriptors were selected by F-score and stepwise linear regression analysis. The best SVM model Model2C has a good prediction performance on test set with prediction accuracy, sensitivity (SE), specificity (SP) and Matthews correlation coefficient (MCC) of 89.02%, 90%, 88%, 0.78, respectively. Model 1A is the best SOM model, whose accuracy and MCC of the test set were 94.57% and 0.98, respectively. The lone pair electronegativity and polarizability related descriptors importantly contributed to bioactivity of BACE1 inhibitor. The Extended-Connectivity Finger-Prints_4 (ECFP_4) analysis found some vitally key substructural features, which could be helpful for further drug design research. The SOM and SVM models built in this study can be obtained from the authors by email or other contacts. PMID:27141991

  3. Pairing Properties of Superheavy Nuclei

    SciTech Connect

    Staszczak, A.; Dobaczewski, J.; Nazarewicz, Witold

    2007-01-01

    Pairing properties of even-even superheavy N=184 isotones are studied within the Skyrme-Hartree-Fock+BCS approach. In the particle-hole channel we take the Skyrme energy density functional SLy4, while in the particle-particle channel we employ the seniority pairing force and zero-range delta-interactions with different forms of density dependence. We conclude that the calculated static fission trajectories weakly depend on the specific form of the delta-pairing interaction. We also investigate the impact of triaxiality on the inner fission barrier and find a rather strong Z dependence of the effect.

  4. Pairing Correlations at High Spins

    NASA Astrophysics Data System (ADS)

    Ma, Hai-Liang; Dong, Bao-Guo; Zhang, Yan; Fan, Ping; Yuan, Da-Qing; Zhu, Shen-Yun; Zhang, Huan-Qiao; Petrache, C. M.; Ragnarsson, I.; Carlsson, B. G.

    The pairing correcting energies at high spins in 161Lu and 138Nd are studied by comparing the results of the cranked-Nilsson-Strutinsky (CNS) and cranked-Nilsson-Strutinsky-Bogoliubov (CNSB) models. It is concluded that the Coriolis effect rather than the rotational alignment effect plays a major role in the reduction of the pairing correlations in the high spin region. Then we proposed an average pairing correction method which not only better reproduces the experimental data comparing with the CNS model but also enables a clean-cut tracing of the configurations thus the full-spin-range discussion on the various rotating bands.

  5. Paired and interacting galaxies: Conference summary

    NASA Technical Reports Server (NTRS)

    Norman, Colin A.

    1990-01-01

    The author gives a summary of the conference proceedings. The conference began with the presentation of the basic data sets on pairs, groups, and interacting galaxies with the latter being further discussed with respect to both global properties and properties of the galactic nuclei. Then followed the theory, modelling and interpretation using analytic techniques, simulations and general modelling for spirals and ellipticals, starbursts and active galactic nuclei. Before the conference the author wrote down the three questions concerning pairs, groups and interacting galaxies that he hoped would be answered at the meeting: (1) How do they form, including the role of initial conditions, the importance of subclustering, the evolution of groups to compact groups, and the fate of compact groups; (2) How do they evolve, including issues such as relevant timescales, the role of halos and the problem of overmerging, the triggering and enhancement of star formation and activity in the galactic nuclei, and the relative importance of dwarf versus giant encounters; and (3) Are they important, including the frequency of pairs and interactions, whether merging and interactions are very important aspects of the life of a normal galaxy at formation, during its evolution, in forming bars, shells, rings, bulges, etc., and in the formation and evolution of active galaxies? Where possible he focuses on these three central issues in the summary.

  6. Pairing in hot rotating nuclei

    SciTech Connect

    Hung, N. Quang; Dang, N. Dinh

    2008-12-15

    Nuclear pairing properties are studied within an approach that includes the quasiparticle-number fluctuation (QNF) and coupling to the quasiparticle-pair vibrations at finite temperature and angular momentum. The formalism is developed to describe noncollective rotations about the symmetry axis. The numerical calculations are performed within a doubly folded equidistant multilevel model as well as several realistic nuclei. The results obtained for the pairing gap, total energy, and heat capacity show that the QNF smoothes out the sharp SN phase transition and leads to the appearance of a thermally assisted pairing gap in rotating nuclei at finite temperature. The corrections due to the dynamic coupling to SCQRPA vibrations and particle-number projection are analyzed. The effect of backbending of the momentum of inertia as a function of squared angular velocity is also discussed.

  7. Dynamical interactions of galaxy pairs

    NASA Technical Reports Server (NTRS)

    Athanassoula, E.

    1990-01-01

    Here the author briefly reviews the dynamics of sinking satellites and the effect of companions on elliptical galaxies. The author then discusses recent work on interacting disk systems, and finally focuses on a favorite interacting pair, NGC 5194/5195.

  8. Examining Rare and Low-Frequency Genetic Variants Previously Associated with Lone or Familial Forms of Atrial Fibrillation in an Electronic Medical Record System: A Cautionary Note

    PubMed Central

    Weeke, Peter; Denny, Joshua C.; Basterache, Lisa; Shaffer, Christian; Bowton, Erica; Ingram, Christie; Darbar, Dawood; Roden, Dan M.

    2014-01-01

    Background Studies in individuals or small kindreds have implicated rare variants in 25 different genes in lone and familial atrial fibrillation (AF) using linkage and segregation analysis, functional characterization, and rarity in public databases. Here we used a cohort of 20,204 patients of European or African ancestry with electronic medical records (EMRs) and exome chip data to compare the frequency of AF among carriers and non-carriers of these rare variants. Methods and Results The exome chip included 19/115 rare variants, in 9 genes, previously associated with lone or familial AF. Using validated algorithms querying a combination of clinical notes, structured billing codes, ECG reports, and procedure codes, we identified 1,056 AF cases (>18 years) and 19,148 non-AF controls (>50 years) with available genotype data on the Illumina HumanExome BeadChip v.1.0 in the Vanderbilt electronic medical record-linked DNA repository, BioVU. Known correlations between AF and common variants at 4q25 were replicated. None of the 19 variants previously associated with AF were overrepresented among AF cases (P >0.1 for all), and the frequency of variant carriers among non-AF controls was >0.1% for 14/19. Repeat analyses using non-AF controls aged >60 (n=14,904) >70 (n=9,670), and >80 (n=4,729) years old did not influence these findings. Conclusions Rare variants previously implicated in lone or familial forms AF present on the exome chip are detected at low frequencies in a general population but are not associated with AF. These findings emphasize the need for caution when ascribing variants as pathogenic or causative. PMID:25410959

  9. A Phase III, Randomized, Multi-Center, Double-Masked, Matched-Pairs, Active-Controlled Trial to Compare the Efficacy and Safety between Neuramis Deep and Restylane in the Correction of Nasolabial Folds

    PubMed Central

    Pak, Changsik; Park, Jihoon; Hong, Jinmyung; Jeong, Jaehoon; Bang, Saik

    2015-01-01

    Background We conducted this clinical study to compare the efficacy and safety between Neuramis Deep and Restylane in the correction of nasolabial folds. Methods In this phase III, randomized, multi-center, double-masked, matched-pairs, active-controlled trial (ClinicalTrials.gov Identifier: NCT01585220), we evaluated a total of 67 subjects (n=67). All the subjects underwent Neuramis Deep treatment on one side and Restylane on the contralateral side of the bilateral nasolabial folds at a ratio of 1:1. To compare the efficacy of Neuramis Deep and Restylane, we evaluated the Wrinkle Severity Rating Scale scores and those of the Global Aesthetic Improvement Scale. In addition, we compared the safety of Neuramis Deep and Restylane based on adverse events, physical examination, and clinical laboratory tests. Results Neuramis Deep was not inferior in improving the nasolabial folds as compared with Restylane. In addition, there was no significant difference in the efficacy between Neuramis Deep and Restylane. There were no significant differences in safety parameters between Neuramis Deep and Restylane. Conclusions In conclusion, our results indicate that Neuramis Deep may be a safe, effective material for improving the nasolabial folds. However, further studies are warranted to compare the tolerability of Neuramis Deep and Restylane based on histopathologic findings. PMID:26618119

  10. Intramolecular competition between n-pair and π-pair hydrogen bonding: Microwave spectrum and internal dynamics of the pyridine-acetylene hydrogen-bonded complex.

    PubMed

    Mackenzie, Rebecca B; Dewberry, Christopher T; Coulston, Emma; Cole, George C; Legon, Anthony C; Tew, David P; Leopold, Kenneth R

    2015-09-14

    a-type rotational spectra of the hydrogen-bonded complex formed from pyridine and acetylene are reported. Rotational and (14)N hyperfine constants indicate that the complex is planar with an acetylenic hydrogen directed toward the nitrogen. However, unlike the complexes of pyridine with HCl and HBr, the acetylene moiety in HCCH-NC5H5 does not lie along the symmetry axis of the nitrogen lone pair, but rather, forms an average angle of 46° with the C2 axis of the pyridine. The a-type spectra of HCCH-NC5H5 and DCCD-NC5H5 are doubled, suggesting the existence of a low lying pair of tunneling states. This doubling persists in the spectra of HCCD-NC5H5, DCCH-NC5H5, indicating that the underlying motion does not involve interchange of the two hydrogens of the acetylene. Single (13)C substitution in either the ortho- or meta-position of the pyridine eliminates the doubling and gives rise to separate sets of spectra that are well predicted by a bent geometry with the (13)C on either the same side ("inner") or the opposite side ("outer") as the acetylene. High level ab initio calculations are presented which indicate a binding energy of 1.2 kcal/mol and a potential energy barrier of 44 cm(-1) in the C2v configuration. Taken together, these results reveal a complex with a bent hydrogen bond and large amplitude rocking of the acetylene moiety. It is likely that the bent equilibrium structure arises from a competition between a weak hydrogen bond to the nitrogen (an n-pair hydrogen bond) and a secondary interaction between the ortho-hydrogens of the pyridine and the π electron density of the acetylene. PMID:26374037

  11. Spilt milk: an inter-sectoral partnership that failed to advance milk security for low-income lone mothers in Nova Scotia, Canada.

    PubMed

    McIntyre, Lynn; Glanville, N Theresa; Hilchie-Pye, Andrea

    2011-03-01

    Canadian agricultural policy supports higher milk prices. Consequently, poor families lack sufficient funds to purchase adequate quantities of milk. Low-income lone mothers in the Canadian province of Nova Scotia suggested their preferred strategies for improved access to milk. We then built inter-sectoral support for a policy intervention to address their recommendations. Our research-to-action process led to a policy dialogue focusing on an electronic smart card that would permit the delivery of lower-priced milk to poor households. While all agreed that milk insecurity was an important issue, the project ultimately failed because of the entrenched positions of influential stakeholder groups. PMID:21721295

  12. Speciation of As(III) and As(V) in water and sediment using reverse-phase ion-pair high-performance liquid chromatography-neutron activation analysis (HPLC-NAA).

    PubMed

    Tulasi, Delali; Adotey, Dennis; Affum, Andrews; Carboo, Derick; Serfor-Armah, Yaw

    2013-10-01

    Total As content and the As species distribution in water and sediments from the Kwabrafo stream, a major water body draining the Obuasi gold mining community in southwestern Ghana, have been investigated. Total As content was determined by instrumental neutron activation analysis (INAA). Ion-pair reverse phase high-performance liquid chromatography-neutron activation analysis (HPLC-NAA) was used for speciation of As species. Solid phase extraction with phosphate buffer was used to extract soluble As species from lyophilized sediment. The mass balance after phosphate extraction of soluble As species in sediment varied from 89 to 96 %. Compositionally appropriate reference material International Atomic Energy Agency (IAEA)-Lake Sediment (SL)-1 was used to check the validity of INAA method for total As determination. The measured values are in good agreement with the IAEA recommended value and also within the 95 % confidence interval. The accuracy of the measurement in terms of relative deviation from the IAEA recommended value was ±0.83 %. "In-house" prepared As(III) and As(V) standards were used to validate the HPLC-INAA method used for the As species determination. Total As concentration in the water samples ranged from 1.15 to 9.20 mg/L. As(III) species in water varied from 0.13 to 0.7 mg/L, while As(V) species varied from 0.79 to 3.85 mg/L. Total As content in sediment ranged from 2,134 to 3,596 mg/kg dry mass. The levels of As(III) and As(V) species in the sediment ranges from 138 to 506 mg/kg dry mass and 156 to 385 mg/kg dry mass, respectively. PMID:23494192

  13. Why so many unknown genes? Partitioning orphans from a representative transcriptome of the lone star tick Amblyomma americanum

    PubMed Central

    2013-01-01

    Background Genomic resources within the phylum Arthropoda are largely limited to the true insects but are beginning to include unexplored subphyla, such as the Crustacea and Chelicerata. Investigations of these understudied taxa uncover high frequencies of orphan genes, which lack detectable sequence homology to genes in pre-existing databases. The ticks (Acari: Chelicerata) are one such understudied taxon for which genomic resources are urgently needed. Ticks are obligate blood-feeders that vector major diseases of humans, domesticated animals, and wildlife. In analyzing a transcriptome of the lone star tick Amblyomma americanum, one of the most abundant disease vectors in the United States, we find a high representation of unannotated sequences. We apply a general framework for quantifying the origin and true representation of unannotated sequences in a dataset and for evaluating the biological significance of orphan genes. Results Expressed sequence tags (ESTs) were derived from different life stages and populations of A. americanum and combined with ESTs available from GenBank to produce 14,310 ESTs, over twice the number previously available. The vast majority (71%) has no sequence homology to proteins archived in UniProtKB. We show that poor sequence or assembly quality is not a major contributor to this high representation by orphan genes. Moreover, most unannotated sequences are functional: a microarray experiment demonstrates that 59% of functional ESTs are unannotated. Lastly, we attempt to further annotate our EST dataset using genomic datasets from other members of the Acari, including Ixodes scapularis, four other tick species and the mite Tetranychus urticae. We find low homology with these species, consistent with significant divergence within this subclass. Conclusions We conclude that the abundance of orphan genes in A. americanum likely results from 1) taxonomic isolation stemming from divergence within the tick lineage and limited genomic

  14. Satellite observations of transionospheric pulse pairs

    SciTech Connect

    Holden, D.N.; Munson, C.P.; Devenport, J.C.

    1995-04-15

    The BLACKBEARD payload aboard the ALEXIS satellite has been making broadband observations in the VHF band of the radio spectrum. Since November of 1993 several hundred unusual signals have been recorded. The peculiar nature of these bursts of radio noise is that they have a duration of approximately 10 {mu}sec, are typically 20 to 40 dB brighter than the average background, and occur in pairs separated by approximately 50 {mu}sec. The authors have dubbed these emissions TransIonospheric Pulse Pairs, or TIPP events. They do not know what the source of these emissions is, but the dispersion of these signals is consistent with an origin at or near the earth`s surface. The satellite field of view and time of day when TIPP events are generally detected are consistent with regions of thunderstorm activity such as south-central Africa or Indonesia. 4 refs., 5 figs.

  15. Pair extended coupled cluster doubles

    SciTech Connect

    Henderson, Thomas M.; Scuseria, Gustavo E.; Bulik, Ireneusz W.

    2015-06-07

    The accurate and efficient description of strongly correlated systems remains an important challenge for computational methods. Doubly occupied configuration interaction (DOCI), in which all electrons are paired and no correlations which break these pairs are permitted, can in many cases provide an accurate account of strong correlations, albeit at combinatorial computational cost. Recently, there has been significant interest in a method we refer to as pair coupled cluster doubles (pCCD), a variant of coupled cluster doubles in which the electrons are paired. This is simply because pCCD provides energies nearly identical to those of DOCI, but at mean-field computational cost (disregarding the cost of the two-electron integral transformation). Here, we introduce the more complete pair extended coupled cluster doubles (pECCD) approach which, like pCCD, has mean-field cost and reproduces DOCI energetically. We show that unlike pCCD, pECCD also reproduces the DOCI wave function with high accuracy. Moreover, pECCD yields sensible albeit inexact results even for attractive interactions where pCCD breaks down.

  16. Mass of Galaxies in Pairs

    NASA Astrophysics Data System (ADS)

    Junqueira, S.; Chan, R.

    We have compared the frequency distribution of the dynamical observed quantity log (V r), for a sample of 46 pairs of elliptical galaxies, to the distribution of this quantity obtained from numerical simulations of pairs of galaxies. From such an analysis, where we have considered the structure of the galaxies and its influence in the orbital evolution of the system, we have obtained the characteristic mass and the mass-luminosity ratio for the sample. Our results show that the hypothesis of point-mass in elliptical orbits is, for this sample, an approximation as good as the model that takes into account the structure of the galaxies. The statistical method used here gives an estimate of a more reliable mass, it minimizes the contamination of spurious pairs and it considers adequately the contribution of the physical pairs. We have obtained a characteristic mass to the 46 elliptical pairs of 1.68 × 10^12 +/- 7.01 × 10^11 M_solar with M/L = 17.6 +/- 7.3 (H_0 = 60 km s^-1 Mpc^-1).

  17. Lone Star Literacy

    ERIC Educational Resources Information Center

    Brown, Justine

    2006-01-01

    Texas has combined innovative uses of technology, an effective communications strategy, and a multitiered approach, and enjoyed great success in its execution of Reading First. In fact, some education leaders now view Texas as a model for other states to adhere to in their own implementation of the program. In this article, the author describes…

  18. Lonely at the Top?

    ERIC Educational Resources Information Center

    Valdata, Patricia

    2006-01-01

    College or university presidents (or chancellors, depending on the institution) get paid the big bucks to worry about the big picture: capital campaigns, attracting and retaining students, creating and sustaining quality academic programs, shared governance. It's a demanding job even when everything goes well, but when problems arise, challenges…

  19. Stereo pairs from linear morphing

    NASA Astrophysics Data System (ADS)

    McAllister, David F.

    1998-04-01

    Several authors have recently investigated the ability to compute intermediate views of a scene using given 2D images from arbitrary camera positions. The methods fall under the topic of image based rendering. In the case we give here, linear morphing between two parallel views of a scene produces intermediate views that would have been produced by parallel movement of a camera. Hence, the technique produces images computed in a way that is consistent with the standard off-axis perspective projection method for computing stereo pairs. Using available commercial 2D morphing software, linear morphing can be used to produce stereo pairs from a single image with bilateral symmetry such as a human face. In our case, the second image is produced by horizontal reflection. We describe morphing and show how it can be used to provide stereo pairs from single images.

  20. Pair-Starved Pulsar Magnetospheres

    NASA Technical Reports Server (NTRS)

    Muslimov, Alex G.; Harding, Alice K.

    2009-01-01

    We propose a simple analytic model for the innermost (within the light cylinder of canonical radius, approx. c/Omega) structure of open-magnetic-field lines of a rotating neutron star (NS) with relativistic outflow of charged particles (electrons/positrons) and arbitrary angle between the NS spin and magnetic axes. We present the self-consistent solution of Maxwell's equations for the magnetic field and electric current in the pair-starved regime where the density of electron-positron plasma generated above the pulsar polar cap is not sufficient to completely screen the accelerating electric field and thus establish thee E . B = 0 condition above the pair-formation front up to the very high altitudes within the light cylinder. The proposed mode1 may provide a theoretical framework for developing the refined model of the global pair-starved pulsar magnetosphere.

  1. Pairing effects in nuclear dynamic

    NASA Astrophysics Data System (ADS)

    Lacroix, Denis; Scamps, Guillaume; Tanimura, Yusuke

    2016-05-01

    In recent years, efforts have been made to account for super-fluidity in time-dependent mean-field description of nuclear dynamic [1-5]. Inclusion of pairing is important to achieve a realistic description of static properties of nuclei. Here,we show that pairing can also affect the nuclear motion. State of the art TDHF approach can describe from small to large amplitude collective motion as well as the collision between nuclei. Very recently, this microscopic approach has been improved to include pairing either in the BCS or HFB framework. Recent applications of the 3D TDHF + BCS (TDHF+BCS) model introduced in [4] will be presented. The role of super-fluidity on collective motion [6, 7], on one- and two-particle transfer [8] and on fission [9, 10] will be illustrated.

  2. C. Y. Chao, Pair Creation and Pair Annihilation

    NASA Astrophysics Data System (ADS)

    Li, Bing An; Yang, C. N.

    C. Y. Chao's contribution to physicists' acceptance of QED in 1933-1934 through his experiments of 1930 is analyzed. It is pointed out that Blackett and Occhialini's key suggestion of 1933 about hole theory was based on identifying Chao's "additional scattered rays" (1930) as due to pair annihilation.

  3. C. Y. Chao, Pair Creation and Pair Annihilation

    NASA Astrophysics Data System (ADS)

    Li, Bing An; Yang, C. N.

    2013-05-01

    C. Y. Chao's contribution to physicists' acceptance of QED in 1933-1934 through his experiments of 1930 is analyzed. It is pointed out that Blackett and Occhialini's key suggestion of 1933 about hole theory was based on identifying Chao's "additional scattered rays" (1930) as due to pair annihilation.

  4. The proton complex of a diaza-macropentacycle: structure, slow formation, and chirality induction by ion pairing with the optically active 1,1'-binaphthyl-2,2'-diyl phosphate anion.

    PubMed

    Bonnot, Clément; Chambron, Jean-Claude; Espinosa, Enrique; Bernauer, Klaus; Scholten, Ulrich; Graff, Roland

    2008-10-17

    The protonation of a sterically crowded [N2S6] macropentacycle (1) with 1 equiv of CF3SO3H in CDCl3 is slow and gives the singly (oo(+) [1 x H](+)) and doubly (o(+)o(+) [1 x 2H](2+)) protonated forms as kinetic products, the i(+)o form of [1 x H](+) being the thermodynamic product. i(+)o [1 x H](+) is C3 helically chiral in the solid state and in solution. The barrier to racemization (DeltaG(double dagger)) of the [1 x H](+) propeller is >71 kJ mol(-1). The ammonium proton is encapsulated in the tetrahedral coordination sphere provided by the endo (i) nitrogen bridgehead atom and the three proximal thioether sulfurs, which makes [1 x H](+) a proton complex. Use of the optically active acid (R)-(-)- or (S)-(+)-1,1'-binaphthyl-2,2'-diyl hydrogen phosphate (BNPH) in chloroform allowed us to induce a significant diastereomeric excess (24% de), which produced a detectable ICD. The de was decreased in acetone-d6 (10%), suggesting that the sense of chirality of [1 x H](+) is controlled by ion-pair interactions. Detailed NMR studies allowed us to locate the chiral anion on the endo side of [1 x H](+), in the cavity lined by endo t-Bu groups, and to establish that the rate of anion exchange in [1 x H][(S,R)-(+/-)-BNP] was higher than the rate of propeller inversion of [1 x H](+). PMID:18811199

  5. Invisibly Sanitizable Signature without Pairings

    NASA Astrophysics Data System (ADS)

    Yum, Dae Hyun; Lee, Pil Joong

    Sanitizable signatures allow sanitizers to delete some pre-determined parts of a signed document without invalidating the signature. While ordinary sanitizable signatures allow verifiers to know how many subdocuments have been sanitized, invisibly sanitizable signatures do not leave any clue to the sanitized subdocuments; verifiers do not know whether or not sanitizing has been performed. Previous invisibly sanitizable signature scheme was constructed based on aggregate signature with pairings. In this article, we present the first invisibly sanitizable signature without using pairings. Our proposed scheme is secure under the RSA assumption.

  6. Nucleon pairing in Sn isotopes

    NASA Astrophysics Data System (ADS)

    Imasheva, L.; Ishkhanov, B.; Stepanov, M.; Tretyakova, T.

    2016-01-01

    The systematics of excited states in Sn isotopes are discussed on basis of pairing interaction in nuclei. Nucleon paring leads to formation of excited states multiplets. The estimation of multiplet splitting based on experimental nuclear masses allows one to calculate the position of excited states with different seniority in δ-approximation. The wide systematics of the spectra of Sn isotopes gives a possibility to check the pairing interaction for different subshells and consider the multiplets of excited states in the neutron-rich isotopes far from stability.

  7. Orbiting pairs of walking droplets

    NASA Astrophysics Data System (ADS)

    Siefert, Emmanuel; Bush, John W. M.; Oza, Anand

    2015-11-01

    Droplets may self-propel on the surface of a vibrating fluid bath, pushed forward by their own Faraday pilot-wave field. We present the results of a combined experimental and theoretical investigation of the interaction of pairs of such droplets. Particular attention is given to characterizing the system's dependence on the vibrational forcing of the bath and the impact parameter of the walking droplets. Observed criteria for the capture and stability of orbital pairs are rationalized by accompanying theoretical developments. Thanks to the NSF.

  8. Infrared spectrum of the Ag(+)-(pyridine)2 ionic complex: probing interactions in artificial metal-mediated base pairing.

    PubMed

    Chakraborty, Shamik; Dopfer, Otto

    2011-07-11

    The isolated pyridine-Ag(+)-pyridine unit (Py-Ag(+)-Py) is employed as a model system to characterize the recently observed Ag(+)-mediated base pairing in DNA oligonucleotides at the molecular level. The structure and infrared (IR) spectrum of the Ag(+)-Py(2) cationic complex are investigated in the gas phase by IR multiple-photon dissociation (IRMPD) spectroscopy and quantum chemical calculations to determine the preferred metal-ion binding site and other salient properties of the potential-energy surface. The IRMPD spectrum has been obtained in the 840-1720 cm(-1) fingerprint region by coupling the IR free electron laser at the Centre Laser Infrarouge d'Orsay (CLIO) with a Fourier-transform ion cyclotron resonance (FT-ICR) mass spectrometer equipped with an electrospray ionization source. The spectroscopic results are interpreted with quantum chemical calculations conducted at the B3LYP/aug-cc-pVDZ level. The analysis of the IRMPD spectrum is consistent with a σ complex, in which the Ag(+) ion binds to the nitrogen lone pairs of the two Py ligands in a linear configuration. The binding motif of Py-Ag(+)-Py in the gas phase is the same as that observed in Ag(+)-mediated base pairing in solution. Ag(+) bonding to the π-electron system of the aromatic ring is predicted to be a substantially less-favorable binding motif. PMID:21442717

  9. Phase shifts of the paired wings of butterfly diagrams

    NASA Astrophysics Data System (ADS)

    Li, Ke-Jun; Liang, Hong-Fei; Feng, Wen

    2010-11-01

    Sunspot groups observed by the Royal Greenwich Observatory/US Air Force/NOAA from 1874 May to 2008 November and the Carte Synoptique solar filaments from 1919 March to 1989 December are used to investigate the relative phase shift of the paired wings of butterfly diagrams of sunspot and filament activities. Latitudinal migration of sunspot groups (or filaments) does asynchronously occur in the northern and southern hemispheres, and there is a relative phase shift between the paired wings of their butterfly diagrams in a cycle, making the paired wings spatially asymmetrical on the solar equator. It is inferred that hemispherical solar activity strength should evolve in a similar way within the paired wings of a butterfly diagram in a cycle, demonstrating the paired wings phenomenon and showing the phase relationship between the northern and southern hemispherical solar activity strengths, as well as a relative phase shift between the paired wings of a butterfly diagram, which should bring about almost the same relative phase shift of hemispheric solar activity strength.

  10. Persistent Ion Pairing in Aqueous Hydrochloric Acid

    SciTech Connect

    Baer, Marcel D.; Fulton, John L.; Balasubramanian, Mahalingam; Schenter, Gregory K.; Mundy, Christopher J.

    2014-07-03

    For strong acids, like hydrochloric acid, the complete dissociation into an excess proton and conjugated base as well as the formation of independent solvated charged fragments is assumed. The existence of a chloride-Hyronium (Cl-H3O+) contact ion pairs even in moderate concentration hydrochloric acid (2.5 m) demonstrates that the counter ions do not behave merely as spectators. Through the use of modern extended X-ray absorption fine structure (EXAFS) measurements in conjunction with state-of-the-art density functional theory (DFT) simulations, we are able to obtain an unprecedented view into the molecular structure of medium to high concentrated electrolytes. Here we report that the Cl-H3O+ contact ion pair structure persists throughout the entire concentration range studied and that these structures differ significantly from moieties studied in micro-solvated hydrochloric acid clusters. Characterizing distinct populations of these ion pairs gives rise to a novel molecular level description of how to think about the activity of the proton that impacts our picture of the pH scale. Funding for CJM, GKS, and JLF was provided by DOE Office of Science, Office of Basic Energy Science, Division of Chemical Sciences, Geosciences, and Biosciences. Funding for MDB was provided throught the Laboratory Directed Research and Development program at Pacific Northwest National Laboratory. MB was funded through Argonne National Laboratory.

  11. Further Analysis of a Cooper Pair Insulator

    NASA Astrophysics Data System (ADS)

    Hollen, S. M.; Nguyen, H. Q.; Stewart, M. D., Jr.; Shainline, J.; Jin, Aijun; Xu, J. M.; Valles, J. M., Jr.

    2010-03-01

    Amorphous thin films of Bi deposited on a substrate with a Nano-Honeycomb (NHC) array of holes can exhibit a Cooper Pair Insulator (CPI) phase [1]. The transport in this state is dominated by the incoherent tunneling of Cooper Pairs between localized states. The resistivity is activated in temperature, and the magnetoresistance (MR) near the thickness-tuned Superconductor-Insulator Transition (SIT) exhibits a giant peak, as is found in thin films of InOx and TiN. In an effort to learn how the localization of pairs develops, we have investigated films deposited on substrates with different hole radii, order in the hole arrays, and surface roughness. We will present our latest findings on the common features describing the CPI phase, and how the above variations influence its properties and those of the thickness-tuned SIT in these amorphous films. [1] M. D. Stewart Jr., A. Yin, J. M. Xu, and J. M. Valles Jr., Science 318, 1273 (2007).

  12. Missing energies at pair creation

    NASA Technical Reports Server (NTRS)

    El-Ela, A. A.; Bagge, E. R.; Hassan, S.

    1985-01-01

    Wilson cloud chamber measurements of the separated spectra of positrons and electrons produced by gamma quanta of 6.14 MeV differ considerably from the theoretically predicted spectra by BETHE and HEITLER, but are in good agreement with those of a modified theory of pair creation.

  13. Pairing Linguistic and Music Intelligences

    ERIC Educational Resources Information Center

    DiEdwardo, MaryAnn Pasda

    2005-01-01

    This article describes how music in the language classroom setting can be a catalyst for developing reading, writing, and understanding skills. Studies suggest that pairing music and linguistic intelligences in the college classroom improves students' grades and abilities to compose theses statements for research papers in courses that emphasize…

  14. Paired Reading: Psycholinguistics in Practice.

    ERIC Educational Resources Information Center

    Barrett, James Martin

    1987-01-01

    Contends that children need to learn phonic skills, not necessarily through early direct teaching, but through reading experience. Suggests using Paired Reading, which is validated by psycholinguistic reading theory and provides opportunities to learn to read from context and use innate syntactic and semantic knowledge. (SKC)

  15. Life Detection Using Glucose and Tetrasaccharide Enantiomer Pairs

    NASA Astrophysics Data System (ADS)

    Warmflash, David; Chu, Huanyi; Siefert, Johnathan; Fox, George E.

    2009-04-01

    A life-detection system based on the expectation that any viable organism will utilize stereoisomers of a given compound asymmetrically is examined. Aqueous extracts of common soil, Mars regolith simulant JSC Mars-1, and suspensions of E. coli and S. cerevisiae were incubated with stereoisomer pairs. The enantiomeric pairs were either D- and L-glucose or a pair of chiral tetrasaccharides. Following an incubation period of 10 days, stereoisomeric selectivity is detectable with the glucose pair by mass spectrometry in extracts made from soil at 0.5 g/ml, in extracts made from JSC Mars-1 at 2.5 g/ml, and in cell suspensions down to 1.0 × 107 cells/ml. For the tetrasaccharide pair, stereoisomeric selectivity was detected in extracts made from 0.5 g/ml or more of common soil but not in JSC Mars-1 simulant. The effective sensitivity in extracts was 2.5 × 107 cells/ml or better for the glucose pair and 5.0 × 108 cells/ml or better for the tetrasaccharide pair. The sensitivity of the glucose pair was such that it could detect life in samples that would be found to be devoid of organic matter by the GCMS system carried by the Viking landers. The results demonstrate the utility of the approach in the search for biological activity on Mars. However, sensitivity is a function of the enantiomer pair used, and this might also be different for hypothetical martian organisms. Therefore, it will be necessary to characterize additional stereoisomeric pairs and, ultimately, to include several in a single test environment.

  16. Life detection using glucose and tetrasaccharide enantiomer pairs.

    PubMed

    Warmflash, David; Chu, Huanyi; Siefert, Johnathan; Fox, George E

    2009-04-01

    A life-detection system based on the expectation that any viable organism will utilize stereoisomers of a given compound asymmetrically is examined. Aqueous extracts of common soil, Mars regolith simulant JSC Mars-1, and suspensions of E. coli and S. cerevisiae were incubated with stereoisomer pairs. The enantiomeric pairs were either D- and L-glucose or a pair of chiral tetrasaccharides. Following an incubation period of 10 days, stereoisomeric selectivity is detectable with the glucose pair by mass spectrometry in extracts made from soil at 0.5 g/ml, in extracts made from JSC Mars-1 at 2.5 g/ml, and in cell suspensions down to 1.0 x 10(7) cells/ml. For the tetrasaccharide pair, stereoisomeric selectivity was detected in extracts made from 0.5 g/ml or more of common soil but not in JSC Mars-1 simulant. The effective sensitivity in extracts was 2.5 x 10(7) cells/ml or better for the glucose pair and 5.0 x 10(8) cells/ml or better for the tetrasaccharide pair. The sensitivity of the glucose pair was such that it could detect life in samples that would be found to be devoid of organic matter by the GCMS system carried by the Viking landers. The results demonstrate the utility of the approach in the search for biological activity on Mars. However, sensitivity is a function of the enantiomer pair used, and this might also be different for hypothetical martian organisms. Therefore, it will be necessary to characterize additional stereoisomeric pairs and, ultimately, to include several in a single test environment. PMID:19499996

  17. Ammonia removal using activated carbons: effect of the surface chemistry in dry and moist conditions.

    PubMed

    Gonçalves, Maraisa; Sánchez-García, Laura; Oliveira Jardim, Erika de; Silvestre-Albero, Joaquín; Rodríguez-Reinoso, Francisco

    2011-12-15

    The effect of surface chemistry (nature and amount of oxygen groups) in the removal of ammonia was studied using a modified resin-based activated carbon. NH(3) breakthrough column experiments show that the modification of the original activated carbon with nitric acid, that is, the incorporation of oxygen surface groups, highly improves the adsorption behavior at room temperature. Apparently, there is a linear relationship between the total adsorption capacity and the amount of the more acidic and less stable oxygen surface groups. Similar experiments using moist air clearly show that the effect of humidity highly depends on the surface chemistry of the carbon used. Moisture highly improves the adsorption behavior for samples with a low concentration of oxygen functionalities, probably due to the preferential adsorption of ammonia via dissolution into water. On the contrary, moisture exhibits a small effect on samples with a rich surface chemistry due to the preferential adsorption pathway via Brønsted and Lewis acid centers from the carbon surface. FTIR analyses of the exhausted oxidized samples confirm both the formation of NH(4)(+) species interacting with the Brønsted acid sites, together with the presence of NH(3) species coordinated, through the lone pair electron, to Lewis acid sites on the graphene layers. PMID:22049916

  18. Asymmetric Ion-Pairing Catalysis

    PubMed Central

    Brak, Katrien

    2014-01-01

    Charged intermediates and reagents are ubiquitous in organic transformations. The interaction of these ionic species with chiral neutral, anionic, or cationic small molecules has emerged as a powerful strategy for catalytic, enantioselective synthesis. This review describes developments in the burgeoning field of asymmetric ion-pairing catalysis with an emphasis on the insights that have been gleaned into the structural and mechanistic features that contribute to high asymmetric induction. PMID:23192886

  19. A bridge between a lonely soul and the surrounding world: A study on existential consequences of being closely related to a person with aphasia

    PubMed Central

    Nyström, Maria

    2011-01-01

    This study illuminates existential consequences of being closely related to a person suffering from aphasia. Seventeen close relatives were interviewed and their narratives were interpreted with inspiration from Ricoeur, Levinas, Husserl, Winnicot, and Maurice Merleau-Ponty. The emerging interpretations resulted in four themes that illuminate a life characterized by lost freedom, staying, a new form of relationship, and growing strong together with others. An overarching theme suggests that a life together with an aphasic person means being used as a bridge between the aphasic person and the surrounding world. Moreover, it illuminates that a close relative to a person with aphasia is a person who does not leave, despite a heavy burden of lonely responsibility. It is concluded that community services need to fulfill their responsibility of providing support to informal caregivers as suggested by the Swedish lawmakers. PMID:22114621

  20. Stereo Pair: Wellington, New Zealand

    NASA Technical Reports Server (NTRS)

    2000-01-01

    Wellington, the capital city of New Zealand, is located on the shores of Port Nicholson, a natural harbor at the south end of North Island. The city was founded in 1840 by British emigrants and now has a regional population of more than 400,000 residents. As seen here, the natural terrain imposes strong control over the urban growth pattern (urban features generally appear gray or white in this view). Rugged hills generally rising to 300 meters (1,000 feet) help protect the city and harbor from strong winter winds

    New Zealand is seismically active and faults are readily seen in the topography. The Wellington Fault forms the straight northwestern (left) shoreline of the harbor. Toward the southwest (down) the fault crosses through the city, then forms linear canyons in the hills before continuing offshore at the bottom. Toward the northeast (upper right) the fault forms the sharp mountain front along the northern edge of the heavily populated Hutt Valley.

    This stereoscopic image pair was generated using topographic data from the Shuttle Radar Topography Mission, combined with an enhanced true color Landsat7 satellite image. The topography data are used to create two differing perspectives of a single image, one perspective for each eye. In doing so, each point in the image is shifted slightly, depending on its elevation. When stereoscopically merged, the result is a vertically exaggerated view of the Earth's surface in its full three dimensions.

    Landsat satellites have provided visible light and infrared images of the Earth continuously since 1972. SRTM topographic data match the 30 meter (99 foot) spatial resolution of most Landsat images and will provide a valuable complement for studying the historic and growing Landsat data archive. The Landsat 7 Thematic Mapper image used here was provided to the SRTM project by the United States Geological Survey, Earth Resources Observation Systems (EROS) data Center, Sioux Falls, South Dakota.

    Elevation data

  1. SRTM Stereo Pair: Fiji Islands

    NASA Technical Reports Server (NTRS)

    2000-01-01

    The Sovereign Democratic Republic of the Fiji Islands, commonly known as Fiji, is an independent nation consisting of some 332 islands surrounding the Koro Sea in the South Pacific Ocean. This topographic image shows Viti Levu, the largest island in the group. With an area of 10,429 square kilometers (about 4000 square miles), it comprises more than half the area of the Fiji Islands. Suva, the capital city, lies on the southeast shore. The Nakauvadra, the rugged mountain range running from north to south, has several peaks rising above 900 meters (about 3000 feet). Mount Tomanivi, in the upper center, is the highest peak at 1324 meters (4341 feet). The distinct circular feature on the north shore is the Tavua Caldera, the remnant of a large shield volcano that was active about 4 million years ago. Gold has been mined on the margin of the caldera since the 1930s. The Nadrau plateau is the low relief highland in the center of the mountain range. The coastal plains in the west, northwest and southeast account for only 15 percent of Viti Levu's area but are the main centers of agriculture and settlement.

    This stereoscopic view was generated using preliminary topographic data from the Shuttle Radar Topography Mission. A computer-generated artificial light source illuminates the elevation data from the top (north) to produce a pattern of light and shadows. Slopes facing the light appear bright, while those facing away are shaded. Also, colors show the elevation as measured by SRTM. Colors range from green at the lowest elevations to pink at the highest elevations. This image contains about 1300 meters (4300 feet) of total relief. The stereoscopic effect was created by first draping the shading and colors back over the topographic data and then generating two differing perspectives, one for each eye. The 3-D perception is achieved by viewing the left image with the right eye and the right image with the left eye (cross-eyed viewing), or by downloading and printing the

  2. Halogen bonding. The role of the polarizability of the electron-pair donor.

    PubMed

    Duarte, Darío J R; Sosa, Gladis L; Peruchena, Nélida M; Alkorta, Ibon

    2016-03-14

    The nature of F-BrX-R interactions (with X = F, Cl, Br, I and R = -H, -F) has been investigated through theoretical calculation of molecular potential electrostatic (MEP), molecular polarizability, atoms in molecules (AIM) analysis and energetic decomposition analysis (EDA). A detailed analysis of the MEPs reveals that considering only the static electrostatic interactions is not sufficient to explain the nature of these interactions. The molecular polarizabilities of X-R molecules suggest that the deformation capacity of the electronic cloud of the lone pairs of the X atom plays an important role in the stability of these complexes. The topological analysis of the L(r) = -¼∇(2)ρ(r) function and the detailed analysis of the atomic quadrupole moments reveal that the BrX interactions are electrostatic in nature. The electron acceptor Br atom causes a polarization of the electronic cloud (electronic induction) on the valence shell of the X atom. Finally, the electrostatic forces and charge transfer play an important role not only in the stabilization of the complex, but also in the determination of the molecular geometry of equilibrium. The dispersive and polarization forces do not influence the equilibrium molecular geometry. PMID:26900007

  3. A sustained release gel formulation of doramectin for control of lone star ticks (Acari: Ixodidae) and horn flies (Diptera: Muscidae) on cattle.

    PubMed

    Lohmeyer, K H; Miller, J A; Pound, J M; Klavons, J A

    2009-04-01

    A gel formulation formed by incorporating technical doramectin into a 10% hydroxypropyl methylcellulose aqueous solution was used to subcutaneously inject steers at varying dosages. Doramectin serum concentration of steers receiving 600 microg (AI)/kg body weight declined from 21.9 ppb at 0.5 wk to below detectable at 8 wk postinjection. The 1,200 microg (AI)/kg injection resulted in serum concentrations of 29.1 ppb at 0.5 wk and declined to 0.5 ppb at 8 wk postinjection. Both the 600 and 1,200 microg (AI)/kg injections provided 100% inhibition of index of fecundity (IF) in adult lone star ticks, Amblyomma americanum L. (Acari: Ixodidae) through week 8, after which inhibition declined to 79.4 and 45.3%, respectively, during the 12th week posttreatment. For steers treated at 600 microg (AI)/kg, mortality of adult horn flies, Hematobia irritans L. (Diptera: Muscidae), declined from 16.9% during week 2 to 3.1% during week 7 postinjection. The blood from steers treated at 1,200 microg (AI)/kg resulted in a similar decline in mortality of blood fed adult horn flies from 29.4% during week 1 to 4.0% during week 7. The 600 microg (AI)/kg treatment provided complete control of larval horn flies in the manure for 9 wk, whereas the 1,200 microg (AI)/kg injection gave complete control for 14 wk posttreatment. The doramectin gel formulation provided long-lasting delivery of doramectin to cattle and extended control of lone star ticks and larval horn flies. Such a simple and inexpensive formulation could be useful in tick eradication programs by reducing the frequency of gathering cattle. PMID:19449664

  4. Pair interactions in red-faced warblers

    USGS Publications Warehouse

    Barber, P.M.; Martin, T.E.; Smith, Kimberly G.

    1998-01-01

    Forty pairs of breeding Red-faced Warblers (Cardellina rubrifrons) were observed in 1992 and 1993 on the Mogollon Rim, Arizona. Intrusions by extra-pair males, interactions between pair members, and other pair interaction behaviors were recorded. The majority of intrusions occurred during the building stage of the nesting cycle. Males responded to intrusions during nest building by decreasing intra-pair distance. Males maintained shorter intra-pair distances by following the female when she initiated movements and by not initiating pair movements themselves. Intra-pair distances were as short or shorter during the incubation period as during nest building, and were shorter during incubation than during egg laying. Males continued to follow females beyond the expected fertile period. Possible explanations for continued mate following include: males guard their mates against predators, males guard their paternity for future nesting attempts, and males respond to extra-pair male intrusions, which continue during incubation.

  5. Charge Aspects of Composite Pair Superconductivity

    NASA Astrophysics Data System (ADS)

    Flint, Rebecca

    2014-03-01

    Conventional Cooper pairs form from well-defined electronic quasiparticles, making the internal structure of the pair irrelevant. However, in the 115 family of superconductors, the heavy electrons are forming as they pair and the internal pair structure becomes as important as the pairing mechanism. Conventional spin fluctuation mediated pairing cannot capture the direct transition from incoherent local moments to heavy fermion superconductivity, but the formation of composite pairs favored by the two channel Kondo effect can. These composite pairs are local d-wave pairs formed by two conduction electrons in orthogonal Kondo channels screening the same local moment. Composite pairing shares the same symmetries as magnetically mediated pairing, however, only composite pairing necessarily involves a redistribution of charge within the unit cell originating from the internal pair structure, both as a monopole (valence change) and a quadrupole effect. This redistribution will onset sharply at the superconducting transition temperature. A smoking gun test for composite pairing is therefore a sharp signature at Tc - for example, a cusp in the Mossbauer isomer shift in NpPd5Al2 or in the NQR shift in (Ce,Pu)CoIn5.

  6. Optically active P5-deltacyclenes: selective oxidation, ligand properties, and a diastereoselective rearrangement reaction.

    PubMed

    Keller, I C; Bauer, W; Heinemann, F W; Höhn, C; Rohwer, L; Zenneck, U

    2016-04-25

    Cage-chiral tetra-tert-butyl-P5-deltacyclene is accessible as a pair of highly enriched enantiomers and . The only secondary phosphorus atom P1 of the cage can be selectively oxidized by reaction with t-BuOOH. The P1-oxo species and , allow the direct determination of their ee values. Oxidation occurs with the complete retention of the optical activity of the compounds. The chiroptical properties of and are strongly dominated by their cage chirality, the oxygen atom does not contribute significantly. Elemental sulfur and selenium oxidize P5 with high preference to yield P5-thio- and P5-seleno-P5-deltacyclenes and of the intact cages again. Longer reaction time and more than stoichiometric amounts of selenium, leads to tri-seleno-P5-tetracycloundecane , a partially opened oxidized rearrangement product. The ligand properties of racemic were determined. Diphosphetane phosphorus atom P2 of is the active donor center to bind a Cr(CO)5 fragment, but a tautomerization of takes place if [(benzene)RuCl2]2 is added. A hydrogen atom migrates from P1 to the oxygen atom to form a phosphinous acid ligand. The lone pair of P1 is regenerated and acts as the active ligand function of the cage in this case. As for , the base n-BuLi induces an efficient cage rearrangement reaction of , where P1 and the neighboring carbon atom C4 containing its t-Bu substituent change places. C4 moves to its new position without breaking the bond with P5, this way forming the novel P1-oxo-P5-norsnoutene cage in a highly diastereoselective process. PMID:27055252

  7. The power of paired genomes.

    PubMed

    Gerardo, Nicole M; Wilson, Alex C C

    2011-05-01

    Species interactions are fundamental to ecology. Classic studies of competition, predation, parasitism and mutualism between macroscopic organisms have provided a foundation for the discipline, but many of the most important and intimate ecological interactions are microscopic in scale. These microscopic interactions include those occurring between eukaryotic hosts and their microbial symbionts. Such symbioses, ubiquitous in nature, provide experimental challenges because the partners often cannot live outside the symbiosis. With respect to the symbionts, this precludes utilizing classical microbiological and genetic techniques that require in vitro cultivation. Genomics, however, has rapidly changed the study of symbioses. In this issue of Molecular Ecology, MacDonald et al. (2011), coupling symbiont whole-genome sequencing, experimental studies and metabolic modelling, provide novel insights into one of the best-studied symbioses, that between aphids and their obligate, nutrient-provisioning, intracellular bacteria, Buchnera aphidicola (Fig. 1). MacDonald and colleagues assessed variation in the ability of aphid–Buchnera pairs to thrive on artificial diets missing different amino acids. As shown previously (e.g. Wilkinson & Douglas 2003), aphid–Buchnera pairs can differ in their requirements for external sources of essential amino acids. Such phenotypic variation could result from differences in Buchnera’s amino acid biosynthetic capabilities or in the ability of aphids to interact with their symbionts. Whole-genome sequencing of the Buchnera genomes from four aphid lines with alternate nutritional phenotypes revealed that the environmental nutrients required by the aphid–Buchnera pairs could not be explained by sequence variation in the symbionts. Instead, a novel metabolic modelling approach suggested that much of the variation in nutritional phenotype could be explained by host variation in the capacity to provide necessary nutrient precursors to their

  8. Single spots, unipolar magnetic regions, and pairs of spots: 2. The development of sunspot pairs and the Hale boundary

    NASA Astrophysics Data System (ADS)

    Akasofu, Syun-Ichi

    2015-04-01

    Sunspot pairs develop in connection with cell networks at or near the boundaries of positive and negative unipolar magnetic (UM) field regions. In this paper, we confirm his findings by recent data. In this connection, Svalgaard and Wilcox (1976) found also that solar activities occur only at one side of UM boundaries, called the "Hale boundary," on the basis of their observation of the interplanetary magnetic field. It is shown in this paper that the Hale boundary can be recognized also on the photosphere. Further, it is shown that new UM regions grow at the beginning of a new sunspot cycle, and active regions and sunspot pairs tend to develop at or near newly developing Hale boundaries. Thus, it is suggested that UM regions and specifically Hale boundaries are very important for the formation of active regions, sunspots, and sunspot pairs. These facts suggest also that UM regions are not merely remnants of decaying old spots and active regions. Some of the essential features of sunspot pairs, as well as their relationship to the Hale boundary in both even and odd cycles are presented in one figure, illustrating several requirements for a theory of the formation of single spots and sunspot pairs.

  9. Rashba Splitting of Cooper Pairs

    NASA Astrophysics Data System (ADS)

    Shekhter, R. I.; Entin-Wohlman, O.; Jonson, M.; Aharony, A.

    2016-05-01

    We investigate theoretically the properties of a weak link between two superconducting leads, which has the form of a nonsuperconducting nanowire with a strong Rashba spin-orbit coupling caused by an electric field. In the Coulomb-blockade regime of single-electron tunneling, we find that such a weak link acts as a "spin splitter" of the spin states of Cooper pairs tunneling through the link, to an extent that depends on the direction of the electric field. We show that the Josephson current is sensitive to interference between the resulting two transmission channels, one where the spins of both members of a Cooper pair are preserved and one where they are both flipped. As a result, the current is a periodic function of the strength of the spin-orbit interaction and of the bending angle of the nanowire (when mechanically bent); an identical effect appears due to strain-induced spin-orbit coupling. In contrast, no spin-orbit induced interference effect can influence the current through a single weak link connecting two normal metals.

  10. Rashba Splitting of Cooper Pairs.

    PubMed

    Shekhter, R I; Entin-Wohlman, O; Jonson, M; Aharony, A

    2016-05-27

    We investigate theoretically the properties of a weak link between two superconducting leads, which has the form of a nonsuperconducting nanowire with a strong Rashba spin-orbit coupling caused by an electric field. In the Coulomb-blockade regime of single-electron tunneling, we find that such a weak link acts as a "spin splitter" of the spin states of Cooper pairs tunneling through the link, to an extent that depends on the direction of the electric field. We show that the Josephson current is sensitive to interference between the resulting two transmission channels, one where the spins of both members of a Cooper pair are preserved and one where they are both flipped. As a result, the current is a periodic function of the strength of the spin-orbit interaction and of the bending angle of the nanowire (when mechanically bent); an identical effect appears due to strain-induced spin-orbit coupling. In contrast, no spin-orbit induced interference effect can influence the current through a single weak link connecting two normal metals. PMID:27284669

  11. Pair bonds: arrival synchrony in migratory birds.

    PubMed

    Gunnarsson, T G; Gill, J A; Sigurbjörnsson, T; Sutherland, W J

    2004-10-01

    Synchronous arrival of pairs of migratory birds at their breeding grounds is important for maintaining pair bonds and is achieved by pairs that remain together all year round. Here we show that arrival is also synchronized in paired individuals of a migratory shorebird, the black-tailed godwit (Limosa limosa islandica), even though they winter hundreds of kilometres apart and do not migrate together. The mechanisms required to achieve this synchrony and prevent 'divorce' illustrate the complexity of migratory systems. PMID:15470417

  12. Individuation of Pairs of Objects in Infancy

    ERIC Educational Resources Information Center

    Leslie, Alan M.; Chen, Marian L.

    2007-01-01

    Looking-time studies examined whether 11-month-old infants can individuate two pairs of objects using only shape information. In order to test individuation, the object pairs were presented sequentially. Infants were familiarized either with the sequential pairs, disk-triangle/disk-triangle (XY/XY), whose shapes differed within but not across…

  13. The Associability of CVC Pairs. Research Report.

    ERIC Educational Resources Information Center

    Montague, William E.; Kiess, Harold O.

    To obtain an a priori estimate of natural language mediators (NLM's) 320 pairs of words with the consonant-vowel-consonant-pattern (CVC's) were broken into four series of 90 pairs and presented to 240 male and female undergraduates. Pairs were shown for 15 seconds while the subjects wrote down any associative device or NLM they could generate that…

  14. Intramolecular competition between n-pair and π-pair hydrogen bonding: Microwave spectrum and internal dynamics of the pyridine–acetylene hydrogen-bonded complex

    SciTech Connect

    Mackenzie, Rebecca B.; Dewberry, Christopher T.; Leopold, Kenneth R. E-mail: david.tew@bristol.ac.uk; Coulston, Emma; Cole, George C.; Legon, Anthony C. E-mail: david.tew@bristol.ac.uk Tew, David P. E-mail: david.tew@bristol.ac.uk

    2015-09-14

    a-type rotational spectra of the hydrogen-bonded complex formed from pyridine and acetylene are reported. Rotational and {sup 14}N hyperfine constants indicate that the complex is planar with an acetylenic hydrogen directed toward the nitrogen. However, unlike the complexes of pyridine with HCl and HBr, the acetylene moiety in HCCH—NC{sub 5}H{sub 5} does not lie along the symmetry axis of the nitrogen lone pair, but rather, forms an average angle of 46° with the C{sub 2} axis of the pyridine. The a-type spectra of HCCH—NC{sub 5}H{sub 5} and DCCD—NC{sub 5}H{sub 5} are doubled, suggesting the existence of a low lying pair of tunneling states. This doubling persists in the spectra of HCCD—NC{sub 5}H{sub 5}, DCCH—NC{sub 5}H{sub 5}, indicating that the underlying motion does not involve interchange of the two hydrogens of the acetylene. Single {sup 13}C substitution in either the ortho- or meta-position of the pyridine eliminates the doubling and gives rise to separate sets of spectra that are well predicted by a bent geometry with the {sup 13}C on either the same side (“inner”) or the opposite side (“outer”) as the acetylene. High level ab initio calculations are presented which indicate a binding energy of 1.2 kcal/mol and a potential energy barrier of 44 cm{sup −1} in the C{sub 2v} configuration. Taken together, these results reveal a complex with a bent hydrogen bond and large amplitude rocking of the acetylene moiety. It is likely that the bent equilibrium structure arises from a competition between a weak hydrogen bond to the nitrogen (an n-pair hydrogen bond) and a secondary interaction between the ortho-hydrogens of the pyridine and the π electron density of the acetylene.

  15. Perturbations of vortex ring pairs

    NASA Astrophysics Data System (ADS)

    Gubser, Steven S.; Horn, Bart; Parikh, Sarthak

    2016-02-01

    We study pairs of coaxial vortex rings starting from the action for a classical bosonic string in a three-form background. We complete earlier work on the phase diagram of classical orbits by explicitly considering the case where the circulations of the two vortex rings are equal and opposite. We then go on to study perturbations, focusing on cases where the relevant four-dimensional transfer matrix splits into two-dimensional blocks. When the circulations of the rings have the same sign, instabilities are mostly limited to wavelengths smaller than a dynamically generated length scale at which single-ring instabilities occur. When the circulations have the opposite sign, larger wavelength instabilities can occur.

  16. The Importance of Discourse Style in Pairing Students for Interactive Communicative Tasks.

    ERIC Educational Resources Information Center

    Spelman, Mary

    A study analyzed the discourse of four pairs of students participating in dyadic interactive communicative tasks (ICTs) to discover if and how their discourse styles influenced the dynamics of interaction. Students were paired according to their teacher's evaluation of their discourse style as active or non-active, and were designated sender or…

  17. Paired States of Composite Fermions

    NASA Astrophysics Data System (ADS)

    Bonesteel, N. E.

    2002-03-01

    There is compelling theoretical evidence(R. Morf, Phys. Rev. Lett. 80), 1505 (1998). that the ν=5/2 fractional quantum Hall state is a Moore-Read state(G. Moore and N. Read, Nucl. Phys. B 360), 362 (1991). -- a state which can be viewed as a spin-polarized p-wave `superconductor' of composite fermions. The question remains, how can one test this hypothesis experimentally? To address this we have developed a semi-phenomenological description of this state in which the Halperin-Lee-Read(B.I. Halperin, P.A. Lee, and N. Read, Phys. Rev. B 47), 7312 (1993). theory of the half-filled Landau level is modified by adding a p-wave pairing interaction between composite fermions by hand. The electromagnetic response functions for the resulting mean-field superconducting state are then calculated and used in an RPA calculation of the physical electronic response. For a clean enough sample, and for q << k_f, the transverse electromagnetic response function for composite fermions is governed by type-II coherence factors and shows a `Hebel-Slichter'-like peak as a function of temperature for low enough frequency. The possibility (and potential difficulties) of observing this peak indirectly in surface-acoustic-wave propagation experiments will be discussed. The observation of such a coherence peak would provide strong evidence of BCS pairing in the 5/2 state. Work supported by US DOE Grant No. DE-FG02-97ER45639. Work done in collaboration with K.C. Foster (FSU) and S.H. Simon (Lucent). note

  18. Using Faculty Preference to Identify Disciplinary Pairs and Foster Collaboration

    ERIC Educational Resources Information Center

    Shaw, Mahauganee D.; Dumford, Amber D.; Cole, Eddie R.; Nelson Laird, Thomas F.; Haywood, Antwione M.

    2015-01-01

    Data from the 2010 administration of the Faculty Survey of Student Engagement were used to identify pairs of disciplines in which faculty want to be compared based on research practices, teaching practices, and perceptions of student engagement in academic activities. The goal of this study was to group disciplines by a method with which faculty…

  19. Pick a Pair. Investing Wisely: National Coin Week

    ERIC Educational Resources Information Center

    Miller, Pat

    2005-01-01

    Most children have heard that money does not grow on trees. But it does on paper--in books! This column features paired book titles and related activities that can be used in the classroom or the library media center to celebrate National Coin Week in April. Time devoted to students while sharing books on money and its uses will be well spent.

  20. Reed bunting females increase fitness through extra-pair mating with genetically dissimilar males

    PubMed Central

    Suter, Stefan M; Keiser, Martin; Feignoux, Raoul; Meyer, Dietrich R

    2007-01-01

    Females of many socially monogamous species accept or even actively seek copulations outside the social pair bond. As females cannot increase the number of offspring with promiscuous behaviour, the question arises why they engage in extra-pair mating. We used microsatellite data to determine paternity, heterozygosity and genetic relatedness in the reed bunting (Emberiza schoeniclus), a species with high levels of extra-pair paternity (EPP). We found that extra-pair young (EPY) were more heterozygous than within-pair young (WPY). The high heterozygosity of the EPY resulted from a low genetic similarity between females and their extra-pair mates. EPY were heavier and larger when compared with their maternal half-siblings shortly before they left the nest. Recapture data indicated a higher fledgling survival of EPY compared with WPY. Our data suggest that reed bunting females increase the viability of their offspring and thus fitness through extra-pair mating with genetically dissimilar males. PMID:17785270

  1. Ln3Pb3(IO3)13(mu3-O) (Ln = La-Nd): new types of second-order nonlinear optical materials containing two types of lone pair cations.

    PubMed

    Hu, Ting; Qin, Li; Kong, Fang; Zhou, Yong; Mao, Jiang-Gao

    2009-03-01

    Hydrothermal reactions of lanthanide oxide, lead chloride, I(2)O(5), and H(2)O at 200 degrees C led to four novel quaternary compounds, namely, Ln(3)Pb(3)(IO(3))(13)(mu(3)-O) (Ln = La-Nd). They are isostructural, and their structures feature a complicated 3D network composed of LaO(9) and PbO(6) polyhedra interconnected by asymmetric IO(3) groups. Ln(3)Pb(3)(IO(3))(13)(mu(3)-O) (Ln = La, Pr, Nd) display moderate second harmonic generation efficiencies of about 2.0, 1.0, and 0.8 times the value of KH(2)PO(4), respectively. These compounds are thermally stable up to 520 degrees C. Luminescence measurements indicate that Ln(3)Pb(3)(IO(3))(13)(mu(3)-O) (Ln = Ce, Pr, Nd) exhibit strong emission bands in the visible or near IR region. Magnetic studies indicate that there exist significant antiferromagnetic interactions between magnetic centers in Ln(3)Pb(3)(IO(3))(13)(mu(3)-O) (Ln = Pr, Nd). PMID:19235978

  2. Effect of polarizable lone pair cations on the second-harmonic generation (SHG) properties of noncentrosymmetric (NCS) Bi(2-x)Y(x)TeO₅ (x = 0-0.2).

    PubMed

    Jo, Hongil; Kim, Yeong Hun; Lee, Dong Woo; Ok, Kang Min

    2014-08-14

    Y(3+)-doped noncentrosymmetric (NCS) bismuth tellurite materials, Bi(2-x)Y(x)TeO5 (x = 0, 0.1, and 0.2), have been synthesized through standard solid-state reactions and structurally characterized by powder neutron diffraction. The reported NCS materials crystallize in the orthorhombic space group Abm2 (no. 39), and exhibit pseudo-three-dimensional frameworks that are composed of BiO3, BiO5, and TeO3 polyhedra. Detailed diffraction studies show that the cell volume of Bi(2-x)Y(x)TeO5 decreases with an increasing amount of Y(3+)on the Bi(3+) sites. However, no ordering between Bi(3+) and Y(3+) was observed in the Bi(2-x)Y(x)TeO5. Powder second-harmonic generation (SHG) measurements, using 1064 nm radiation, reveal that Bi2TeO5, Bi(1.9)Y(0.1)TeO5, and Bi(1.8)Y(0.2)TeO5 exhibit SHG efficiencies of approximately 300, 200, and 60 times that of α-SiO2, respectively. The reduction in SHG for Y(3+)-doped materials is consistent with the lack of net moment originating from polyhedra with a polarizable Bi(3+) cation. PMID:24957610

  3. Pair Cascades in Blazars and Radio Galaxies

    NASA Astrophysics Data System (ADS)

    Roustazadeh Sheikhyousefi, Parisa

    2012-05-01

    Recently some intermediate BL Lac objects (IBL), low frequency peak BL Lac objects (LBL) and flat spectrum radio quasars (FSRQs) were detected as very high energy gamma-ray sources (VHE; E > 100 GeV) by the Major Atmospheric Gamma-ray Imaging Cherenkov Telescope (MAGIC), the High Energy Stereoscopic System (H.E.S.S) and the Very Energetic Radiation Imaging Telescope Array System (VERITAS). These discoveries suggest that VHE gamma-rays may be produced in all types of active galactic nuclei (AGN) and that this is not only a common property of high frequency peaked BL Lac objects (HBL). The detection of the radio galaxies M87, Cen A and NGC 1275 supports this idea. In those AGN, VHE photons may interact with low energy photons from the broadline region (BLR), accretion disk around the black hole or thermal infrared photons form a dust torus by photon-photon pair production if the total center-of-momentum frame energy is above threshold to produce an electron-positron pair. These particles can produce new high energy photons by Compton up-scattering, and again these high energy photons can interact with soft photons to produce a pair of particles. This process will continue, leading to a shower (cascade) of particles and radiation. As the shower develops, it will expand laterally. This may explain the detection of the radio galaxies as VHE gamma-ray sources. The central part of my Ph.D. research work deals with the theoretical simulation of very high energy gamma-ray induced pair cascades in blazars and radio galaxies. Gamma-rays from the core of the AGN interact with low energy photons from the AGN environment and produce pairs of electrons and positrons resulting in Compton supported pair cascades. I developed a Monte Carlo code which treats the processes of gamma-gamma absorption and pair production, gamma-ray and electron/positron propagation, and Compton scattering, tracking particle trajectories in full 3-dimensional geometry. I showed that even for a very weak

  4. Galaxy pairs align with Galactic filaments

    NASA Astrophysics Data System (ADS)

    Tempel, E.; Tamm, A.

    2015-04-01

    Context. Gravitational collapse theory and numerical simulations suggest that the velocity field within large-scale galaxy filaments is dominated by motions along the filaments. Aims: Our aim is to check whether observational data reveal any preferred orientation of galaxy pairs with respect to the underlying filaments as a result of the expectedly anisotropic velocity field. Methods: We use galaxy pairs and galaxy filaments identified from Sloan Digital Sky Survey data. For filament extraction, we use the Bisous model that is based on the marked point process technique. During the filament detection, we use the centre point of each pair instead of the positions of galaxies to avoid a built-in influence of pair orientation on the filament construction. For pairs lying within filaments (3012 cases), we calculate the angle between the line connecting the galaxies of each pair and their host filaments. To avoid redshift-space distortions, the angle is measured in the plane of the sky. Results: The alignment analysis shows that the orientation of galaxy pairs correlates strongly with their host filaments. The alignment signal is stronger for loose pairs, with at least 25% excess of aligned pairs compared to a random distribution. The alignment of galaxy pairs and filaments measured from the observational data is in good agreement with the alignment in the Millennium simulation and thus provides support to the ΛCDM formalism.

  5. On structure and methylene blue degradation activity of an Aurivillius-type photocatalyst of Bi4V2O11 nanoparticles

    NASA Astrophysics Data System (ADS)

    Lu, Yuting; Pu, Yinfu; Wang, Jing; Qin, Chuangxiang; Chen, Cuili; Seo, Hyo Jin

    2015-08-01

    Aurivillius-type photocatalyst of Bi4V2O11 nanoparticles with an average particle size of 45 nm was prepared by the modified Pechini method. The sample was investigated by X-ray powder diffraction (XRD) and the structural refinement. The nanoparticles were characterized by scanning electron microscope (SEM), energy dispersive X-ray spectroscopy (EDX), X-ray photoelectron spectroscopic (XPS) and UV-vis absorption spectrum. Bi4V2O11 nanoparticles show an efficient absorption in the UV-vis light wavelength region with a narrowed band gap energy of 2.08 eV and an indirect allowed electronic transition. The photocatalytic activities of Bi4V2O11 nanoparticles were evaluated by photodegradation of methylene blue (MB) under visible-light irradiation in air atmosphere. These results indicate that Bi4V2O11 could be a potential photocatalyst driven by visible-light. Hybridization of the 6s and 6p orbitals of Bi3+ and the resulting lone electron pair yields interesting properties. The effective photocatalytic activity was discussed on the base of the crystal structure characteristic such as polar (VO3.5□0.5)2- anionic groups, Aurivillius-type (Bi2O2)2+ layers and long distance of the nearest V-V in the lattices, etc.

  6. Passive estimation of the waveguide invariant per pair of modes.

    PubMed

    Le Gall, Yann; Bonnel, Julien

    2013-08-01

    In many oceanic waveguides, acoustic propagation is characterized by a parameter called waveguide invariant. This property is used in many passive and active sonar applications where knowledge of the waveguide invariant value is required. The waveguide invariant is classically considered as scalar but several studies show that it is better modeled by a distribution because of its dependence on frequency and mode pairs. This paper presents a new method for estimating the waveguide invariant distribution. Using the noise radiated by a distant ship and a single hydrophone, the proposed methodology allows estimating the waveguide invariant for each pair of modes in shallow water. Performance is evaluated on simulated data. PMID:23927230

  7. Triplet harvesting with 100% efficiency by way of thermally activated delayed fluorescence in charge transfer OLED emitters.

    PubMed

    Dias, Fernando B; Bourdakos, Konstantinos N; Jankus, Vygintas; Moss, Kathryn C; Kamtekar, Kiran T; Bhalla, Vandana; Santos, José; Bryce, Martin R; Monkman, Andrew P

    2013-07-19

    Organic light-emitting diodes (OLEDs) have their performance limited by the number of emissive singlet states created upon charge recombination (25%). Recently, a novel strategy has been proposed, based on thermally activated up-conversion of triplet to singlet states, yielding delayed fluorescence (TADF), which greatly enhances electroluminescence. The energy barrier for this reverse intersystem crossing mechanism is proportional to the exchange energy (ΔEST ) between the singlet and triplet states; therefore, materials with intramolecular charge transfer (ICT) states, where it is known that the exchange energy is small, are perfect candidates. However, here it is shown that triplet states can be harvested with 100% efficiency via TADF, even in materials with ΔEST of more than 20 kT (where k is the Boltzmann constant and T is the temperature) at room temperature. The key role played by lone pair electrons in achieving this high efficiency in a series of ICT molecules is elucidated. The results show the complex photophysics of efficient TADF materials and give clear guidelines for designing new emitters. PMID:23703877

  8. Inequivalence of substitution pairs in hydroxynaphthaldehyde: A theoretical measurement by intramolecular hydrogen bond strength, aromaticity, and excited-state intramolecular proton transfer reaction.

    PubMed

    Mahanta, Subrata; Paul, Bijan Kumar; Balia Singh, Rupashree; Guchhait, Nikhil

    2011-01-15

    The inequivalence of substitution pair positions of naphthalene ring has been investigated by a theoretical measurement of hydrogen bond strength, aromaticity, and excited state intramolecular proton transfer (ESIPT) reaction as the tools in three substituted naphthalene compounds viz 1-hydroxy-2-naphthaldehyde (HN12), 2-hydroxy-1-naphthaldehyde (HN21), and 2-hydroxy-3-naphthaldehyde (HN23). The difference in intramolecular hydrogen bond (IMHB) strength clearly reflects the inequivalence of substitution pairs where the calculated IMHB strength is found to be greater for HN12 and HN21 than HN23. The H-bonding interactions have been explored by calculation of electron density ρ(r) and Laplacian ∇(2) ρ(r) at the bond critical point using atoms in molecule method and by calculation of interaction between σ* of OH with lone pair of carbonyl oxygen atom using NBO analysis. The ground and excited state potential energy surfaces (PESs) for the proton transfer reaction at HF (6-31G**) and DFT (B3LYP/6-31G**) levels are similar for HN12, HN21 and different for HN23. The computed aromaticity of the two rings of naphthalene moiety at B3LYP/6-31G** method also predicts similarity between HN12 and HN21, but different for HN23. PMID:20623648

  9. FIR statistics of paired galaxies

    NASA Technical Reports Server (NTRS)

    Sulentic, Jack W.

    1990-01-01

    Much progress has been made in understanding the effects of interaction on galaxies (see reviews in this volume by Heckman and Kennicutt). Evidence for enhanced emission from galaxies in pairs first emerged in the radio (Sulentic 1976) and optical (Larson and Tinsley 1978) domains. Results in the far infrared (FIR) lagged behind until the advent of the Infrared Astronomy Satellite (IRAS). The last five years have seen numerous FIR studies of optical and IR selected samples of interacting galaxies (e.g., Cutri and McAlary 1985; Joseph and Wright 1985; Kennicutt et al. 1987; Haynes and Herter 1988). Despite all of this work, there are still contradictory ideas about the level and, even, the reality of an FIR enhancement in interacting galaxies. Much of the confusion originates in differences between the galaxy samples that were studied (i.e., optical morphology and redshift coverage). Here, the authors report on a study of the FIR detection properties for a large sample of interacting galaxies and a matching control sample. They focus on the distance independent detection fraction (DF) statistics of the sample. The results prove useful in interpreting the previously published work. A clarification of the phenomenology provides valuable clues about the physics of the FIR enhancement in galaxies.

  10. Pair programming in education: a literature review

    NASA Astrophysics Data System (ADS)

    Hanks, Brian; Fitzgerald, Sue; McCauley, Renée; Murphy, Laurie; Zander, Carol

    2011-06-01

    This article provides a review of educational research literature focused on pair programming in the undergraduate computer science curriculum. Research suggests that the benefits of pair programming include increased success rates in introductory courses, increased retention in the major, higher quality software, higher student confidence in solutions, and improvement in learning outcomes. Moreover, there is some evidence that women, in particular, benefit from pair programming. The literature also provides evidence that the transition from paired to solo programming is easy for students. The greatest challenges for paired students appear to concern scheduling and partner compatibility. This review also considers practical issues such as assigning partners, teaching students to work in pairs, and assessing individual contributions, and concludes with a discussion of open research questions.

  11. The lone S41 family C-terminal processing protease in Staphylococcus aureus is localized to the cell wall and contributes to virulence.

    PubMed

    Carroll, Ronan K; Rivera, Frances E; Cavaco, Courtney K; Johnson, Grant M; Martin, David; Shaw, Lindsey N

    2014-08-01

    Staphylococcus aureus is a versatile pathogen of humans and a continued public health concern due to the rise and spread of multidrug-resistant strains. As part of an ongoing investigation into the pathogenic mechanisms of this organism we previously demonstrated that an intracellular N-terminal processing protease is required for S. aureus virulence. Following on from this, here we examine the role of CtpA, the lone C-terminal processing protease of S. aureus. CtpA, a member of the S41 family, is a serine protease whose homologues in Gram-negative bacteria have been implicated in a range of biological functions, including pathogenesis. We demonstrate that S. aureus CtpA is localized to the bacterial cell wall and expression of the ctpA gene is maximal upon exposure to conditions encountered during infection. Disruption of the ctpA gene leads to decreased heat tolerance and increased sensitivity when exposed to components of the host immune system. Finally we demonstrate that the ctpA(-) mutant strain is attenuated for virulence in a murine model of infection. Our results represent the first characterization of a C-terminal processing protease in a pathogenic Gram-positive bacterium and show that it plays a critical role during infection. PMID:24928312

  12. Distribution and infection frequency of 'Candidatus Rickettsia amblyommii' in Maryland populations of the lone star tick (Amblyomma americanum) and culture in an Anopheles gambiae mosquito cell line.

    PubMed

    Zhang, Xing; Ren, Xiaoxia; Norris, Douglas E; Rasgon, Jason L

    2012-02-01

    Amblyomma americanum (the lone star tick) is a broadly distributed tick that transmits multiple pathogens of humans and domestic animals. 'Candidatus Rickettsia amblyommii' is a spotted-fever group rickettsial species that is potentially associated with human disease. In 2008 and 2009, we assayed over 500 unfed adult ticks from 19 Maryland populations for the presence of 'Candidatus R. amblyommii'. Infection frequencies ranged from 33% to 100%, with an average infection rate of 60% in 2008 and 69% in 2009. Infection frequencies did not differ statistically between sexes. To develop a system in which to study 'Candidatus R. amblyommii' in the laboratory, we used a cell line developed from Anopheles gambiae mosquitoes (Sua5B) to isolate and culture 'Candidatus R. amblyommii' from field-collected A. americanum ticks from 2 localities in Maryland. After infection, Sua5B cells were infected for more than 40 passages. Infection was confirmed by Rickettsia-specific PCR, gene sequencing, and Rickettsia-specific fluorescence in situ hybridization (FISH). These data show that 'Candidatus R. amblyommii' is widespread in Maryland A. americanum populations and that Sua5B cells are a useful tool for culturing Rickettsia infections from wild ticks. PMID:22309857

  13. Efficacy of amitraz-impregnated collars on white-tailed deer (Artiodactyla: Cervidae) in reducing free-living populations of lone star ticks (Acari: Ixodidae).

    PubMed

    Pound, J M; Lohmeyer, K H; Davey, R B; Miller, J A; George, J E

    2012-12-01

    Over a 7 yr period, we monitored the effect of a commercially available, amitraz impregnated anti-tick collar in controlling free-living populations of lone star ticks, Amblyomma americanum (L.) when manually fitted around necks of white-tailed deer, Odocoileus virginianus (Zimmermann). Study animals in treatment and control groups were confined in 38.8 ha game-fenced and densely vegetated treatment plots in South Texas. Tick densities during years 1 and 7 served as untreated pre- and posttreatment comparisons and treatments occurred during years 2 through 5. Reductions in tick densities in the treatment plot were compared against tick densities in a control plot having similar vegetation and numbers of untreated deer. During years of treatment, indices of control pressure ranged from 18.2 to 82.6 for nymphs and 16.9-78.7 for adults, and efficacy, expressed as percentage control during the final year of treatment, was 77.2 and 85.0%, respectively, for nymphal and adult ticks. These data show that acaricidal collar treatments provide efficacies very similar to those achieved with the existing ivermectin-medicated bait and '4-Poster' topical treatment technologies to control ticks feeding on wild white-tailed deer. PMID:23356088

  14. Homologue pairing, recombination and segregation in Caenorhabditis elegans.

    PubMed

    Zetka, M

    2009-01-01

    Meiosis in the free-living, hermaphroditic nematode Caenorhabditis elegans is marked by the same highly conserved features observed in other sexually reproducing systems. Accurate chromosome segregation at the meiotic divisions depends on earlier landmark events of meiotic prophase, including the pairing of homologous chromosomes, synapsis between them, and the formation of crossovers. Dissection of these processes has revealed a unique simplification of meiotic mechanisms that impact the interpretation of meiotic chromosome behaviour in more complex systems. Chromosome sites required for chromosome pairing are consolidated to one end of each chromosome, the many sites of recombination initiation are resolved into a single crossover for each chromosome pair, and the diffuse (holocentric) kinetic activity that extends along the length of the mitotic chromosomes is reduced to a single end of each meiotic chromosome. Consequently, studies from the nematode have illuminated and challenged long-standing concepts of homologue pairing mechanisms, crossover interference, and kinetochore structure. Because chromosome pairing, synapsis, and recombination can proceed independently of one another, C. elegans has provided a simplified system for studying these processes and the mechanisms mediating their coordination during meiosis. This review covers the major features of C. elegans meiosis with emphasis on its contributions to understanding essential meiotic processes. PMID:18948706

  15. Conformational changes in redox pairs of protein structures

    PubMed Central

    Fan, Samuel W; George, Richard A; Haworth, Naomi L; Feng, Lina L; Liu, Jason Y; Wouters, Merridee A

    2009-01-01

    Disulfides are conventionally viewed as structurally stabilizing elements in proteins but emerging evidence suggests two disulfide subproteomes exist. One group mediates the well known role of structural stabilization. A second redox-active group are best known for their catalytic functions but are increasingly being recognized for their roles in regulation of protein function. Redox-active disulfides are, by their very nature, more susceptible to reduction than structural disulfides; and conversely, the Cys pairs that form them are more susceptible to oxidation. In this study, we searched for potentially redox-active Cys Pairs by scanning the Protein Data Bank for structures of proteins in alternate redox states. The PDB contains over 1134 unique redox pairs of proteins, many of which exhibit conformational differences between alternate redox states. Several classes of structural changes were observed, proteins that exhibit: disulfide oxidation following expulsion of metals such as zinc; major reorganisation of the polypeptide backbone in association with disulfide redox-activity; order/disorder transitions; and changes in quaternary structure. Based on evidence gathered supporting disulfide redox activity, we propose disulfides present in alternate redox states are likely to have physiologically relevant redox activity. PMID:19598234

  16. Lax pairs for deformed Minkowski spacetimes

    NASA Astrophysics Data System (ADS)

    Kyono, Hideki; Sakamoto, Jun-ichi; Yoshida, Kentaroh

    2016-01-01

    We proceed to study Yang-Baxter deformations of 4D Minkowski spacetime based on a conformal embedding. We first revisit a Melvin background and argue a Lax pair by adopting a simple replacement law invented in 1509.00173. This argument enables us to deduce a general expression of Lax pair. Then the anticipated Lax pair is shown to work for arbitrary classical r-matrices with Poincaré generators. As other examples, we present Lax pairs for pp-wave backgrounds, the Hashimoto-Sethi background, the Spradlin-Takayanagi-Volovich background.

  17. The counterbalance theory for evolution and function of paired receptors.

    PubMed

    Barclay, A Neil; Hatherley, Deborah

    2008-11-14

    Paired receptors are families of membrane proteins containing similar extracellular regions but differing in their potential for signaling with one type able to give inhibitory signals and the other activating. Inhibitory receptors could be good targets for pathogens to restrict immune responses against them. Here we suggest that activating members may have evolved to counterbalance pathogens utilizing the inhibitory pathway. Thus, if a pathogen utilizes any part of the inhibitory receptor to downregulate responses against itself, it may, because of similarities in structure, also bind the activating receptor and give an opposing signal. We evaluate recent structural data on SIRPalpha (signal regulatory protein) and LILRB1 (leukocyte immunoglobulin-like receptor subfamily B member 1) showing evidence of pathogen pressure in nonligand-binding regions of these receptors together with data on pathogen binding to PIRs (paired Ig-like receptors) to provide support for this theory. PMID:19006692

  18. Widnall instabilities in vortex pairs

    NASA Astrophysics Data System (ADS)

    Sipp, Denis; Jacquin, Laurent

    2003-07-01

    In this article we analyze the cooperative three-dimensional short-wave instabilities developing on concentrated vortex dipoles that have been obtained by means of two-dimensional direct numerical simulations. These dipoles are characterized by their aspect ratio a/b where a is the radius of the vortices based on the polar moments of vorticity and b is the separation between the vortex centroids. In the inviscid case, we show that the selection of the antisymmetric eigenmode smoothly increases with a/b: for a/b=0.208, the amplification rate of the antisymmetric eigenmode is only 1.4% larger than the amplification rate of the symmetric eigenmode. When a/b=0.288, this difference increases up to 7%. The results of the normal mode analysis may be compared to those of an asymptotic stability analysis of a Lamb-Oseen vortex subjected to a weak straining field, following Moore and Saffman [Proc. R. Soc. London, Ser. A 346, 413 (1975)]. This theory shows that the instability may occur whenever two Kelvin waves exist with the same frequency ω, the same axial wavenumber k and with azimuthal wavenumbers m and m+2. Contrary to the case of a Rankine vortex [Tsai and Widnall, J. Fluid Mech. 73, 721 (1976)], the presence of critical layers in a Lamb-Oseen vortex prevents a large number of possible resonances. For example, resonances between m=-2 and m=0 modes lead to damped modes. The only resonances that occur are related to the stationary (ω=0) bending waves (m=±1) obtained for specific values of the axial wavenumber. All these predictions are found to be in good agreement with the results obtained by the stability analysis of the considered vortex pairs. At last, we present a nonautonomous amplitude equation which takes into account all effects of viscosity, i.e., the viscous damping of the amplification rate of the perturbation but also the increase of the dipole aspect ratio a/b due to the viscous diffusion of the basic flowfield. The low-Reynolds number experiment of

  19. Top Quark Pair Production at the Tevatron

    SciTech Connect

    Nielsen, Jason

    2005-05-17

    The measurement of the top quark pair production crosssection inproton-antiproton collisions at 1.96 TeV is a test ofquantumchromodynamics and could potentially be sensitive to newphysics beyondthe standard model. I report on the latest t-tbarcross section resultsfrom the CDF and DZero experiments in various finalstate topologies whicharise from decays of top quark pairs.

  20. Attitudes on Using Pair-Programming

    ERIC Educational Resources Information Center

    Howard, Elizabeth V.

    2007-01-01

    During a research study conducted over four semesters, students enrolled in an introductory programming class at a commuter campus used the pair-programming approach for both in-class labs and out-of-class programming assignments. This study was a comprehensive assessment of pair-programming using multiple measures of both quantitative and…

  1. Paired Placements for Early Field Experiences

    ERIC Educational Resources Information Center

    Cohen, Myrna D.; Nath, Janice L.

    2006-01-01

    This article describes and evaluates the pairing of 2 preservice teachers to 1 mentor for early fieldwork. Traditionally, many programs have been reluctant to assign more than 1 student to a mentor. This study describes how the pairing is implemented; it addresses practical considerations; and it evaluates the innovation. Feedback gathered from…

  2. Pairing, pseudogap and Fermi arcs in cuprates

    SciTech Connect

    Kaminski, Adam; Kondo, Takeshi; Takeuchi, Tsunehiro; Gu, Genda

    2014-04-29

    We use Angle Resolved Photoemission Spectroscopy (ARPES) to study the relationship between the pseudogap, pairing and Fermi arcs in cuprates. High quality data measured over a wide range of dopings reveals a consistent picture of Fermiology and pairing in these materials. The pseudogap is due to an ordered state that competes with superconductivity rather than preformed pairs. Pairing does occur below Tpair ~ 150K and significantly above Tc, but well below T* and the doping dependence of this temperature scale is distinct from that of the pseudogap. The d-wave gap is present below Tpair, and its interplay with strong scattering creates “artificial” Fermi arcs for Tc ≤ T ≤ Tpair. However, above Tpair, the pseudogap exists only at the antipodal region. This leads to presence of real, gapless Fermi arcs close to the node. The length of these arcs remains constant up to T*, where the full Fermi surface is recovered. As a result, we demonstrate that these findings resolve a number of seemingly contradictory scenarios.

  3. Pair Programming in Education: A Literature Review

    ERIC Educational Resources Information Center

    Hanks, Brian; Fitzgerald, Sue; McCauley, Renee; Murphy, Laurie; Zander, Carol

    2011-01-01

    This article provides a review of educational research literature focused on pair programming in the undergraduate computer science curriculum. Research suggests that the benefits of pair programming include increased success rates in introductory courses, increased retention in the major, higher quality software, higher student confidence in…

  4. Fundamental pairs in nuclear collective motion

    NASA Astrophysics Data System (ADS)

    Naotaka, Yoshinaga

    1994-03-01

    Usefulness of the pair approximation is shown in both vibrational and rotational regions. The renormalized SDG-pair space is sufficiently enough to reproduce moment of inertia of the ground band that was previously thought as a difficult physical quantity to be reproduced.

  5. Paired Reading Bulletin. Spring 1988, No. 4.

    ERIC Educational Resources Information Center

    Paired Reading Bulletin, 1988

    1988-01-01

    The annual bulletin of the Paired Reading Project contains 17 feature articles: (1) "Parental Involvement in Reading and Language" (F. Burton); (2) "Infant/Infant Cross-Age Peer Group Tuition" (A. Low and M.Davies); (3) "Comment on Low & Davies" (K. Topping); (4) "Paired Reading in Reaside Middle School" (F. Gautrey); (5) "Sex Differences in the…

  6. Pairing in a dry Fermi sea.

    PubMed

    Maier, T A; Staar, P; Mishra, V; Chatterjee, U; Campuzano, J C; Scalapino, D J

    2016-01-01

    In the traditional Bardeen-Cooper-Schrieffer theory of superconductivity, the amplitude for the propagation of a pair of electrons with momentum k and -k has a log singularity as the temperature decreases. This so-called Cooper instability arises from the presence of an electron Fermi sea. It means that an attractive interaction, no matter how weak, will eventually lead to a pairing instability. However, in the pseudogap regime of the cuprate superconductors, where parts of the Fermi surface are destroyed, this log singularity is suppressed, raising the question of how pairing occurs in the absence of a Fermi sea. Here we report Hubbard model numerical results and the analysis of angular-resolved photoemission experiments on a cuprate superconductor. In contrast to the traditional theory, we find that in the pseudogap regime the pairing instability arises from an increase in the strength of the spin-fluctuation pairing interaction as the temperature decreases rather than the Cooper log instability. PMID:27312569

  7. Pairing in a dry Fermi sea

    NASA Astrophysics Data System (ADS)

    Maier, T. A.; Staar, P.; Mishra, V.; Chatterjee, U.; Campuzano, J. C.; Scalapino, D. J.

    2016-06-01

    In the traditional Bardeen-Cooper-Schrieffer theory of superconductivity, the amplitude for the propagation of a pair of electrons with momentum k and -k has a log singularity as the temperature decreases. This so-called Cooper instability arises from the presence of an electron Fermi sea. It means that an attractive interaction, no matter how weak, will eventually lead to a pairing instability. However, in the pseudogap regime of the cuprate superconductors, where parts of the Fermi surface are destroyed, this log singularity is suppressed, raising the question of how pairing occurs in the absence of a Fermi sea. Here we report Hubbard model numerical results and the analysis of angular-resolved photoemission experiments on a cuprate superconductor. In contrast to the traditional theory, we find that in the pseudogap regime the pairing instability arises from an increase in the strength of the spin-fluctuation pairing interaction as the temperature decreases rather than the Cooper log instability.

  8. Coupling of Carbon Monoxide with Nitrogen Monoxide at a Frustrated Lewis Pair Template.

    PubMed

    Ye, Ke-Yin; Kehr, Gerald; Daniliuc, Constantin G; Liu, Lei; Grimme, Stefan; Erker, Gerhard

    2016-08-01

    Coupling of carbon monoxide with nitrogen monoxide was achieved at a frustrated Lewis pair template. This unique reaction uses hydride as an auxiliary, which reductively activates carbon monoxide at the frustrated Lewis pair. The CO/NO coupling reaction then takes place through a pathway involving a radical reaction in which the hydrogen atom auxiliary is eventually removed again. PMID:27328914

  9. Optical Spectroscopy of Unbound Asteroid Pairs

    NASA Astrophysics Data System (ADS)

    Duddy, Samuel; Lowry, S. C.; Christou, A.; Wolters, S. D.; Snodgrass, C.; Fitzsimmons, A.; Deller, J. F.; Hainaut, O. R.; Rozitis, B.; Weissman, P. R.; Green, S. F.

    2012-10-01

    The recently discovered unbound asteroid pairs have been suggested to be the result of the decoupling of binary asteroids formed either through collision processes or, more likely, rotational fission of a rubble-pile asteroid after spin-up (Vokrouhlicky et al. 2008, AJ 136, 280; Pravec et al., 2010, Nature, 466, 1085). Much of the evidence for linkage of the asteroids in each pair relies solely on the backwards integrations of their orbits. We report new results from our continuing spectroscopic survey of the unbound asteroid pairs, including the youngest known pair, (6070) Rhineland - (54827) 2001 NQ8. The survey goal is to determine whether the asteroids in each unbound pair have similar spectra and therefore composition, expected if they have formed from a common parent body. Low-resolution spectroscopy covering the range 0.4-0.95 microns was conducted using the 3.6m ESO NTT+EFOSC2 during 2011-2012 and the 4.2m WHT+ACAM. We have attempted to maintain a high level of consistency between the observations of the components in each pair to ensure that differences in the asteroid spectra are not the result of the observing method or data reduction, but purely caused by compositional differences. Our WHT data indicates that the asteroids of unbound pair 17198 - 229056 exhibit different spectra and have been assigned different taxonomies, A and R respectively. Initial analysis of our data from the NTT suggests that the asteroids in unbound pairs 6070 - 54827 and 38707 - 32957 are likely silicate-dominated asteroids. The components of pair 23998 - 205383 are potentially X-type asteroids. We present final taxonomic classifications and the likelihood of spectral similarity in each pair.

  10. Ab Initio Atomic Simulations of Antisite Pair Recovery in Cubic Silicon Carbide

    SciTech Connect

    Gao, Fei; Du, Jincheng; Bylaska, Eric J.; Posselt, Matthias; Weber, William J.

    2007-05-28

    The thermal stability of an antisite pair in 3C-SiC is studied using ab initio molecular dynamics within the framework of density functional theory. The lifetime of the antisite pair configuration is calculated for temperatures between 1800 and 2250 K, and the effective activation energy for antisite pair recombination is determined to be 2.52 eV. The recombination energy path and static energy barrier are also calculated using the nudged elastic band method, along with the dimer method to accurately locate the transition states. The consistency of the results suggests that the antisite pair cannot be correlated with the DI photoluminescence center, as proposed by previously theoretical interpretations. An extended exchange mechanism is found for the antisite pair recombination, and this may be a dominant mechanism for antisite pair recombination and diffusion of impurities in compound semiconductors.

  11. Synthesis, structural study and biological activity of new derivatives of chrysin containing a 2-mercaptopyridyl or 5-(trifluoromethyl)-2-mercaptopyridyl fragments

    NASA Astrophysics Data System (ADS)

    Valdez-Calderón, Alejandro; González-Montiel, Simplicio; Martínez-Otero, Diego; Martínez-Torres, Ataulfo; Vásquez-Pérez, José Manuel; Molina-Vera, Carlos; Torres-Valencia, J. Martín; Alvarado-Rodríguez, José G.; Cruz-Borbolla, Julian

    2016-04-01

    New derivatives of chrysin containing 2-mercaptopyridine (2a-2e) or 5-(trifluoromethyl)-2-mercaptopyridine (3a-3e) moieties were prepared from the reaction between bromides (1a-1e) and 2-mercaptopyridine or 5-(trifluoromethyl)-2-mercaptopyridine, respectively. Their structures were elucidated by NMR, IR and elemental analysis. The molecular structure of compounds 1a, 1c-1e, 2b-2e and 3a was determined by single-crystal X-ray diffraction studies. All rings in these structures are nearly coplanar and they showed an intramolecular hydrogen bond between the phenolic hydroxyl H atom and the carbonyl O atom that forms a six membered ring. The crystal packing also showed a wide variety of intermolecular contacts such as C-H⋯A, π-π, C-H⋯π and lone pair⋯π interactions which were supported by quantum theory of atoms in molecules (QTAIM), Hirshfeld surface, and fingerprint plot analyses. Biological activity of all compounds was tested in growth assays of the nematode Caenorhabiditis elegans. Compounds 2e, 3b and 3c inhibited larval development.

  12. Metal-dithiocarbamate complexes: chemistry and biological activity.

    PubMed

    Hogarth, Graeme

    2012-10-01

    Dithiocarbamates are highly versatile mono-anionic chelating ligands which form stable complexes with all the transition elements and also the majority of main group, lanthanide and actinide elements. They are easily prepared from primary or secondary amines and depending upon the nature of the cation can show good solubility in water or organic solvents. They are related to the thiuram disulfides by a one-electron redox process (followed by dimerisation via sulfur-sulfur bond formation) which is easily carried out upon addition of iodide or ferric salts. Dithiocarbamates are lipophilic and generally bind to metals in a symmetrical chelate fashion but examples of other coordination modes are known, the monodentate and anisobidentate modes being most prevalent. They are planar sterically non-demanding ligands which can be electronically tuned by judicious choice of substituents. They stabilize metals in a wide range of oxidation states, this being attributed to the existence of soft dithiocarbamate and hard thioureide resonance forms, the latter formally resulting from delocalization of the nitrogen lone pair onto the sulfurs, and consequently their complexes tend to have a rich electrochemistry. Tetraethyl thiuramdisulfide (disulfiram or antabuse) has been used as a drug since the 1950s but it is only recently that dithiocarbamate complexes have been explored within the medicinal domain. Over the past two decades anti-cancer activity has been noted for gold and copper complexes, technetium and copper complexes have been used in PET-imaging, dithiocarbamates have been used to treat acute cadmium poisoning and copper complexes also have been investigated as SOD inhibitors. PMID:22931592

  13. Phenomenology of transionospheric pulse pairs: Further observations

    SciTech Connect

    Massey, R.S.; Holden, D.N.; Shao, X.

    1998-11-01

    We report on further observations of transionospheric pulse pairs (TIPPs), which are the most powerful transient radio signals observed by the Blackbeard broadband digital radio receiver on the ALEXIS satellite. The source of these signals is unknown but appears to be associated with thunderstorm activity. The signals do not resemble those reported for known lightning processes. We have previously reported observations of these events in the frequency band 28{endash}95 MHz. In this paper we report observations of TIPPs in the 117- to 166-MHz band, with the subsatellite point situated over the contiguous United States. The main results are that the measured pulse parameter statistics are nearly the same as reported for the low-frequency events, with the exception that the pulse separation distribution is biased toward smaller values in the high-frequency observations. The radiated power does not drop off appreciably even at 166 MHz, which further constrains the possible size and timescale of the source(s). We also report results of experiments designed to measure the apparent reflectivity of dry, flat ground at frequencies around 100 MHz. We find that the apparent reflectivity can exceed 90{percent}. This result helps to explain how the second pulse in a TIPP can have so much energy relative to the first. {copyright} 1998 American Geophysical Union

  14. Structural characterization of tick cement cones collected from in vivo and artificial membrane blood-fed Lone Star ticks (Amblyomma americanum).

    PubMed

    Bullard, Rebekah; Allen, Paige; Chao, Chien-Chung; Douglas, Jessica; Das, Pradipta; Morgan, Sarah E; Ching, Wei-Mei; Karim, Shahid

    2016-07-01

    The Lone Star tick, Amblyomma americanum, is endemic to the southeastern United States and capable of transmitting pathogenic diseases and causing non-pathogenic conditions. To remain firmly attached to the host, the tick secretes a proteinaceous matrix termed the cement cone which hardens around the tick's mouthparts to assist in the attachment of the tick as well as to protect the mouthparts from the host immune system. Cement cones collected from ticks on a host are commonly contaminated with host skin and hair making analysis of the cone difficult. To reduce the contamination found in the cement cone, we have adapted an artificial membrane feeding system used to feed long mouthpart ticks. Cones collected from in vivo and membrane fed ticks are analyzed to determine changes in the cone morphology. Comparisons of the cement cones using light microscopy shows similar structures and color however using scanning electron microscopy the cones have drastically different structures. The in vivo cones contain fibrils, sheets, and are heavily textured whereas cones from membrane fed ticks are remarkably smooth with no distinct structures. Analysis of the secondary protein structures using FTIR-ATR show both in vivo and membrane fed cement cones contain β sheets but only in vivo cement cones contain helical protein structures. Additionally, proteomic analysis using LC-MS/MS identifies many proteins including glycine rich proteins, metalloproteases, and protease inhibitors. Proteomic analysis of the cones identified both secreted and non-secreted tick proteins. Artificial membrane feeding is a suitable model for increased collection of cement cones for proteomic analysis however, structurally there are significant differences. PMID:27118479

  15. String pair production in non homogeneous backgrounds

    NASA Astrophysics Data System (ADS)

    Bolognesi, S.; Rabinovici, E.; Tallarita, G.

    2016-04-01

    We consider string pair production in non homogeneous electric backgrounds. We study several particular configurations which can be addressed with the Euclidean world-sheet instanton technique, the analogue of the world-line instanton for particles. In the first case the string is suspended between two D-branes in flat space-time, in the second case the string lives in AdS and terminates on one D-brane (this realizes the holographic Schwinger effect). In some regions of parameter space the result is well approximated by the known analytical formulas, either the particle pair production in non-homogeneous background or the string pair production in homogeneous background. In other cases we see effects which are intrinsically stringy and related to the non-homogeneity of the background. The pair production is enhanced already for particles in time dependent electric field backgrounds. The string nature enhances this even further. For spacial varying electrical background fields the string pair production is less suppressed than the rate of particle pair production. We discuss in some detail how the critical field is affected by the non-homogeneity, for both time and space dependent electric field backgrouds. We also comment on what could be an interesting new prediction for the small field limit. The third case we consider is pair production in holographic confining backgrounds with homogeneous and non-homogeneous fields.

  16. Partitioning of on-demand electron pairs

    NASA Astrophysics Data System (ADS)

    Ubbelohde, Niels; Hohls, Frank; Kashcheyevs, Vyacheslavs; Wagner, Timo; Fricke, Lukas; Kästner, Bernd; Pierz, Klaus; Schumacher, Hans W.; Haug, Rolf J.

    2015-01-01

    The on-demand generation and separation of entangled photon pairs are key components of quantum information processing in quantum optics. In an electronic analogue, the decomposition of electron pairs represents an essential building block for using the quantum state of ballistic electrons in electron quantum optics. The scattering of electrons has been used to probe the particle statistics of stochastic sources in Hanbury Brown and Twiss experiments and the recent advent of on-demand sources further offers the possibility to achieve indistinguishability between multiple sources in Hong-Ou-Mandel experiments. Cooper pairs impinging stochastically at a mesoscopic beamsplitter have been successfully partitioned, as verified by measuring the coincidence of arrival. Here, we demonstrate the splitting of electron pairs generated on demand. Coincidence correlation measurements allow the reconstruction of the full counting statistics, revealing regimes of statistically independent, distinguishable or correlated partitioning, and have been envisioned as a source of information on the quantum state of the electron pair. The high pair-splitting fidelity opens a path to future on-demand generation of spin-entangled electron pairs from a suitably prepared two-electron quantum-dot ground state.

  17. Validating silicon polytrodes with paired juxtacellular recordings: method and dataset

    PubMed Central

    Lopes, Gonçalo; Frazão, João; Nogueira, Joana; Lacerda, Pedro; Baião, Pedro; Aarts, Arno; Andrei, Alexandru; Musa, Silke; Fortunato, Elvira; Barquinha, Pedro; Kampff, Adam R.

    2016-01-01

    Cross-validating new methods for recording neural activity is necessary to accurately interpret and compare the signals they measure. Here we describe a procedure for precisely aligning two probes for in vivo “paired-recordings” such that the spiking activity of a single neuron is monitored with both a dense extracellular silicon polytrode and a juxtacellular micropipette. Our new method allows for efficient, reliable, and automated guidance of both probes to the same neural structure with micrometer resolution. We also describe a new dataset of paired-recordings, which is available online. We propose that our novel targeting system, and ever expanding cross-validation dataset, will be vital to the development of new algorithms for automatically detecting/sorting single-units, characterizing new electrode materials/designs, and resolving nagging questions regarding the origin and nature of extracellular neural signals. PMID:27306671

  18. Validating silicon polytrodes with paired juxtacellular recordings: method and dataset.

    PubMed

    Neto, Joana P; Lopes, Gonçalo; Frazão, João; Nogueira, Joana; Lacerda, Pedro; Baião, Pedro; Aarts, Arno; Andrei, Alexandru; Musa, Silke; Fortunato, Elvira; Barquinha, Pedro; Kampff, Adam R

    2016-08-01

    Cross-validating new methods for recording neural activity is necessary to accurately interpret and compare the signals they measure. Here we describe a procedure for precisely aligning two probes for in vivo "paired-recordings" such that the spiking activity of a single neuron is monitored with both a dense extracellular silicon polytrode and a juxtacellular micropipette. Our new method allows for efficient, reliable, and automated guidance of both probes to the same neural structure with micrometer resolution. We also describe a new dataset of paired-recordings, which is available online. We propose that our novel targeting system, and ever expanding cross-validation dataset, will be vital to the development of new algorithms for automatically detecting/sorting single-units, characterizing new electrode materials/designs, and resolving nagging questions regarding the origin and nature of extracellular neural signals. PMID:27306671

  19. Weird Stellar Pair Puzzles Scientists

    NASA Astrophysics Data System (ADS)

    2008-05-01

    Astronomers have discovered a speedy spinning pulsar in an elongated orbit around an apparent Sun-like star, a combination never seen before, and one that has them puzzled about how the strange system developed. Orbital Comparison Comparing Orbits of Pulsar and Its Companion to our Solar System. CREDIT: Bill Saxton, NRAO/AUI/NSF Click on image for full caption information and available graphics. "Our ideas about how the fastest-spinning pulsars are produced do not predict either the kind of orbit or the type of companion star this one has," said David Champion of the Australia Telescope National Facility. "We have to come up with some new scenarios to explain this weird pair," he added. Astronomers first detected the pulsar, called J1903+0327, as part of a long-term survey using the National Science Foundation's Arecibo radio telescope in Puerto Rico. They made the discovery in 2006 doing data analysis at McGill University, where Champion worked at the time. They followed up the discovery with detailed studies using the Arecibo telescope, the NSF's Robert C. Byrd Green Bank Telescope (GBT) in West Virginia, the Westerbork radio telescope in the Netherlands, and the Gemini North optical telescope in Hawaii. The pulsar, a city-sized superdense stellar corpse left over after a massive star exploded as a supernova, is spinning on its axis 465 times every second. Nearly 21,000 light-years from Earth, it is in a highly-elongated orbit that takes it around its companion star once every 95 days. An infrared image made with the Gemini North telescope in Hawaii shows a Sun-like star at the pulsar's position. If this is an orbital companion to the pulsar, it is unlike any companions of other rapidly rotating pulsars. The pulsar, a neutron star, also is unusually massive for its type. "This combination of properties is unprecedented. Not only does it require us to figure out how this system was produced, but the large mass may help us understand how matter behaves at extremely

  20. A Curious Pair of Galaxies

    NASA Astrophysics Data System (ADS)

    2009-03-01

    The ESO Very Large Telescope has taken the best image ever of a strange and chaotic duo of interwoven galaxies. The images also contain some surprises -- interlopers both far and near. ESO PR Photo 11a/09 A Curious Pair of Galaxies ESO PR Video 11a/09 Arp 261 zoom in ESO PR Video 11b/09 Pan over Arp 261 Sometimes objects in the sky that appear strange, or different from normal, have a story to tell and prove scientifically very rewarding. This was the idea behind Halton Arp's catalogue of Peculiar Galaxies that appeared in the 1960s. One of the oddballs listed there is Arp 261, which has now been imaged in more detail than ever before using the FORS2 instrument on ESO's Very Large Telescope. The image proves to contain several surprises. Arp 261 lies about 70 million light-years distant in the constellation of Libra, the Scales. Its chaotic and very unusual structure is created by the interaction of two galaxies that are engaged in a slow motion, but highly disruptive close encounter. Although individual stars are very unlikely to collide in such an event, the huge clouds of gas and dust certainly do crash into each other at high speed, leading to the formation of bright new clusters of very hot stars that are clearly seen in the picture. The paths of the existing stars in the galaxies are also dramatically disrupted, creating the faint swirls extending to the upper left and lower right of the image. Both interacting galaxies were probably dwarfs not unlike the Magellanic Clouds orbiting our own galaxy. The images used to create this picture were not actually taken to study the interacting galaxies at all, but to investigate the properties of the inconspicuous object just to the right of the brightest part of Arp 261 and close to the centre of the image. This is an unusual exploding star, called SN 1995N, that is thought to be the result of the final collapse of a massive star at the end of its life, a so-called core collapse supernova. SN 1995N is unusual because

  1. Pair creation in heavy ion channeling

    NASA Astrophysics Data System (ADS)

    Belov, N. A.; Harman, Z.

    2016-04-01

    Heavy ions channeled through crystals with multi-GeV kinetic energies can create electron-positron pairs. In the framework of the ion, the energy of virtual photons arising from the periodic crystal potential may exceed the threshold 2mec2. The repeated periodic collisions with the crystal ions yield high pair production rates. When the virtual photon frequency matches a nuclear transition in the ion, the production rate can be resonantly increased. In this two-step excitation-pair conversion scheme, the excitation rates are coherently enhanced, and scale approximately quadratically with the number of crystal sites along the channel.

  2. Enantioselective Sulfoxidation Catalyzed by a Bisguanidinium Diphosphatobisperoxotungstate Ion Pair.

    PubMed

    Ye, Xinyi; Moeljadi, Adhitya Mangala Putra; Chin, Kek Foo; Hirao, Hajime; Zong, Lili; Tan, Choon-Hong

    2016-06-13

    The first enantioselective tungstate-catalyzed oxidation reaction is presented. High enantioselectivities were achieved for a variety of drug-like phenyl and heterocyclic sulfides under mild conditions with H2 O2 , a cheap and environmentally friendly oxidant. Synthetic utility was demonstrated through the preparation of (S)-Lansoprazole, a commercial proton-pump inhibitor. The active ion-pair catalyst was identified to be bisguanidinium diphosphatobisperoxotungstate using Raman spectroscopy and computational studies. PMID:27150978

  3. Interactions between pairs of bacteriocins from lactic bacteria.

    PubMed

    Mulet-Powell, N; Lacoste-Armynot, A M; Viñas, M; Simeon de Buochberg, M

    1998-09-01

    Activity of pairs of crude extracts of lactic acid bacteria (LAB) containing different bacteriocins (nisin, pediocin AcH, lacticin 481, lactacin F, and lactacin B) was measured against 10 different indicator strains. Experiments were carried out both in liquid and on solid media. Both synergisms and antagonisms were observed. Lacticin 481 produced mainly antagonistic effects whereas pediocin AcH produced mainly synergistic effects. The use of more than one LAB bacteriocin as a combination biopreservative might be envisaged. PMID:9766080

  4. Nudged Elastic Band Simulations of Kink Pairs in Tungsten

    SciTech Connect

    Cereceda, D.; Marian, J.

    2015-01-16

    Atomistic techniques have been used to calculate energy barriers for dislocation motion that control the strength (yield stress and flow stress) of the material. In particular, the calculations focus on the change in enthalpy as a straight dislocation moves through the crystal lattice (the Peierls barrier) and kink pair formation enthalpy that controls the thermally activated double-kink mechanism important at low to moderate stresses. A novel means of assessing kink widths within atomistic simulations is introduced.

  5. Multi-user distribution of polarization entangled photon pairs

    NASA Astrophysics Data System (ADS)

    Trapateau, J.; Ghalbouni, J.; Orieux, A.; Diamanti, E.; Zaquine, I.

    2015-10-01

    We experimentally demonstrate multi-user distribution of polarization entanglement using commercial telecom wavelength division demultiplexers. The entangled photon pairs are generated from a broadband source based on spontaneous parametric down conversion in a periodically poled lithium niobate crystal using a double path setup employing a Michelson interferometer and active phase stabilisation. We test and compare demultiplexers based on various technologies and analyze the effect of their characteristics, such as losses and polarization dependence, on the quality of the distributed entanglement for three channel pairs of each demultiplexer. In all cases, we obtain a Bell inequality violation, whose value depends on the demultiplexer features. This demonstrates that entanglement can be distributed to at least three user pairs of a network from a single source. Additionally, we verify for the best demultiplexer that the violation is maintained when the pairs are distributed over a total channel attenuation corresponding to 20 km of optical fiber. These techniques are therefore suitable for resource-efficient practical implementations of entanglement-based quantum key distribution and other quantum communication network applications.

  6. Multi-user distribution of polarization entangled photon pairs

    SciTech Connect

    Trapateau, J.; Orieux, A.; Diamanti, E.; Zaquine, I.; Ghalbouni, J.

    2015-10-14

    We experimentally demonstrate multi-user distribution of polarization entanglement using commercial telecom wavelength division demultiplexers. The entangled photon pairs are generated from a broadband source based on spontaneous parametric down conversion in a periodically poled lithium niobate crystal using a double path setup employing a Michelson interferometer and active phase stabilisation. We test and compare demultiplexers based on various technologies and analyze the effect of their characteristics, such as losses and polarization dependence, on the quality of the distributed entanglement for three channel pairs of each demultiplexer. In all cases, we obtain a Bell inequality violation, whose value depends on the demultiplexer features. This demonstrates that entanglement can be distributed to at least three user pairs of a network from a single source. Additionally, we verify for the best demultiplexer that the violation is maintained when the pairs are distributed over a total channel attenuation corresponding to 20 km of optical fiber. These techniques are therefore suitable for resource-efficient practical implementations of entanglement-based quantum key distribution and other quantum communication network applications.

  7. Pair-production in inhomogeneous electric fields

    SciTech Connect

    Xue Shesheng

    2008-01-03

    This is a preliminary study on the rate of electron-positron pair production in spatially inhomogeneous electric fields. We study the rate in the Sauter field and compare it to the rate in the homogeneous field.

  8. Chromosomally-retained RNA mediates homologous pairing.

    PubMed

    Ding, Da-Qiao; Haraguchi, Tokuko; Hiraoka, Yasushi

    2012-01-01

    Pairing and recombination of homologous chromosomes are essential for ensuring correct segregation of chromosomes in meiosis. In S. pombe, chromosomes are first bundled at the telomeres (forming a telomere bouquet) and then aligned by oscillatory movement of the elongated "horsetail" nucleus. Telomere clustering and subsequent chromosome alignment promote pairing of homologous chromosomes. However, this telomere-bundled alignment of chromosomes cannot be responsible for the specificity of chromosome pairing. Thus, there must be some mechanism to facilitate recognition of homologous partners after telomere clustering. Recent studies in S. pombe have shown that RNA transcripts retained on the chromosome, or RNA bodies, may play a role in recognition of homologous chromosomes for pairing. Acting as fiducial markers of homologous loci they would abrogate the need for direct DNA sequence homology searching. PMID:23117617

  9. Atomic Collisions and free Lepton Pair Production

    SciTech Connect

    Gueclue, M.C.; Yilmaz, M.

    2005-10-26

    In this work, we have calculated the total cross sections of electron-positron pair production for the collisions of fully stripped gold ions for various energies. We have also compared our calculation with other methods.

  10. Alloy solution hardening with solute pairs

    DOEpatents

    Mitchell, John W.

    1976-08-24

    Solution hardened alloys are formed by using at least two solutes which form associated solute pairs in the solvent metal lattice. Copper containing equal atomic percentages of aluminum and palladium is an example.

  11. A Pair Polarimeter for High Energy Photons

    NASA Astrophysics Data System (ADS)

    Tedeschi, David; Wojtsekhowski, B.; Abbott, D.; Vlahovic, B.; Hotta, T.; Kohri, H.; Matsumura, T.; Mibe, T.; Nakano, T.; Yurita, T.; Zegers, R.; Khandaker, M.; Feldman, G.; O'Rielly, G. V.; Wood, M.; Asai, G.; Rudge, A.; Weilhammer, P.

    2001-10-01

    The physics program at the Thomas Jefferson National Accelerator Facility includes fundamental experiments with polarized photon beams in the GeV energy range. To measure the degree of photon polarization, a photon polarimeter based on the detection of e^+e^- pairs has been developed for use in Hall B and was recently tested at the LEPS facility at SPring-8 in Japan. The use of silicon micro-strip detectors allows for the first time the measurement of the angle correlation in electron-positron pair production by high energy photons incident on an amorphous converter. Theoretical calculations of the pair production process show an asymmetry σ_allel/σ_⊥ ~ 1.7 in a wide range of photon energies. Experimental results from the measurement of the pair asymmetry using 2 GeV photons from the SPring-8 facility will be presented.

  12. Spectra from pair-equilibrium plasmas

    NASA Technical Reports Server (NTRS)

    Zdziarski, A. A.

    1984-01-01

    A numerical model of relativistic nonmagnetized plasma with uniform temperature and electron density distributions is considered, and spectra from plasma in pair equilibrium are studied. A range of dimensionless temperature (T) greater than about 0.2 is considered. The spectra from low pair density plasmas in pair equilibrium vary from un-Comptonized bremsstrahlung spectra at Thomson cross section tau(N) much less than one to Comptonized bremsstrahlung spectra with tau(N) over one. For high pair density plasmas the spectra are flat for T greater than about one, and have broad intensity peaks at energy roughly equal to 3T for T less than one. In the latter region the total luminosity is approximately twice the annihilation luminosity. All spectra are flat in the X-ray region, in contradiction to observed AGN spectra. For dimensionless luminosity greater than about 100, the cooling time becomes shorter than the Thomson time.

  13. Robustness of quantum critical pairing against disorder

    NASA Astrophysics Data System (ADS)

    Kang, Jian; Fernandes, Rafael M.

    2016-06-01

    The remarkable robustness of high-temperature superconductors against disorder remains a controversial obstacle towards the elucidation of their pairing state. Indeed, experiments report a weak suppression rate of the transition temperature Tc with disorder, significantly smaller than the universal value predicted by extensions of the conventional theory of dirty superconductors. However, in many high-Tc compounds, superconductivity appears near a putative magnetic quantum critical point, suggesting that quantum fluctuations, which suppress coherent electronic spectral weight, may also promote unconventional pairing. Here we investigate theoretically the impact of disorder on such a quantum critical pairing state, considering the coupling of impurities both to the low-energy electronic states and to the pairing interaction itself. We find a significant reduction in the suppression rate of Tc with disorder near the magnetic quantum critical point, shedding new light on the nature of unconventional superconductivity in correlated materials.

  14. Non stationary pair model in blazar

    NASA Astrophysics Data System (ADS)

    Marcowith, Alexandre; Henri, Gilles; Renaud, Nicolas

    2001-09-01

    This article shortly present an improved version of pair models for X and gamma-ray emission from blazar jets. The radiations are generated through external and synchrotron Inverse Compton mechanisms in the vicinity of a super-massive black hole by an ultra-relativistic electron-positron pair plasma pervading a non-relativistic electron-proton jet (two-flow model). Non stationary solutions are found by solving simultaneously pair creation/annihilation, soft photon absorption and particle acceleration processes along the jet. The power supply necessary to re-accelerate particles is not treated in a self-consistent procedure but parametrised. Pair creation opacity effects can lead to interesting variability effects depending on the X-ray emission regimes. Multi-wavelength observations by INTEGRAL will provide tests for the model, and also for the matter content and variability mechanisms in compact sources.

  15. Ultrabright source of entangled photon pairs.

    PubMed

    Dousse, Adrien; Suffczyński, Jan; Beveratos, Alexios; Krebs, Olivier; Lemaître, Aristide; Sagnes, Isabelle; Bloch, Jacqueline; Voisin, Paul; Senellart, Pascale

    2010-07-01

    A source of triggered entangled photon pairs is a key component in quantum information science; it is needed to implement functions such as linear quantum computation, entanglement swapping and quantum teleportation. Generation of polarization entangled photon pairs can be obtained through parametric conversion in nonlinear optical media or by making use of the radiative decay of two electron-hole pairs trapped in a semiconductor quantum dot. Today, these sources operate at a very low rate, below 0.01 photon pairs per excitation pulse, which strongly limits their applications. For systems based on parametric conversion, this low rate is intrinsically due to the Poissonian statistics of the source. Conversely, a quantum dot can emit a single pair of entangled photons with a probability near unity but suffers from a naturally very low extraction efficiency. Here we show that this drawback can be overcome by coupling an optical cavity in the form of a 'photonic molecule' to a single quantum dot. Two coupled identical pillars-the photonic molecule-were etched in a semiconductor planar microcavity, using an optical lithography method that ensures a deterministic coupling to the biexciton and exciton energy states of a pre-selected quantum dot. The Purcell effect ensures that most entangled photon pairs are emitted into two cavity modes, while improving the indistinguishability of the two optical recombination paths. A polarization entangled photon pair rate of 0.12 per excitation pulse (with a concurrence of 0.34) is collected in the first lens. Our results open the way towards the fabrication of solid state triggered sources of entangled photon pairs, with an overall (creation and collection) efficiency of 80%. PMID:20613838

  16. Particle-number-projected thermal pairing

    SciTech Connect

    Nguyen Dinh Dang

    2007-12-15

    Particle-number projection is applied to the modified BCS (MBCS) theory. The resulting particle-number-projected MBCS theory, taking into account the effects due to fluctuations of particle and quasiparticle numbers at finite temperature, is tested within the exactly solvable multilevel model for pairing as well as the realistic {sup 120}Sn nucleus. The signature of the pseudogap in the crossover region above the critical temperature of superfluid-normal phase transition is discussed in terms of the pairing spectral function.

  17. Seniority zero pair coupled cluster doubles theory

    SciTech Connect

    Stein, Tamar; Henderson, Thomas M.; Scuseria, Gustavo E.

    2014-06-07

    Coupled cluster theory with single and double excitations accurately describes weak electron correlation but is known to fail in cases of strong static correlation. Fascinatingly, however, pair coupled cluster doubles (p-CCD), a simplified version of the theory limited to pair excitations that preserve the seniority of the reference determinant (i.e., the number of unpaired electrons), has mean field computational cost and is an excellent approximation to the full configuration interaction (FCI) of the paired space provided that the orbital basis defining the pairing scheme is adequately optimized. In previous work, we have shown that optimization of the pairing scheme in the seniority zero FCI leads to a very accurate description of static correlation. The same conclusion extends to p-CCD if the orbitals are optimized to make the p-CCD energy stationary. We here demonstrate these results with numerous examples. We also explore the contributions of different seniority sectors to the coupled cluster doubles (CCD) correlation energy using different orbital bases. We consider both Hartree-Fock and Brueckner orbitals, and the role of orbital localization. We show how one can pair the orbitals so that the role of the Brueckner orbitals at the CCD level is retained at the p-CCD level. Moreover, we explore ways of extending CCD to accurately describe strongly correlated systems.

  18. Migration of helium-pair in metals

    NASA Astrophysics Data System (ADS)

    Cao, J. L.; Geng, W. T.

    2016-09-01

    We have carried out a first-principles density functional theory investigation into the migration of both a single interstitial He and an interstitial He-pair in Fe, Mo, W, Cu, Pd, and Pt. We find the migration trajectories and barriers are determined predominantly by low-energy He-pair configurations which depend mainly on the energy state of a single He in different interstices. The migration barrier for a He-pair in bcc metals is always slightly higher than for a single He. Configurations of a He-pair in fcc metals are very complicated, due to the existence of interstitial sites with nearly identical energy for a single He. The migration barrier for a He-pair is slightly lower than (in Cu), or similar to (in Pd and Pt) a single He. The collective migrations of a He-pair are ensured by strong Hesbnd He interactions with strength-versus-distance forms resembling chemical bonds and can be described with Morse potentials.

  19. Pairing interaction effects in exciton level densities

    SciTech Connect

    Fu, C.Y.

    1989-01-01

    Recent progress in pairing corrections for exciton state-density formulas used in pre-compound nuclear reaction theories is reviewed. These correction factors are, strictly speaking, dependent on the nuclear excitation energy U and the exciton number n. A simple formula for (U,n)-dependent pairing corrections has been derived, based on the BCS pairing equations for constant single-particle spacing, for the exciton state-density formula for one kind of Fermion. It has been shown that the constant-pairing-energy correction used in standard state-density formulas, such U{sub 0} in Gilbert and Cameron, is a limiting case of the general (U,n)-dependent results. Spin cutoff factors with pairing effects were also obtained using the same theory and parameterized into an explicit (U,n)-dependent function, thereby defining a simple exciton level-density formula for applications in quantum mechanical precompound theories. Preliminary results from extending such simple pairing-interaction representations to level-density formulas for two kinds of Fermions are summarized. The results show that the ratios in the exciton level densities in the one-Fermion and two-Fermion approaches vary with both U and n, thus likely leading to differences in calculated compound to precompound ratios. However, the differences in the spin cutoff factors in the two cases are found to be rather small. 12 refs., 3 figs.

  20. Spectral similarity of unbound asteroid pairs

    NASA Astrophysics Data System (ADS)

    Wolters, Stephen D.; Weissman, Paul R.; Christou, Apostolis; Duddy, Samuel R.; Lowry, Stephen C.

    2014-04-01

    Infrared (IR) spectroscopy between 0.8 and 2.5 μ has been obtained for both components of three unbound asteroid pairs, using the NASA Infrared Telescope Facility with the SpeX instrument. Pair primary (2110) Moore-Sitterly is classified as an S-type following the Bus-DeMeo taxonomy; the classification for secondary (44612) 1999 RP27 is ambiguous: S/Sq/Q/K/L-type. Primary (10484) Hecht and secondary (44645) 1999 RC118 are classified as V-types. IR spectra for Moore-Sitterly and Hecht are each linked with available visual photometry. The classifications for primary (88604) 2001 QH293 and (60546) 2000 EE85 are ambiguous: S/Sq/Q/K/L-type. Subtle spectral differences between them suggest that the primary may have more weathered material on its surface. Dynamical integrations have constrained the ages of formation: 2110-44612 > 782 kyr; 10484-44645 = 348 (+823,-225) kyr; 88604-60546 = 925 (+842,-754) kyr. The spectral similarity of seven complete pairs is ranked in comparison with nearby background asteroids. Two pairs, 17198-229056 and 19289-278067, have significantly different spectra between the components, compared to the similarity of spectra in the background population. The other pairs are closer than typical, supporting an interpretation of each pair's formation from a common parent body.

  1. Multipair approach to pairing in nuclei

    NASA Astrophysics Data System (ADS)

    Sambataro, M.

    2012-06-01

    The ground state of a general pairing Hamiltonian for a finite nuclear system is constructed as a product of collective, real, distinct pairs. These are determined sequentially via an iterative variational procedure that resorts to diagonalizations of the Hamiltonian in restricted model spaces. Different applications of the method are provided that include comparisons with exact and projected BCS results. The quantities that are examined are correlation energies, occupation numbers, and pair transfer matrix elements. In a first application within the picket-fence model, the method is seen to generate the exact ground state for pairing strengths confined in a given range. Further applications of the method concern pairing in spherically symmetric mean fields and include simple exactly solvable models as well as some realistic calculations for middle-shell Sn isotopes. In the latter applications, two different ways of defining the pairs are examined: either with J=0 or with no well defined angular momentum. The second choice is revealed to be more effective, leading, under some circumstances, to solutions that are basically exact.

  2. Frustrated Lewis pairs: from concept to catalysis.

    PubMed

    Stephan, Douglas W

    2015-02-17

    CONSPECTUS: Frustrated Lewis pair (FLP) chemistry has emerged in the past decade as a strategy that enables main-group compounds to activate small molecules. This concept is based on the notion that combinations of Lewis acids and bases that are sterically prevented from forming classical Lewis acid-base adducts have Lewis acidity and basicity available for interaction with a third molecule. This concept has been applied to stoichiometric reactivity and then extended to catalysis. This Account describes three examples of such developments: hydrogenation, hydroamination, and CO2 reduction. The most dramatic finding from FLP chemistry was the discovery that FLPs can activate H2, thus countering the long-existing dogma that metals are required for such activation. This finding of stoichiometric reactivity was subsequently evolved to employ simple main-group species as catalysts in hydrogenations. While the initial studies focused on imines, subsequent studies uncovered FLP catalysts for a variety of organic substrates, including enamines, silyl enol ethers, olefins, and alkynes. Moreover, FLP reductions of aromatic anilines and N-heterocycles have been developed, while very recent extensions have uncovered the utility of FLP catalysts for ketone reductions. FLPs have also been shown to undergo stoichiometric reactivity with terminal alkynes. Typically, either deprotonation or FLP addition reaction products are observed, depending largely on the basicity of the Lewis base. While a variety of acid/base combinations have been exploited to afford a variety of zwitterionic products, this reactivity can also be extended to catalysis. When secondary aryl amines are employed, hydroamination of alkynes can be performed catalytically, providing a facile, metal-free route to enamines. In a similar fashion, initial studies of FLPs with CO2 demonstrated their ability to capture this greenhouse gas. Again, modification of the constituents of the FLP led to the discovery of reaction

  3. Hidden Pair of Supermassive Black Holes

    NASA Astrophysics Data System (ADS)

    Kohler, Susanna

    2015-08-01

    Could a pair of supermassive black holes (SMBHs) be lurking at the center of the galaxy Mrk 231? A recent study finds that this may be the case and the unique spectrum of this galaxy could be the key to discovering more hidden binary SMBH systems.Where Are the Binary Supermassive Black Holes?Its believed that most, if not all, galaxies have an SMBH at their centers. As two galaxies merge, the two SMBHs should evolve into a closely-bound binary system before they eventually merge. Given the abundance of galaxy mergers, we would expect to see the kinematic and visual signatures of these binary SMBHs among observed active galactic nuclei yet such evidence for sub-parsec binary SMBH systems remains scarce and ambiguous. This has led researchers to wonder: is there another way that we might detect these elusive systems?A collaboration led by Chang-Shuo Yan (National Astronomical Observatories, Chinese Academy of Sciences) thinks that there is. The group suggests that these systems might have distinct signatures in their optical-to-UV spectra, and they identify a system that might be just such a candidate: Mrk 231.A Binary CandidateProposed model of Mrk 231. Two supermassive black holes, each with their own mini-disk, orbit each other in the center of a circumbinary disk. The secondary black hole has cleared gap in the circumbinary disk as a result of its orbit around the primary black hole. [Yan et al. 2015]Mrk 231 is a galaxy with a disturbed morphology and tidal tails strong clues that it might be in the final stages of a galactic merger. In addition to these signs, Mrk 231 also has an unusual spectrum for a quasar: its continuum emission displays an unexpected drop in the near-UV band.Yan and her collaborators propose that the odd behavior of Mrk 231s spectrum can be explained if the center of the galaxy houses a pair of SMBHs each with its own mini accretion disk surrounded by a circumbinary accretion disk. As the secondary SMBH orbits the primary SMBH (with a

  4. An essential non-Watson-Crick base pair motif in 3'UTR to mediate selenoprotein translation.

    PubMed Central

    Walczak, R; Carbon, P; Krol, A

    1998-01-01

    The SECIS element is an RNA hairpin in the 3'UTR of selenoprotein mRNAs required for decoding UGA selenocysteine codons. Our experimentally derived 2D structure model for the SECIS RNA revealed the conservation of four consecutive non-Watson-Crick base pairs, with a central G.A/A.G tandem. The present study was dedicated to gaining insight into the role of this quartet of base pairs. The effects of mutations introduced into the SECIS quartet of the glutathione peroxidase (GPx) cDNA, an enzyme with selenocysteine in its active center, were reported in vivo by the GPx activity. The detrimental consequence of an all-Watson-Crick mutant quartet disclosed the paramount importance of the non-Watson-Crick base pairs for GPx activity. Next, structure probing established that base pair changes in the central G.A/A.G tandem, predicted by the model to be structurally unfavorable, effectively led to local opening of the helix at the quartet. A concomitant abolition of GPx activity was observed, arising from translational impairment of full-length GPx. In contrast, an isosteric base pair replacement in the tandem did not affect base pairing in the quartet, leading to an almost wt GPx activity. Collectively, the data provided conclusive evidence for the functional relevance of these non-Watson-Crick base pairs in vivo, thus identifying a noncanonical RNA motif crucial to SECIS function in mediating selenoprotein translation. Within the quartet, the prominent requirement for the central G.A/A.G tandem is highlighted, our previous structural model and the mutagenesis data presented here strongly arguing in favor of a sheared arrangement for the G.A base pairs. The SECIS RNA is therefore another member to be added to the growing list of RNAs containing building blocks of non-Watson-Crick base pairs, required for structure and/or function. PMID:9436910

  5. Independent pair parton interactions model of hadron interactions

    NASA Astrophysics Data System (ADS)

    Dremin, I. M.; Nechitailo, V. A.

    2004-08-01

    A model of independent pair parton interactions is proposed, according to which hadron interactions are represented by a set of independent binary parton collisions. The final multiplicity distribution is described by a convolution of the negative binomial distributions in each of the partonic collisions. As a result, it is given by a weighted sum of negative binomial distributions with parameters multiplied by the number of active pairs. Its shape and moments are considered. Experimental data on multiplicity distributions in high energy pp¯ processes are well fitted by these distributions. Predictions for the CERN Large Hadron Collider and higher energies are presented. The difference between e+e- and pp¯ processes is discussed.

  6. Variability in the amount of homoeologous pairing among F1 hybrids.

    PubMed

    Poggio, Lidia; Greizerstein, Eduardo; Ferrari, María

    2016-01-01

    Genes involved in the exclusive pairing of homologous chromosomes have been described in several polyploid species but little is known about the activity of these genes in diploids (which have only one dose of each homoeologous genome). Analysis of the meiotic behaviour of species, natural and artificial hybrids and polyploids of Glandularia suggests that, in allopolyploids where homoeologous genomes are in two doses, regulator genes prevent homoeologous pairing. The different meiotic phenotypes in diploid F1 hybrids between Glandularia pulchella and Glandularia incisa strongly suggest that these pairing regulator genes possess an incomplete penetrance when homoeologous genomes are in only one dose. Moreover, the meiotic analysis of natural and artificial F1 hybrids suggests that the genetic constitution of parental species influences the activity of pairing regulator genes and is mainly responsible for variability in the amount of homoeologous pairing observed in diploid hybrids. In Glandularia, the pairing regulator genes originated in South American diploid species. The cytogenetic characteristics of this genus make it a good model to analyse and explore in greater depth the activity of pairing regulator genes at different ploidy levels. PMID:27255515

  7. Variability in the amount of homoeologous pairing among F1 hybrids

    PubMed Central

    Poggio, Lidia; Greizerstein, Eduardo; Ferrari, María

    2016-01-01

    Genes involved in the exclusive pairing of homologous chromosomes have been described in several polyploid species but little is known about the activity of these genes in diploids (which have only one dose of each homoeologous genome). Analysis of the meiotic behaviour of species, natural and artificial hybrids and polyploids of Glandularia suggests that, in allopolyploids where homoeologous genomes are in two doses, regulator genes prevent homoeologous pairing. The different meiotic phenotypes in diploid F1 hybrids between Glandularia pulchella and Glandularia incisa strongly suggest that these pairing regulator genes possess an incomplete penetrance when homoeologous genomes are in only one dose. Moreover, the meiotic analysis of natural and artificial F1 hybrids suggests that the genetic constitution of parental species influences the activity of pairing regulator genes and is mainly responsible for variability in the amount of homoeologous pairing observed in diploid hybrids. In Glandularia, the pairing regulator genes originated in South American diploid species. The cytogenetic characteristics of this genus make it a good model to analyse and explore in greater depth the activity of pairing regulator genes at different ploidy levels. PMID:27255515

  8. Pairing in a dry Fermi sea

    PubMed Central

    Maier, T. A; Staar, P.; Mishra, V.; Chatterjee, U.; Campuzano, J. C.; Scalapino, D. J.

    2016-01-01

    In the traditional Bardeen–Cooper–Schrieffer theory of superconductivity, the amplitude for the propagation of a pair of electrons with momentum k and −k has a log singularity as the temperature decreases. This so-called Cooper instability arises from the presence of an electron Fermi sea. It means that an attractive interaction, no matter how weak, will eventually lead to a pairing instability. However, in the pseudogap regime of the cuprate superconductors, where parts of the Fermi surface are destroyed, this log singularity is suppressed, raising the question of how pairing occurs in the absence of a Fermi sea. Here we report Hubbard model numerical results and the analysis of angular-resolved photoemission experiments on a cuprate superconductor. In contrast to the traditional theory, we find that in the pseudogap regime the pairing instability arises from an increase in the strength of the spin–fluctuation pairing interaction as the temperature decreases rather than the Cooper log instability. PMID:27312569

  9. Terminal Area Procedures for Paired Runways

    NASA Technical Reports Server (NTRS)

    Lozito, Sandy

    2011-01-01

    Parallel Runway operations have been found to increase capacity within the National Airspace (NAS) however, poor visibility conditions reduce this capacity [1]. Much research has been conducted to examine the concepts and procedures related to parallel runways however, there has been no investigation of the procedures associated with the strategic and tactical pairing of aircraft for these operations. This study developed and examined the pilot and controller procedures and information requirements for creating aircraft pairs for parallel runway operations. The goal was to achieve aircraft pairing with a temporal separation of 15s(+/- 10s error) at a coupling point that is about 12 nmi from the runway threshold. Two variables were explored for the pilot participants: Two levels of flight deck automation (current-day flight deck automation, and a prototype future automation) as well as two flight deck displays that assisted in pilot conformance monitoring. The controllers were also provided with automation to help create and maintain aircraft pairs. Data showed that the operations in this study were found to be acceptable and safe. Workload when using the pairing procedures and tools was generally low for both controllers and pilots, and situation awareness (SA) was typically moderate to high. There were some differences based upon the display and automation conditions for the pilots. Future research should consider the refinement of the concepts and tools for pilot and controller displays and automation for parallel runway concepts.

  10. Radical-pair based avian magnetoreception

    NASA Astrophysics Data System (ADS)

    Procopio, Maria; Ritz, Thorsten

    2014-03-01

    Behavioural experiments suggest that migratory birds possess a magnetic compass sensor able to detect the direction of the geomagnetic. One hypothesis for the basis of this remarkable sensory ability is that the coherent quantum spin dynamics of photoinduced radical pair reactions transduces directional magnetic information from the geomagnetic field into changes of reaction yields, possibly involving the photoreceptor cryptochrome in the birds retina. The suggested radical-pair based avian magnetoreception has attracted attention in the field of quantum biology as an example of a biological sensor which might exploit quantum coherences for its biological function. Investigations on such a spin-based sensor have focussed on uncovering the design features for the design of a biomimetic magnetic field sensor. We study the effects of slow fluctuations in the nuclear spin environment on the directional signal. We quantitatively evaluate the robustness of signals under fluctuations on a timescale longer than the lifetime of a radical pair, utilizing two models of radical pairs. Our results suggest design principles for building a radical-pair based compass sensor that is both robust and highly directional sensitive.

  11. Pair creation of black holes during inflation

    NASA Astrophysics Data System (ADS)

    Bousso, Raphael; Hawking, Stephen W.

    1996-11-01

    Black holes came into existence together with the universe through the quantum process of pair creation in the inflationary era. We present the instantons responsible for this process and calculate the pair creation rate from the no boundary proposal for the wave function of the universe. We find that this proposal leads to physically sensible results, which fit in with other descriptions of pair creation, while the tunneling proposal makes unphysical predictions. We then describe how the pair-created black holes evolve during inflation. In the classical solution, they grow with the horizon scale during the slow roll down of the inflaton field; this is shown to correspond to the flux of field energy across the horizon according to the first law of black hole mechanics. When quantum effects are taken into account, however, it is found that most black holes evaporate before the end of inflation. Finally, we consider the pair creation of magnetically charged black holes, which cannot evaporate. In standard Einstein-Maxwell theory we find that their number in the presently observable universe is exponentially small. We speculate how this conclusion may change if dilatonic theories are applied.

  12. On the analysis of phylogenetically paired designs

    PubMed Central

    Funk, Jennifer L; Rakovski, Cyril S; Macpherson, J Michael

    2015-01-01

    As phylogenetically controlled experimental designs become increasingly common in ecology, the need arises for a standardized statistical treatment of these datasets. Phylogenetically paired designs circumvent the need for resolved phylogenies and have been used to compare species groups, particularly in the areas of invasion biology and adaptation. Despite the widespread use of this approach, the statistical analysis of paired designs has not been critically evaluated. We propose a mixed model approach that includes random effects for pair and species. These random effects introduce a “two-layer” compound symmetry variance structure that captures both the correlations between observations on related species within a pair as well as the correlations between the repeated measurements within species. We conducted a simulation study to assess the effect of model misspecification on Type I and II error rates. We also provide an illustrative example with data containing taxonomically similar species and several outcome variables of interest. We found that a mixed model with species and pair as random effects performed better in these phylogenetically explicit simulations than two commonly used reference models (no or single random effect) by optimizing Type I error rates and power. The proposed mixed model produces acceptable Type I and II error rates despite the absence of a phylogenetic tree. This design can be generalized to a variety of datasets to analyze repeated measurements in clusters of related subjects/species. PMID:25750719

  13. Probing the tides in interacting galaxy pairs

    NASA Technical Reports Server (NTRS)

    Borne, Kirk D.

    1990-01-01

    Detailed spectroscopic and imaging observations of colliding elliptical galaxies revealed unmistakable diagnostic signatures of the tidal interactions. It is possible to compare both the distorted luminosity distributions and the disturbed internal rotation profiles with numerical simulations in order to model the strength of the tidal gravitational field acting within a given pair of galaxies. Using the best-fit numerical model, one can then measure directly the mass of a specific interacting binary system. This technique applies to individual pairs and therefore complements the classical methods of measuring the masses of galaxy pairs in well-defined statistical samples. The 'personalized' modeling of galaxy pairs also permits the derivation of each binary's orbit, spatial orientation, and interaction timescale. Similarly, one can probe the tides in less-detailed observations of disturbed galaxies in order to estimate some of the physical parameters for larger samples of interacting galaxy pairs. These parameters are useful inputs to the more universal problems of (1) the galaxy merger rate, (2) the strength and duration of the driving forces behind tidally stimulated phenomena (e.g., starbursts and maybe quasi steller objects), and (3) the identification of long-lived signatures of interaction/merger events.

  14. Pairing in a dry Fermi sea

    DOE PAGESBeta

    Maier, Thomas A.; Staar, Peter; Mishra, V.; Chatterjee, Utpal; Campuzano, J. C.; Scalapino, Douglas J.

    2016-06-17

    In the traditional Bardeen–Cooper–Schrieffer theory of superconductivity, the amplitude for the propagation of a pair of electrons with momentum k and -k has a log singularity as the temperature decreases. This so-called Cooper instability arises from the presence of an electron Fermi sea. It means that an attractive interaction, no matter how weak, will eventually lead to a pairing instability. However, in the pseudogap regime of the cuprate superconductors, where parts of the Fermi surface are destroyed, this log singularity is suppressed, raising the question of how pairing occurs in the absence of a Fermi sea. In this paper, wemore » report Hubbard model numerical results and the analysis of angular-resolved photoemission experiments on a cuprate superconductor. Finally, in contrast to the traditional theory, we find that in the pseudogap regime the pairing instability arises from an increase in the strength of the spin–fluctuation pairing interaction as the temperature decreases rather than the Cooper log instability.« less

  15. Electron pair emission from surfaces: Intensity relations

    NASA Astrophysics Data System (ADS)

    Schumann, F. O.; Aliaev, Y.; Kostanovskiy, I.; Di Filippo, G.; Wei, Z.; Kirschner, J.

    2016-06-01

    The emission of an electron pair upon single-photon absorption requires a finite electron-electron interaction. Therefore, double photoemission is a particularly sensitive tool to study the electron correlation in matter. This is supported by a recent theoretical work which predicts that the pair intensity is a direct reflection of the correlation strength. In order to explore the validity of this statement, we performed a study on a variety of materials. Among them are noble metals, transition metals, and insulators. The latter include transition metal oxides such as CoO and NiO which are also termed highly correlated. We find an increased pair emission rate of NiO and CoO compared to the metals which reach a factor of 10. We also discovered that an increase of the coincidence intensity is accompanied by an increase in the singles count rate. This demonstrates that the electron pair emission is an efficient process at surfaces contributing up to 15 % to the single-electron emission in double photoemission. We performed also electron pair emission studies upon primary electron impact and find similar intensity relations.

  16. Spontaneous pairing and cooperative movements of micro-particles in a two dimensional plasma crystal

    SciTech Connect

    Zhdanov, S. K.; Couëdel, L.; Nosenko, V.; Thomas, H. M.; Morfill, G. E.

    2015-05-15

    In an argon plasma of 20 W rf discharge at a pressure of 1.38 Pa, a stable highly ordered monolayer of microparticles is suspended. We observe spontaneous particle pairing when suddenly reducing the gas pressure. Special types of dynamical activity, in particular, entanglement and cooperative movements of coupled particles have been registered. In the course of the experiment first appeared single vertical pairs of particles, in further they gradually accumulated causing melting of the entire crystal. To record pairing events, the particle suspension is side-view imaged using a vertically extended laser sheet. The long-lasting pre-melting phase assured the credible recording and identification of isolated particle pairs. The high monolayer charge density is crucial to explain the spontaneous pairing events observed in our experiments as the mutual repulsion between the particles comprising the monolayer make its vertical extend thicker.

  17. Cooper-pair splitter: towards an efficient source of spin-entangled EPR pairs

    NASA Astrophysics Data System (ADS)

    Schonenberger, Christian

    2011-03-01

    In quantum mechanics the properties of two and more particles can be entangled. In basic science pairs of entangled particles, so called Einstein-Podolsky-Rosen (EPR) pairs, play a special role as toy objects for fundamental studies. They provide such things as ``spooky interaction at distance,'' but they also enable secure encoding and teleportation and are thus important for applications in quantum information technology. Whereas EPR pairs of photons can be generated by parametric down conversion (PDC) in a crystal, a similar source for EPR pairs of electrons does not exists yet. In several theory papers, it has been suggested to use a superconductor for this purpose. The superconducting ground state is formed by a condensate of Cooper-pairs which are electron pairs in a spin-singlet state. Since there are many Cooper pairs in a metallic superconductor like Al, the main tasks are to extract Cooper pairs one by one and to split them into different arms. A controlled and efficient splitting is possible if one makes use of Coulomb interaction. This has recently be demonstrated by two groups [2-4] using hybrid quantum-dot devices with both superconducting and normal metal contacts. In the present talk, I will discuss the Cooper-pair splitter results from the Basel-Budapest-Copenhagen team and compare with the other experiments. As an outlook we discuss approaches that aim at entanglement detection. The Cooper pair splitter holds great promises because very large splitting efficiencies approaching 100% and large pair current rates appear feasible. This work has been done by L. Hofstetter, S. Csonka, A. Geresdi, M. Aagesen, J. Nygard and C. Schönenberger

  18. Theoretical analysis of novel fiber grating pair

    NASA Astrophysics Data System (ADS)

    Wang, Liao; Jia, Hongzhi; Fang, Liang; You, Bei

    2016-06-01

    A novel fiber grating pair that consists of a conventional long-period fiber grating and a fiber Bragg cladding grating (FBCG) is proposed. The FBCG is a new type of fiber grating in which refractive index modulation is formed in the cladding. Through the coupled-mode theory, we accurately calculate the coupling coefficients between modes supported in the fibers. And some other mode coupling features in the fiber cladding gratings are analyzed in detail. The calculation of the modes involved in this paper is based on a model of three-layer step-index fiber geometry. Then, we have investigated the sensitivity characteristics for variation of the modulation strengths of the fiber Bragg cladding gratings' resonance peaks and the long-period cladding gratings' (LPCGs) dual resonant peaks. Finally, the modulation strength sensitivity of the grating pair's three resonant peaks is demonstrated, and the results indicate that these grating pairs may find potential applications in optical fiber sensing.

  19. Entropy, area, and black hole pairs

    NASA Astrophysics Data System (ADS)

    Hawking, S. W.; Horowitz, Gary T.; Ross, Simon F.

    1995-04-01

    We clarify the relation between gravitational entropy and the area of horizons. We first show that the entropy of an extreme Reissner-Nordström black hole is zero, despite the fact that its horizon has nonzero area. Next, we consider the pair creation of extremal and nonextremal black holes. It is shown that the action which governs the rate of this pair creation is directly related to the area of the acceleration horizon and (in the nonextremal case) the area of the black hole event horizon. This provides a simple explanation of the result that the rate of pair creation of nonextreme black holes is enhanced by precisely the black hole entropy. Finally, we discuss black hole annihilation, and argue that Planck scale remnants are not sufficient to preserve unitarity in quantum gravity.

  20. Thermodynamics of pairing transition in hot nuclei

    NASA Astrophysics Data System (ADS)

    Liu, Lang; Zhang, Zhen-Hua; Zhao, Peng-Wei

    2015-10-01

    The pairing correlations in hot nuclei 162Dy are investigated in terms of the thermodynamical properties by covariant density functional theory. The thermodynamical quantities are evaluated by the canonical ensemble theory and the paring correlations are treated by a shell-model-like approach, in which the particle number is conserved exactly. An S-shaped heat capacity curve as a function of temperature has been obtained. The properties of hot nuclei, such as entropy and level density are studied in terms of defined seniority component. It is found that the one-pair-broken states play crucial roles in the appearance of the S shape of the heat capacity curve. Moreover, due to the effect of the particle-number conservation, the pairing gap varies smoothly with the temperature, which indicates a gradual transition from the superfluid to the normal state.