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Sample records for active lone pair

  1. 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

  2. The Importance of Stereochemically Active Lone Pairs For Influencing Pb(II) and As(III) Protein Binding

    PubMed Central

    Neupane, Kosh P.; De Gioia, Luca

    2012-01-01

    Heavy metal toxicity is a worldwide problem which is associated with the metal’s high affinity for thiolate rich proteins. Despite the tremendous toxicity concern, the mode of binding of As(III) and Pb(II) to proteins is poorly understood. To clarify the requirements for toxic metal binding to metalloregulatory sensor proteins such as As(III) in ArsR/ArsD and Pb(II) in PbrR or replacing Zn(II) in δ-aminolevulinc acid dehydratase (ALAD), we have employed computational and experimental methods examining these heavy metals binding to designed peptide models. The computational results show that the mode of coordination of As(III) and Pb(II) is greatly influenced by the steric bulk within the second coordination environment of the metal. The proposed basis of this selectivity is the large size of the ion and, most important, the influence of the stereochemically active lone pair in hemi-directed complexes of the metal ion as being crucial. The experimental data show that switching a bulky leucine layer above the metal binding site by a smaller alanine residue enhances the Pb(II) binding affinity by a factor of five supporting experimentally this lone pair steric hindrance hypothesis. These complementary approaches demonstrate the potential importance of a stereochemically active lone pair as a metal recognition mode in proteins and, specifically, how the second coordination sphere environment affects the affinity and selectivity of protein targets by certain toxic ions. PMID:22231489

  3. 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

  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.

  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. View of lone electron pairs and their role in structural chemistry.

    PubMed

    Brown, I David

    2011-11-17

    Nonbonding valence electrons, better known as lone pairs, are found in all anions as well as in cations in their lower oxidation states. In this paper the properties of lone pairs are analyzed using a bond valence model defined in terms of a core-and-valence-shell picture, which can be reduced to the point charges of the ionic model. A bond is defined in terms of the electrostatic flux linking the atoms. When the lone pairs are inactive, they are uniformly distributed around the valence shell and the ion behaves like a main group ion that has no lone pairs. In this state it can be assigned a bonding strength that obeys the valence matching rule (for stable bonds the cation and anion bonding strengths should not differ by more than a factor of 2). However, when an ion with a lone pair has a bonding strength less than half that of the counterion, it has the flexibility to form a stronger bond by converting lone pair electron density to bonding electron density in the region where the valence shells overlap. To conserve the number of lone pairs, bonding electron density elsewhere in the valence shell is converted to lone pairs. The result is the adoption of an anisotropic coordination environment with fewer bonds but bonds whose enhanced strength matches the higher bonding strength of the counterion. This analysis raises questions about the validity of a number of traditional ideas on the nature of chemical bonds. It shows that lone pairs do not form dative bonds. In a neutral molecule, the base function that is often attributed to a lone pair is always accompanied by an acid function, and both functions must be simultaneously activated. Electron-pair bonds, which are found only around strongly bonding cations, normally result in the formation of molecules, explaining why the models developed to describe molecular structures are unable to give good descriptions of extended crystal structures.

  7. 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

  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. Molecular electrostatics for probing lone pair-π interactions.

    PubMed

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

    2013-11-14

    An electrostatics-based approach has been proposed for probing the weak interactions between lone pair containing molecules and π deficient molecular systems. For electron-rich molecules, the negative minima in molecular electrostatic potential (MESP) topography give the location of electron localization and the MESP value at the minimum (Vmin) quantifies the electron-rich character of that region. Interactive behavior of a lone pair bearing molecule with electron deficient π-systems, such as hexafluorobenzene, 1,3,5-trinitrobenzene, 2,4,6-trifluoro-1,3,5-triazine and 1,2,4,5-tetracyanobenzene explored within DFT brings out good correlation of the lone pair-π interaction energy (E(int)) with the Vmin value of the electron-rich system. Such interaction is found to be portrayed well with the Electrostatic Potential for Intermolecular Complexation (EPIC) model. On the basis of the precise location of MESP minimum, a prediction for the orientation of a lone pair bearing molecule with an electron deficient π-system is possible in the majority of the cases studied.

  11. 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.

  12. Hydrolysis of cyclic phosphoramides. Evidence for syn lone pair catalysis.

    PubMed

    Núñez, Andrés; Berroterán, Dyanna; Núñez, Oswaldo

    2003-07-01

    Hydrolysis between 1.5 < pH < 4 of five and six membered cyclic phosphoramides has been followed by UV and 3'PNMR spectroscopy. The observed rates fit the equation: k(obs) = k(H2O) [H+]/([H+] + Ka) + k'(H2O), where k(H2O) and k'(H2O) are the pseudo first-order rate constants of water attack on the protonated phosphoramide and its unprotonated form, respectively, and Ka is the phosphoramide acidity equilibrium constant. Although, faster hydrolysis rates on the five membered ring are expected due to the energy released in going from a strained cyclic to a "strained free" trigonal-bipyramidal-pentacoordinated intermediate, with one of the cyclic nitrogens occupying the apical position. these compounds react slightly faster (k(H2O) values) but slower regarding the k'(H2O) values than the six membered analogs. The balance in reactivity is attributed to the additional stability obtained in the six membered cyclic compounds by a syn orientation of the two lone pairs of the cyclic nitrogen to the water attack. This stabilization does not exist in the five membered phospholidines since the water attack is perpendicular to the electron pairs of the cyclic nitrogen. In agreement with the incoming water orientation, the product ratios from the hydrolysis show that in the five membered rings the main product is the one produced by endocyclic cleavage; meanwhile, in the six membered cyclic phospholines the kinetic product is the one produced by exocyclic cleavage. The syn orientation of two electron pairs on nitrogen stabilizes the transition state of water approach to the phosphoramides by ca. 3 kcal mol(-1) when compared to the orthogonal attack. PMID:12945698

  13. 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.

  14. 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

  15. 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.

  16. 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.

  17. First-principles studies of lone-pair-induced distortions in epitaxial phases of perovskite SnTiO3 and PbTiO3

    NASA Astrophysics Data System (ADS)

    Pitike, Krishna Chaitanya; Parker, William D.; Louis, Lydie; Nakhmanson, Serge M.

    2015-01-01

    In this project, a computational investigation utilizing density functional theory methods is carried out to elucidate the differences in stereochemical lone-pair activity of Pb2 + and Sn2 + A-site ions in epitaxial polar ATiO3 perovskites. The contrasting tendencies for the lead- and tin-based compounds to form different phases—A m m 2 for the former versus C m for the latter—under biaxial tension are connected to the amount of charge concentrated within the lone pair lobes. Specifically, phases are energetically more preferable when as much charge as possible is dissipated out of the lobe, thus lowering the cost of Coulomb repulsions between the lone pair and the surrounding oxygen cage. Although a strong band-gap tuning was predicted in (fictitious) SnTiO3 during the tensile P 4 m m →C m phase transformation [see W. D. Parker, J. M. Rondinelli, and S. M. Nakhmanson, Phys. Rev. B 84, 245126 (2011), 10.1103/PhysRevB.84.245126], we find the same effect to be considerably weaker in PbTiO3. The insights gained about the electronic-level underpinnings of transitional behavior in such lone-pair-active epitaxial ferroelectrics may be used in the design of a new generation of more efficient electromechanical and electrooptical devices.

  18. Binary group 15 polyazides. structural characterization of [Bi(N3)4]-, [Bi(N3)5]2-, [bipy·Bi(N3)5]2-, [Bi(N3)6]3-, bipy·As(N3)3, bipy·Sb(N3)3, and [(bipy)2·Bi(N3)3]2 and on the lone pair activation of valence electrons.

    PubMed

    Haiges, Ralf; Rahm, Martin; Dixon, David A; Garner, Edward B; Christe, Karl O

    2012-01-16

    The binary group 15 polyazides As(N(3))(3), Sb(N(3))(3), and Bi(N(3))(3) were stabilized by either anion or donor-acceptor adduct formation. Crystal structures are reported for [Bi(N(3))(4)](-), [Bi(N(3))(5)](2-), [bipy·Bi(N(3))(5)](2-), [Bi(N(3))(6)](3-), bipy·As(N(3))(3), bipy·Sb(N(3))(3), and [(bipy)(2)·Bi(N(3))(3)](2). The lone valence electron pair on the central atom of these pnictogen(+III) compounds can be either sterically active or inactive. The [Bi(N(3))(5)](2-) anion possesses a sterically active lone pair and a monomeric pseudo-octahedral structure with a coordination number of 6, whereas its 2,2'-bipyridine adduct exhibits a pseudo-monocapped trigonal prismatic structure with CN 7 and a sterically inactive lone pair. Because of the high oxidizing power of Bi(+V), reactions aimed at Bi(N(3))(5) and [Bi(N(3))(6)](-) resulted in the reduction to bismuth(+III) compounds by [N(3)](-). The powder X-ray diffraction pattern of Bi(N(3))(3) was recorded at 298 K and is distinct from that calculated for Sb(N(3))(3) from its single-crystal data at 223 K. The [(bipy)(2)·Bi(N(3))(3)](2) adduct is dimeric and derived from two BiN(8) square antiprisms sharing an edge consisting of two μ(1,1)-bridging N(3) ligands and with bismuth having CN 8 and a sterically inactive lone pair. The novel bipy·As(N(3))(3) and bipy·Sb(N(3))(3) adducts are monomeric and isostructural and contain a sterically active lone pair on their central atom and a CN of 6. A systematic quantum chemical analysis of the structures of these polyazides suggests that the M06-2X density functional is well suited for the prediction of the steric activity of lone pairs in main-group chemistry. Furthermore, it was found that the solid-state structures can strongly differ from those of the free gas-phase species or those in solutions and that lone pairs that are sterically inactive in a chemical surrounding can become activated in the free isolated species.

  19. 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

  20. 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.

  1. 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.

  2. 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.

  3. 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

  4. 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

  5. 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

  6. 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

  7. 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.

  8. 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.

  9. 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

  10. Atomic Level Anisotropy in the Electrostatic Modeling of Lone Pairs for a Polarizable Force Field Based on the Classical Drude Oscillator.

    PubMed

    Harder, Edward; Anisimov, Victor M; Vorobyov, Igor V; Lopes, Pedro E M; Noskov, Sergei Y; MacKerell, Alexander D; Roux, Benoît

    2006-11-01

    Electron pairs in the valence shell of an atom that do not participate in the bonding of a molecule ("lone pairs") give rise to a concentrated electron density away from the atom center. To account for the asymmetry in the electron charge density that arises from lone pairs, an electrostatic model is developed that is parametrically anisotropic at the atomic level. The model uses virtual interaction sites with partial charges that are associated but not coincident with the nuclei. In addition, the model incorporates anisotropic atomic polarizabilities. The protocol previously outlined in Anisimov et al. [J. Chem. Theory Comput. 2005, 1, 153] for parametrizing the electrostatic potential energy of a polarizable force field using classical Drude oscillators is extended to incorporate additional lone pair parameters. To probe the electrostatic environment around the lone pairs, the static (molecule alone) and perturbed (molecule in the presence of a test charge) electrostatic potential (ESP) are evaluated and compared to high level quantum mechanical (QM) electronic structure calculations. The parametrization of the virtual sites relies on data from the QM static ESP. The contribution to the perturbed ESP from the electronic polarization of the molecule is used to resolve the components of the atomic polarizability tensor. The model is tested in the case of four molecules:  methanol, acetone, methylamine, and pyridine. Interaction energies with water and sodium are used to assess the accuracy of the model. The results are compared with simpler models placing all the charge on the nuclei as well as using only isotropic atomic polarizabilities. Analysis shows that the addition of virtual sites reduces the average error relative to the QM calculations. In contrast to models with atom centered charges, the virtual site models correctly predict the minimum energy conformation for acetone and methanol, with water, to be closely coordinated with the lone pair direction

  11. 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.

  12. 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.

  13. Analysis of Proton NMR in Hydrogen Bonds in Terms of Lone-Pair and Bond Orbital Contributions.

    PubMed

    Sutter, Kiplangat; Aucar, Gustavo A; Autschbach, Jochen

    2015-12-01

    NMR spectroscopic parameters of the proton involved in hydrogen bonding are studied theoretically. The set of molecules includes systems with internal resonance-assisted hydrogen bonds, internal hydrogen bonds but no resonance stabilization, the acetic acid dimer (AAD), a DNA base pair, and the hydrogen succinate anion (HSA). Ethanol and guanine represent reference molecules without hydrogen bonding. The calculations are based on zero-point vibrationally averaged molecular structures in order to include anharmonicity effects in the NMR parameters. An analysis of the calculated NMR shielding and J-coupling is performed in terms of "chemist's orbitals", that is, localized molecular orbitals (LMOs) representing lone-pairs, atomic cores, and bonds. The LMO analysis associates some of the strong de-shielding of the protons in resonance-assisted hydrogen bonds with delocalization involving the π-backbone. Resonance is also shown to be an important factor causing de-shielding of the OH protons for AAD and HSA, but not for the DNA base pair. Nitromalonamide (NMA) and HSA have particularly strong hydrogen bonds exhibiting signs of covalency in the associated J-couplings. The analysis results show how NMR spectroscopic parameters that are characteristic for hydrogen bonded protons are influenced by the geometry and degree of covalency of the hydrogen bond as well as intra- and intermolecular resonance.

  14. Close contacts between carbonyl oxygen atoms and aromatic centers in protein structures: pi...pi or lone-pair...pi interactions?

    PubMed

    Jain, Alok; Purohit, Chandra Shekhar; Verma, Sandeep; Sankararamakrishnan, Ramasubbu

    2007-08-01

    Lone-pair...pi and, more recently, pi...pi interactions have been studied in small molecule crystal structures, and they are the focus of attention in some biomolecules. In this study, we have systematically analyzed 500 high-resolution protein structures (resolution < or =1.8 A) and identified 286 examples in which carbonyl oxygen atoms approach the aromatic centers within a distance of 3.5 A. Contacts involving backbone carbonyl oxygens are frequently observed in helices and, to some extent, in strands. Geometrical characterization indicates that these contacts have geometry in between that of an ideal pi...pi and a lone-pair...pi interaction. Quantum mechanical calculations using 6-311++G** basis sets reveal that these contacts give rise to energetically favorable interactions and, along with MD simulations, indicate that such interactions could stabilize secondary structures.

  15. Pairing Learners in Pair Work Activity

    ERIC Educational Resources Information Center

    Storch, Neomy; Aldosari, Ali

    2013-01-01

    Although pair work is advocated by major theories of second language (L2) learning and research findings suggest that pair work facilitates L2 learning, what is unclear is how to best pair students in L2 classes of mixed L2 proficiency. This study investigated the nature of pair work in an English as a Foreign Language (EFL) class in a college in…

  16. 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.

  17. Energy decomposition analysis of cation-π, metal ion-lone pair, hydrogen bonded, charge-assisted hydrogen bonded, and π-π interactions.

    PubMed

    Sharma, Bhaskar; Srivastava, Hemant Kumar; Gayatri, Gaddamanugu; Sastry, Garikapati Narahari

    2015-03-30

    This study probes the nature of noncovalent interactions, such as cation-π, metal ion-lone pair (M-LP), hydrogen bonding (HB), charge-assisted hydrogen bonding (CAHB), and π-π interactions, using energy decomposition schemes-density functional theory (DFT)-symmetry-adapted perturbation theory and reduced variational space. Among cation-π complexes, the polarization and electrostatic components are the major contributors to the interaction energy (IE) for metal ion-π complexes, while for onium ion-π complexes (NH4+, PH4+, OH3+, and SH3+) the dispersion component is prominent. For M-LP complexes, the electrostatic component contributes more to the IE except the dicationic metal ion complexes with H2 S and PH3 where the polarization component dominates. Although electrostatic component dominates for the HB and CAHB complexes, dispersion is predominant in π-π complexes.

  18. σ-Hole Opposite to a Lone Pair: Unconventional Pnicogen Bonding Interactions between ZF3 (Z=N, P, As, and Sb) Compounds and Several Donors.

    PubMed

    Bauzá, Antonio; Mooibroek, Tiddo J; Frontera, Antonio

    2016-06-01

    The ability of several pnicogen sp(3) derivatives ZF3 (Z=N, P, As, Sb) to interact with electron-rich entities by means of the opposite face to the lone pair (lp) is investigated at the RI-MP2/aug-cc-pVQZ level of theory. The strength of the interaction ranges from -1 to -87 kJ mol(-1) , proving its favorable nature, especially when the lp is coordinated to a metal center, whereby the strength of the interaction is significantly enhanced. NBO analysis showed that orbital effects are modest contributors to the global stabilization of the pnicogen σ-hole bonded complexes studied. Finally, a selection of Cambridge Structural Database examples are shown that demonstrate the impact of this counterintuitive binding mode in the solid state.

  19. 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.…

  20. Structures of the gauche conformers of somE substituted dimethyl ethers. Effect of adjacent atom lone pairs on methyl group asymmetry

    NASA Astrophysics Data System (ADS)

    Boggs, James E.; Altman, Michael; Cordell, Floyd R.; Dai, Yuanfang

    The complete equilibrium structures of CH 3OCH 3 and of the gauche conformers of CH 30CH 2F, HOCH,F, CH,OCH,Cl and CH,OCH,CN have been determined by ab initio gradient computation at the Hartree-Fock, double zeta-plus-polarization level. The very large asymmetries in CH bond distances previously reported from microwave substitution structures are shown to be non-existent in the equilibrium structures and are presumably artifacts. Small differences, different in direction from those reported from the experiments and nearly an order of magnitude smaller in size, do exist. They reflect three factors: (1) a lengthening of a CH bond which is trans to a lone pair on an adjacent atom, (2) a general shortening of CH bonds originating at a carbon atom bearing a highly electronegative substituent, and (3) a specific interaction in which a CX substituent shortens the nearly parallel CH bond on the other methyl group. The last interaction, not previously reported, is mediated by withdrawal of electron density from the oxygen lone pair which is trans to both groups. Other structural features derived from the microwave studies are supported by the new results. Inclusion of polarization functions in the basis set for oxygen is essential for correct determination of the COC angle and the dihedral angles. The dihedral angles of CH 3OCH 2F and HOCH 2F are not correctly determined by the computation even at this level, although the computed values are improved when d functions are used for oxygen and still more by use of two sets of oxygen d functions. Polarization functions on carbon or on fluorine have no effect on the computed torsional angles. There is no problem in computing the correct dihedral angles with the CI or CN derivatives.

  1. 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.

  2. Evolution of lone pair of excess electrons inside molecular cages with the deformation of the cage in e2@C60F60 systems.

    PubMed

    Wang, Yin-Feng; Chen, Wei; Yu, Guang-Tao; Li, Zhi-Ru; Wu, Di; Sun, Chia-Chung

    2011-07-15

    For unusual e(2)@C(60)F(60)(I(h), D(6h), and D(5d)) cage structures with two excess electrons, it is reported that not only the lone pair in singlet state but also two single excess electrons in triplet state can be encapsulated inside the C(60)F(60) cages to form single molecular solvated dielectrons. The interesting relationship between the shape of the cage and the spin state of the system has revealed that ground states are singlet state for spherical shaped e(2)@C(60)F(60)(I(h)) and triplet states for short capsular shaped e(2)@C(60)F(60)(D(6h)) and long capsular shaped e(2)@C(60)F(60)(D(5d)), which shows a spin evolution from the singlet to triplet state with the deformation of the cage from spherical to capsular shape. For these excess electron systems, the three ground state structures have large vertical electron detachment energies (VDEs (I) of 1.720-2.283 eV and VDEs (II) of 3.959-5.288 eV), which shows their stabilities and suggests that the large C(60)F(60) cage is the efficient container of excess electrons.

  3. 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.

  4. Analysis of canonical molecular orbitals to identify fermi contact coupling pathways. 1. Through-space transmission by overlap of (31)P lone pairs.

    PubMed

    Contreras, Rubén H; Gotelli, Gustavo; Ducati, Lucas C; Barbosa, Thais M; Tormena, Cláudio F

    2010-01-21

    In this work, a new approach to studying coupling pathways for the Fermi contact term of NMR spin-spin coupling constants (SSCCs) is presented. It is based on the known form of propagating the Fermi hole through a canonical molecular orbital (CMO). It requires having an adequate spatial description of the relevant canonical molecular orbitals, which are obtained by expanding CMOs in terms of natural bond orbitals (NBOs). For detecting the relevant contributions of CMOs to a given Fermi contact (FC) pathway, the description of the FC in terms of the triplet polarization propagator (PP) is used. To appreciate the potential of this approach, dubbed FCCP-CMO (Fermi contact coupling pathways-CMO), it is applied to analyze the through-space transmission of the FC term of J(PP) SSCCs by overlap of the P lone pairs. This method can be applied using well-known quantum chemistry software without any further modification, which makes it appealing for use as a complement to SSCC measurements by NMR spectroscopy.

  5. 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.

  6. 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.

  7. Arabidopsis lonely guy (LOG) multiple mutants reveal a central role of the LOG-dependent pathway in cytokinin activation.

    PubMed

    Tokunaga, Hiroki; Kojima, Mikiko; Kuroha, Takeshi; Ishida, Takashi; Sugimoto, Keiko; Kiba, Takatoshi; Sakakibara, Hitoshi

    2012-01-01

    Cytokinins are phytohormones that play key roles in the maintenance of stem cell activity in plants. Although alternative single-step and two-step activation pathways for cytokinin have been proposed, the significance of the single-step pathway which is catalyzed by LONELY GUY (LOG), is not fully understood. We analyzed the metabolic flow of cytokinin activation in Arabidopsis log multiple mutants using stable isotope-labeled tracers and characterized the mutants' morphological and developmental phenotypes. In tracer experiments, cytokinin activation was inhibited most pronouncedly by log7, while the other log mutations had cumulative effects. Although sextuple or lower-order mutants did not show drastic phenotypes in vegetative growth, the log1log2log3log4log5log7log8 septuple T-DNA insertion mutant in which the LOG-dependent pathway is impaired, displayed severe retardation of shoot and root growth with defects in the maintenance of the apical meristems. Detailed observation of the mutants showed that LOG7 was required for the maintenance of shoot apical meristem size. LOG7 was also suggested to play a role for normal primary root growth together with LOG3 and LOG4. These results suggest a dominant role of the single-step activation pathway mediated by LOGs for cytokinin production, and overlapping but differentiated functions of the members of the LOG gene family in growth and development.

  8. Recognition of Short Time-Paired Activities

    NASA Astrophysics Data System (ADS)

    Chaminda, Hapugahage Thilak; Klyuev, Vitaly; Naruse, Keitaro; Osano, Minetada

    We undertake numerous activities in our daily life and for some of those we forget to complete the action as originally intended. Significant aspects while performing most of these actions might be: “pairing of both hands simultaneously” and “short time consumption”. In this work an attempt has been made to recognize those kinds of Paired Activities (PAs), which are easy to forget, and to provide a method to remind about uncompleted PAs. To represent PAs, a study was done on opening and closing of various bottles. A model to define PAs, which simulated the paired behavior of both hands, is proposed, called “Paired Activity Model” (PAM). To recognize PAs using PAM, Paired Activity Recognition Algorithm (PARA) was implemented. Paired motion capturing was done by accelerometers, which were worn by subjects on the wrist areas of both hands. Individual and correlative behavior of both hands was used to recognize exact PA among other activities. Artificial Neural Network (ANN) algorithm was used for data categorization in PARA. ANN significantly outperformed the support vector machine algorithm in real time evaluations. In the user-independent case, PARA achieved recognition rates of 96% for only target PAs and 91% for target PAs undertaken amidst unrelated activities.

  9. Anion-π, lone pair-π and π-π interactions in VO(O2)+ complexes with one dipicolinato(2-)-N,O,O ligand and bearing picolinamidium, nicotinamidium or phenanthrolinium as counterions

    NASA Astrophysics Data System (ADS)

    Gyepes, Róbert; Pacigová, Silvia; Tatiersky, Jozef; Sivák, Michal

    2013-06-01

    From the V2O5sbnd H2O2sbnd H2dipic-nica/pa/phen-H2O/H2Osbnd CH3CN reaction systems (H2dipic = dipicolinic acid, nica = nicotinamide, pa = picolinamide, phen = 1,10-phenanthroline), three monoperoxidovanadium(V) complexes have been synthesized and structurally characterized: (Hpa)[VO(O2)(dipic)(H2O)]ṡH2O (1), (Hnica)[VO(O2)(dipic)(H2O)] (2) and (Hphen)[VO(O2)(dipic)(H2O)]ṡH2O (3). The organic counterions in 1-3 are protonated on the aromatic nitrogen atoms, whereas the dipicolinato(2-) (=dipic) ligand adopts a tridentate chelating coordination mode in all three complexes. The NOO donor atoms of dipic occupy the three equatorial positions of the characteristic distorted pentagonal bipyramid around the central vanadium atom. The aqua ligand is located in the apical position trans to the short Vtbnd O(oxido) bond. In addition to electrostatic cation-anion interactions, the supramolecular architecture of the title complexes is formed by: (i) a network of Dsbnd H⋯O (D = N, O and C) hydrogen bonds, (ii) π-π interactions between offset pyridine rings of dipic (in 1 and 2) as well as between the rings of Hpa+, Hnica+ or Hphen+, (iii) anion-π interactions (in 1 and 3) between the oxygen atoms of the COO- group and rings of the dipic ligands, and (iv) the rarely recognized lone pair-π interaction between the carboxamide oxygen atoms of Hpa+ and pyridine rings in 1, as well as between the oxygen atoms from crystal water molecules and the pyridine rings of Hphen+ in 3. The anion-π and lone pair-π interactions were studied more in detail by DFT. A common feature for both these interactions was the lack of significant covalent contributions to the attraction between the respective partners. 51V NMR spectra of the acidic aqueous solutions of 1-3 showed that the structure of the complex anion is for 2 and 3 maintained even after dissolution (single shift δV = -597 ppm), whereas 1 partially decomposes with formation of monoperoxidovanadium(V) species: [VO(O2)(H2O

  10. Solution and solid-state photoluminescence of bis{succinatobis[2,6-bis(2-benzimidazolyl)] lead(II)}: A comment on the lone-pair stereochemistry and its effect on supramolecular interaction

    NASA Astrophysics Data System (ADS)

    Meng, Fa-Yan; Zhou, Yan-Ling; Zou, Hua-Hong; Zeng, Ming-Hua; Liang, Hong

    2009-02-01

    A new Pb(II) coordination compound, namely [Pb(suc)(H 2bbp)] 2 ( 1) has been synthesized by treating succinic acid (H 2suc), and 2,6-bis(2-benzimidazolyl) pyridine (H 2bbp) with Pb(II) nitrate under hydrothermal conditions. Dicarboxylate as a bridging ligand is used to link adjacent metal centers forming dinuclear metal complex. The arrangement of the H 2bbp ligand and carboxyl groups suggest a gap in the coordination around the Pb(II) ion, occupied possibly by a stereoactive lone-pair of electrons on Pb(II) where the coordination around the lead atoms is hemidirected. At room temperature, in the solid-state, the compound displays blue luminescence at 438 nm, which is about 50 nm red-shifted compared to the emission in DMF solution, resulting from long Pb···O interactions, a closer inspection of the pack reveals π-π stacking interactions that are crucial to lowering the HOMO-LUMO energy gaps.

  11. Emerging risk factors and the dose–response relationship between physical activity and lone atrial fibrillation: a prospective case–control study

    PubMed Central

    Calvo, Naiara; Ramos, Pablo; Montserrat, Silvia; Guasch, Eduard; Coll-Vinent, Blanca; Domenech, Mònica; Bisbal, Felipe; Hevia, Sara; Vidorreta, Silvia; Borras, Roger; Falces, Carles; Embid, Cristina; Montserrat, Josep Maria; Berruezo, Antonio; Coca, Antonio; Sitges, Marta; Brugada, Josep; Mont, Lluís

    2016-01-01

    Aims The role of high-intensity exercise and other emerging risk factors in lone atrial fibrillation (Ln-AF) epidemiology is still under debate. The aim of this study was to analyse the contribution of each of the emerging risk factors and the impact of physical activity dose in patients with Ln-AF. Methods and results Patients with Ln-AF and age- and sex-matched healthy controls were included in a 2:1 prospective case–control study. We obtained clinical and anthropometric data transthoracic echocardiography, lifetime physical activity questionnaire, 24-h ambulatory blood pressure monitoring, Berlin questionnaire score, and, in patients at high risk for obstructive sleep apnoea (OSA) syndrome, a polysomnography. A total of 115 cases and 57 controls were enrolled. Conditional logistic regression analysis associated height [odds ratio (OR) 1.06 [1.01–1.11

  12. Applicability of effective pair potentials for active Brownian particles.

    PubMed

    Rein, Markus; Speck, Thomas

    2016-09-01

    We have performed a case study investigating a recently proposed scheme to obtain an effective pair potential for active Brownian particles (Farage et al., Phys. Rev. E 91, 042310 (2015)). Applying this scheme to the Lennard-Jones potential, numerical simulations of active Brownian particles are compared to simulations of passive Brownian particles interacting by the effective pair potential. Analyzing the static pair correlations, our results indicate a limited range of activity parameters (speed and orientational correlation time) for which we obtain quantitative, or even qualitative, agreement. Moreover, we find a qualitatively different behavior for the virial pressure even for small propulsion speeds. Combining these findings we conclude that beyond linear response active particles exhibit genuine non-equilibrium properties that cannot be captured by effective pair interaction alone. PMID:27628695

  13. Frustrated Lewis pairs: metal-free hydrogen activation and more.

    PubMed

    Stephan, Douglas W; Erker, Gerhard

    2010-01-01

    Sterically encumbered Lewis acid and Lewis base combinations do not undergo the ubiquitous neutralization reaction to form "classical" Lewis acid/Lewis base adducts. Rather, both the unquenched Lewis acidity and basicity of such sterically "frustrated Lewis pairs (FLPs)" is available to carry out unusual reactions. Typical examples of frustrated Lewis pairs are inter- or intramolecular combinations of bulky phosphines or amines with strongly electrophilic RB(C(6)F(5))(2) components. Many examples of such frustrated Lewis pairs are able to cleave dihydrogen heterolytically. The resulting H(+)/H(-) pairs (stabilized for example, in the form of the respective phosphonium cation/hydridoborate anion salts) serve as active metal-free catalysts for the hydrogenation of, for example, bulky imines, enamines, or enol ethers. Frustrated Lewis pairs also react with alkenes, aldehydes, and a variety of other small molecules, including carbon dioxide, in cooperative three-component reactions, offering new strategies for synthetic chemistry. PMID:20025001

  14. 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…

  15. 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.

  16. 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

  17. 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

  18. 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.

  19. Effect of the Pb(2+) lone electron pair in the structure and properties of the double perovskites Pb2Sc(Ti0.5Te0.5)O6 and Pb2Sc(Sc0.33Te0.66)O6: relaxor state due to intrinsic partial disorder.

    PubMed

    Larrégola, S A; Alonso, J A; Algueró, M; Jiménez, R; Suard, E; Porcher, F; Pedregosa, J C

    2010-06-01

    We describe the preparation, the crystal structure refined from neutron powder diffraction (NPD) data, and study of the permittivity of two related double perovskites, Pb2Sc(Ti0.5Te0.5)O6 and Pb2Sc(Sc0.33Te0.66)O6. These compounds were synthesized by standard ceramic procedures; Rietveld refinements from room temperature NPD data show that the crystal structures are well defined in a cubic unit cell (space group Fm3m) with double parameter, a = 2a0 ≈ 8 Å. They contain a completely ordered array of ScO6 and (B,Te)O6 (B = Sc, Ti) octahedra sharing corners; the PbO12 polyhedra present an off-center displacement of the lead atoms along the [1 1 1] directions, due to the electrostatic repulsion between the Pb(2+) 6 s electron lone-pair and the Pb-O bonds of the cuboctahedron. Both compounds present a low temperature, highly dispersive maximum in permittivity, the position of which follows the Vogel-Fulcher relation with freezing temperatures of 156 and 99 K for Pb2Sc(Ti0.5Te0.5)O6 and Pb2Sc(Sc0.33Te0.66)O6, respectively, exhibiting a typical phenomenology of relaxors.

  20. Proton affinities and photoelectron spectra of phenylalanine and N-methyl- and N,N-dimethylphenylalanine. Correlation of lone pair ionization energies with proton affinities and implications for N-methylation as a method to effect site specific protonation of peptides

    SciTech Connect

    Campbell, S.; Marzluff, E.M.; Rodgers, M.T.; Beauchamp, J.L. ); Rempe, M.E.; Schwinck, K.F.; Lichtenberger, D.L. )

    1994-06-15

    A Fourier transform ion cyclotron resonance (FT-ICR) technique for measuring gas-phase proton affinities is presented which utilizes collisional dissociation of proton-bound clusters by off-resonance translational excitation. A simplified RRKM analysis relates unimolecular dissociation rates to proton affinities. This technique is used to measure values for the proton affinities of phenylalanine and N-methyl- and N,N-dimethylphenylalanine of 220.3, 223.6, and 224.5 kcal/mol, respectively (relative to the proton affinity of NH[sub 3] = 204.0 kcal/mol). The proton affinity measured for phenylalanine is in excellent agreement with reported literature values. The photoelectron spectra of these three molecules are also presented and analyzed. Assignments of bands to specific ionization processes are aided by comparison with model compounds such as methyl-substituted amines and 2-phenylethylamines. These data are employed to examine the correlation of adiabatic nitrogen lone pair ionization energies with gas-phase proton affinities for phenylalanine, N-methylphenylalanine, and N,N-dimethylphenylalanine in comparison to correlations for other amino acids and selected aliphatic amines. 41 refs., 7 figs., 2 tabs.

  1. Can HN[double bond, length as m-dash]NH, FN[double bond, length as m-dash]NH, or HN[double bond, length as m-dash]CHOH bridge the σ-hole and the lone pair at P in binary complexes with H2XP, for X = F, Cl, NC, OH, CN, CCH, CH3, and H?

    PubMed

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

    2015-11-11

    Ab initio MP2/aug'-cc-pVTZ calculations have been carried out to investigate the properties of complexes formed between H2XP, for X = F, Cl, NC, OH, CN, CCH, CH3, and H, and the possible bridging molecules HN[double bond, length as m-dash]NH, FN[double bond, length as m-dash]NH, and HN[double bond, length as m-dash]CHOH. H2XP:HNNH and H2XP:FNNH complexes are stabilized by PN pnicogen bonds, except for H2(CH3)P:FNNH and H3P:FNNH which are stabilized by N-HP hydrogen bonds. H2XP:HNCHOH complexes are stabilized by PN pnicogen bonds and nonlinear O-HP hydrogen bonds. For a fixed H2XP molecule, binding energies decrease in the order HNCHOH > HNNH > FNNH, except for the binding energies of H2(CH3)P and H3P with HNNH and FNNH. Binding energies of complexes with HNCHOH and HNNH increase as the P-N1 distance decreases, but binding energies of complexes with FNNH show little dependence on this distance. The large binding energies of H2XP:HNCHOH complexes arise from a cooperative effect involving electron-pair acceptance by P to form a pnicogen bond, and electron-pair donation by P to form a hydrogen bond. The dominant charge-transfer interaction in these complexes involves electron-pair donation by N across the pnicogen bond, except for complexes in which X is one of the more electropositive substituents, CCH, CH3, and H. For these, lone-pair donation by P across the hydrogen bond dominates. AIM and NBO data for these complexes are consistent with their bonding characteristics, showing molecular graphs with bond critical points and charge-transfer interactions associated with hydrogen and pnicogen bonds. EOM-CCSD spin-spin coupling constants (1p)J(P-N) across the pnicogen bond for each series of complexes correlate with the P-N distance. In contrast, (2h)J(O-P) values for complexes H2XP:HNCHOH do not correlate with the O-P distance, a consequence of the nonlinearity of these hydrogen bonds.

  2. 3-Picoline mediated self-assembly of M(II)-malonate complexes (M = Ni/Co/Mn/Mg/Zn/Cu) assisted by various weak forces involving lone pair-π, π-π, and anion···π-hole interactions.

    PubMed

    Mitra, Monojit; Manna, Prankrishna; Bauzá, Antonio; Ballester, Pablo; Seth, Saikat Kumar; Ray Choudhury, Somnath; Frontera, Antonio; Mukhopadhyay, Subrata

    2014-12-18

    Five M(II)-malonate complexes having a common formula (C(6)H(9)N(2))(4)[M(II)(C(3)H(2)O(4))(2)(H(2)O)(2)](PF(6))(2).(H(2)O)(2) (1-5) [where C(6)H(9)N(2) = protonated 3-picoline, M(II) = Ni/Co/Mn/Mg/Zn, C(3)H(4)O(4) = malonic acid, and PF(6)(-) = hexafluorophospahte], have been synthesized and their crystal structures have been determined. Complexes 1-5 were found to be isostructural and protonated 3-picoline has primarily mediated the self-assembly process. Role of a discrete water dimer in complexes 1-5 was also studied. Weaker π-interactions have also played crucial role in stabilizing 1D chain constructed by discrete [M(II)(C(3)H(2)O(4))(2)(H(2)O)(2)] units. An additional copper complex namely, (C(6)H(9)N(2))(4)[Cu(C(3)H(2)O(4))(2)](PF(6))(2) (6) has been synthesized from the same reagents and was found to have a completely different structure from the others. Structures of all the complexes are fully described and compared here. Moreover, the lone pair-π and π-π noncovalent interactions have been analyzed by means of DFT calculations, mainly focusing our attention to the influence of the coordinating metal on the strength of the interactions and the interplay between hydrogen bonding and π-interactions. We also present here Hirshfeld surface analysis to investigate the close intermolecular contacts.

  3. 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

  4. 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

  5. Why do the lonely stay lonely? Chronically lonely adolescents' attributions and emotions in situations of social inclusion and exclusion.

    PubMed

    Vanhalst, Janne; Soenens, Bart; Luyckx, Koen; Van Petegem, Stijn; Weeks, Molly S; Asher, Steven R

    2015-11-01

    The goal of this study was to identify mechanisms associated with chronic loneliness by examining the effect of adolescents' accumulated history of loneliness on responses to new social situations. Specifically, this study investigated whether attributions and emotions in situations of social inclusion and exclusion differ between chronically lonely adolescents and adolescents with a different loneliness history. A total of 730 adolescents (Mage at Wave 1 = 15.43 years) participated in a 4-wave longitudinal study with annual loneliness assessments. A chronic loneliness trajectory was identified, in addition to low-stable, moderate-stable, moderate-increasing, and high-decreasing loneliness trajectories. At Wave 4, vignettes depicting social inclusion and exclusion were presented, and participants rated a set of attributions and emotions following each vignette. Compared with individuals following other trajectories, chronically lonely adolescents were characterized by hypersensitivity to social exclusion (i.e., higher levels of negative emotions) and hyposensitivity to social inclusion (i.e., lower levels of enthusiasm). Further, chronically lonely adolescents had a stronger tendency to attribute social inclusion to circumstantial factors and social exclusion to internal and stable characteristics. This maladaptive attribution style partially mediated their emotional experiences. Together, results indicate that chronically lonely individuals respond to social situations in ways that may perpetuate rather than reduce their loneliness.

  6. Hydrogen activation by frustrated lewis pairs: insights from computational studies.

    PubMed

    Rokob, Tibor András; Pápai, Imre

    2013-01-01

    Sterically encumbered Lewis acid-base pairs, the so-called frustrated Lewis pairs, can split dihydrogen heterolytically and act as transition metal free catalysts for the hydrogenation of unsaturated compounds. Here we review the results from our quantum chemical calculations aimed at the understanding of this remarkable class of reactions and we put them into the context of related works from other research groups. The thermodynamics of the H2 splitting reaction is discussed first; the role of acid-base properties, intramolecular cooperativity, and other factors is assessed, employing an energy partitioning scheme and also in the light of the latest experimental findings. The mechanism of hydrogen cleavage is then examined, and an overview about the applicability of our reactivity model involving synergistic electron transfers between H2 and preorganized Lewis acid/base centers is given. Finally, insights about catalytic cycles in FLP-mediated hydrogenations are summarized, pinpointing the diversity of the involved elementary steps and their possible sequences.

  7. The Children of the Lonely Crowd

    ERIC Educational Resources Information Center

    Botstein, Leon

    1978-01-01

    Riesman's classic book, "The Lonely Crowd," has had an enormous impact on the way American society is talked about and understood. His central thesis that Americans were becoming increasingly "other directed," more concerned with how they compared with others, and less "inner directed" is examined in terms of the role of academe in the 1970s. (LBH)

  8. 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.

  9. 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.

  10. 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.

  11. Conversation Strategies: Pair and Group Activities for Developing Communicative Competence.

    ERIC Educational Resources Information Center

    Kehe, David; Kehe, Peggy Dustin

    The guide is designed for use in English-as-a-Second-Language instruction at the intermediate level. The activities are designed to be enjoyable and encourage students to interact, but also to be non-threatening to even the most reserved students. The exercises develop strategic conversation skills. Each has three parts: a teacher's introduction;…

  12. 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.

  13. 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

  14. 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.

  15. 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

  16. 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

  17. 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.

  18. 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.

  19. 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

  20. Neural activation for conceptual identification of correct versus incorrect tool-object pairs.

    PubMed

    Mizelle, J C; Wheaton, Lewis A

    2010-10-01

    Appropriate tool-object pairing is a natural part of our lives. When preparing to clean our teeth, we know that a toothbrush is useful, but not a screwdriver. The neural correlates of this pairing process remain unclear. We recorded 64-channel electroencephalography to determine neural correlates of identification of tool-object matches and mismatches. Subjects were shown a target tool (e.g. spoon) later paired with an object that was either a conceptual match (e.g. bowl) or mismatch (e.g. wood). To verify that activity was not related to general concept of match-mismatch, in a second condition subjects saw non-tool environmental items (e.g. bird) later paired with a conceptual match (e.g. nest) or mismatch (e.g. spider web). Analysis was focused on time bins after each picture, using standardized low-resolution brain electromagnetic tomography (sLORETA). Tool-object match versus mismatch revealed significant differences in the posterior cingulate, precuneus, left insula and superior temporal gyrus. These patterns were not present for environmental match versus mismatch. This work suggests a specific network in comprehending tool-based pairings, but not extensive to other pairings. The posterior cingulate, precuneus, insula and superior temporal gyrus preferentially differentiates tool-object matching and mismatching, identifying a potential locus related to impairments in comprehending appropriate and inappropriate tool-object relationships that arise after neural injury.

  1. 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.

  2. Quantitative structure-activity relationship models of chemical transformations from matched pairs analyses.

    PubMed

    Beck, Jeremy M; Springer, Clayton

    2014-04-28

    The concepts of activity cliffs and matched molecular pairs (MMP) are recent paradigms for analysis of data sets to identify structural changes that may be used to modify the potency of lead molecules in drug discovery projects. Analysis of MMPs was recently demonstrated as a feasible technique for quantitative structure-activity relationship (QSAR) modeling of prospective compounds. Although within a small data set, the lack of matched pairs, and the lack of knowledge about specific chemical transformations limit prospective applications. Here we present an alternative technique that determines pairwise descriptors for each matched pair and then uses a QSAR model to estimate the activity change associated with a chemical transformation. The descriptors effectively group similar transformations and incorporate information about the transformation and its local environment. Use of a transformation QSAR model allows one to estimate the activity change for novel transformations and therefore returns predictions for a larger fraction of test set compounds. Application of the proposed methodology to four public data sets results in increased model performance over a benchmark random forest and direct application of chemical transformations using QSAR-by-matched molecular pairs analysis (QSAR-by-MMPA).

  3. 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…

  4. 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.

  5. Central pair apparatus enhances outer-arm dynein activities through regulation of inner-arm dyneins.

    PubMed

    Kikushima, Kenji

    2009-05-01

    The beating of eukaryotic cilia and flagella is controlled by multiple species of inner-arm and outer-arm dyneins. To clarify the regulation on axonemal beating by nucleotide conditions and central-pair microtubules, microtubule sliding in disintegrating Chlamydomonas axonemes of various mutants and in vitro microtubule gliding by isolated axonemal dyneins were examined. In the in vitro motility assays with outer-arm dyneins (alphabeta and gamma), microtubule translocation velocity decreased at high concentrations of ATP, while this inhibition was canceled by the simultaneous presence of ADP or ribose-modified analogues, mantATP/ADP. In contrast, motility of inner-arm dyneins was rather insensitive to these nucleotides. The velocity of sliding disintegration in axonemes lacking the central pair was less than that in wild-type axonemes at high ATP concentrations, but was overcome by the presence of ADP or mantATP/ADP. While these nucleotides did not activate the sliding velocity in other mutant axonemes, they increased the extent of sliding, except for axonemes lacking outer-arm dynein. Experiments with axonemes lacking inner-arm dynein f using casein kinase 1 inhibitor suggest that the regulation of outer-arm dynein by the central pair is effected through the activation of inner-arm dynein f, and possibly by other interactions. These results indicate that the central pair activates outer-arm dyneins on specific outer-doublet, resulting in amplification of the axonemal bending force.

  6. 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

  7. 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

  8. Effect of Pair Interactions on Transition Probabilities between Inactive and Active States — Achieving Collective Behaviour via Pair Interactions in Social Insects —

    NASA Astrophysics Data System (ADS)

    Hayashi, Yoshikatsu; Yuki, Mai; Kikuchi, Tomonori; Tsuji, Kazuki; Sugawara, Ken

    2015-10-01

    To understand the evolution of well-organized social behaviour, we must first understand the mechanism by which collective behaviour is established. In this study, the mechanisms of collective behaviour in a colony of social insects were studied in terms of the transition probability between active and inactive states, which is linked to mutual interactions. The active and inactive states of the social insects were statistically extracted from the velocity profiles. From the duration distributions of the two states, we found that (1) the durations of active and inactive states follow an exponential law, and (2) pair interactions increase the transition probability from inactive to active states. The regulation of the transition probability by pair interactions suggests that such interactions control the populations of active and inactive workers in the colony.

  9. 26. LONE CONE AND OLD ROAD GRADE TO LEFT SEEN ...

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

    26. LONE CONE AND OLD ROAD GRADE TO LEFT SEEN FROM PARKING LOT ADJACENT TO LAUNDROMAT AT MOREFIELD CAMPGROUND STORE, FACING NW. - Mesa Verde National Park Main Entrance Road, Cortez, Montezuma County, CO

  10. 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

  11. 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

  12. 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

  13. Lone atrial fibrillation: Pathologic or not?

    PubMed

    Chambers, Patrick William

    2007-01-01

    Atrial fibrillation risk has been strongly associated with increasing age and visceral obesity. These characteristics are strongly associated with diabetes, decreased heart rate variability, and chronic inflammation. Lone atrial fibrillation (LAF) on the other hand exhibits a predilection for the physically fit and the middle aged, especially males. Given these opposing features it is postulated that pathologic AF is due to cardiac fibrosis and other age related changes while LAF is due to physiologic neurohormonal changes related to autonomic tone, insulin sensitivity, and electrolyte imbalance and that pathologic AF and LAF can be reliably differentiated via an anthropometric approach using weight, height, hip, and waist measurements. An anthropometric study is undertaken from an LAF database to test this hypothesis. Such individuals in addition to being younger and predominantly male appear to be taller with less central adiposity vs. those with pathologic AF. The ramifications of these findings with respect to insulin resistance, sympathetic tone, inflammation and hypertension, often associated with pathologic atrial fibrillation, are discussed. Speculation is drawn about possible etiologic link with mitral valve prolapse, which is commonly encountered in the tall and thin and which shares multiple clinical features with LAF. PMID:17005327

  14. Decentralized harmonic active vibration control of a flexible plate using piezoelectric actuator-sensor pairs.

    PubMed

    Baudry, Matthieu; Micheau, Philippe; Berry, Alain

    2006-01-01

    We have investigated decentralized active control of periodic panel vibration using multiple pairs combining PZT actuators and PVDF sensors distributed on the panel. By contrast with centralized MIMO controllers used to actively control the vibrations or the sound radiation of extended structures, decentralized control using independent local control loops only requires identification of the diagonal terms in the plant matrix. However, it is difficult to a priori predict the global stability of such decentralized control. In this study, the general situation of noncollocated actuator-sensor pairs was considered. Frequency domain gradient and Newton-Raphson adaptation of decentralized control were analyzed, both in terms of performance and stability conditions. The stability conditions are especially derived in terms of the adaptation coefficient and a control effort weighting coefficient. Simulations and experimental results are presented in the case of a simply supported panel with four PZT-PVDF pairs distributed on it. Decentralized vibration control is shown to be highly dependent on the frequency, but can be as effective as a fully centralized control even when the plant matrix is not diagonal-dominant or is not strictly positive real (not dissipative).

  15. Electron-positron pairs, Compton reflection, and the X-ray spectra of active galactic nuclei

    NASA Technical Reports Server (NTRS)

    Zdziarski, Andrzej A.; Ghisellini, Gabriele; George, Ian M.; Fabian, A. C.; Svensson, Roland; Done, Chris

    1990-01-01

    It is shown here that reprocessing of radiation fron nonthermal pair cascades by cold material in the central parts of active galactic nuclei (AGN) gives rise to X-ray and gamma-ray spectra that satisfy current observational constraints. An average 1-30 keV X-ray spectral index alpha(x) of about 0.7 in the compact range 30-300 is obtained for a wide range of Lorentz factors of the injected electrons. The gamma-ray spectra are steep, with alpha(gamma) about two, and satisfy the observational constraints. Radiation from pair cascades exhibits steep power law decreases in soft X-rays similar to those observed in AGN. The overall picture is consistent with AGN having an accretion disk which intercepts and reprocesses a substantial fraction of the nonthermal continuum incident upon it from above and below.

  16. 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

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

    PubMed

    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

    2014-12-01

    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.

  18. 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

  19. 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

  20. Improved complementary polymer pair system: switching for enzyme activity by PEGylated polymers.

    PubMed

    Kurinomaru, Takaaki; Tomita, Shunsuke; Kudo, Shinpei; Ganguli, Sumon; Nagasaki, Yukio; Shiraki, Kentaro

    2012-03-01

    The development of technology for on/off switching of enzyme activity is expected to expand the applications of enzyme in a wide range of research fields. We have previously developed a complementary polymer pair system (CPPS) that enables the activity of several enzymes to be controlled by a pair of oppositely charged polymers. However, it failed to control the activity of large and unstable α-amylase because the aggregation of the complex between anionic α-amylase and cationic poly(allylamine) (PAA) induced irreversible denaturation of the enzyme. To address this issue, we herein designed and synthesized a cationic copolymer with a poly(ethylene glycol) backbone, poly(N,N-diethylaminoethyl methacrylate)-block-poly(ethylene glycol) (PEAMA-b-PEG). In contrast to PAA, α-amylase and β-galactosidase were inactivated by PEAMA-b-PEG with the formation of soluble complexes. The enzyme/PEAMA-b-PEG complexes were then successfully recovered from the complex by the addition of anionic poly(acrylic acid) (PAAc). Thus, dispersion of the complex by PEG segment in PEAMA-b-PEG clearly plays a crucial role for regulating the activities of these enzymes, suggesting that PEGylated charged polymer is a new candidate for CPPS for large and unstable enzymes.

  1. 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).

  2. Nuclear activity in galaxy pairs: a spectroscopic analysis of 48 UZC-BGPs

    NASA Astrophysics Data System (ADS)

    Focardi, P.; Zitelli, V.; Marinoni, S.

    2008-06-01

    Context: The role played by interaction on galaxy formation and evolution continues to be debated. Several questions remain open, among them whether, and to what extent, galaxy interaction induce nuclear activity, as theoretical predictions, so far, have not been adequately supported by observations. Part of the uncertainty affecting the observational results is likely to be due to the limited sizes and the inhomogeneity of the samples. Aims: Galaxy pairs are ideal sites in which to investigate the role of interaction on nuclear activity, since the proximity, in redshift and in projected separation, between members make interaction and encounters highly probable. For this reason we have undertaken a spectroscopic survey of a large homogeneous sample of galaxy pairs (UZC-BGP) selected applying an objective neighbour search algorithm to a 3D galaxy catalog (UZC). Methods: We present the results of the nuclear spectral classification, performed using standard diagnostic diagrams, of 48 UZC-BGPs, which represents more than half of the whole sample and has an excellent morphological match with it. Results: The fraction of emission line galaxies in our pair sample is large, especially among spirals where it reaches 84% and 95%, for early and late spirals. Star Burst (SB) is the most frequent type of nuclear activity encountered (30% of galaxies), while AGNs (Active Galactic Nuclei) make only 19%. The fractions increase to 45% and 22% when considering only spirals. Late spirals are characterized by both an unusual increase (35%) of AGN activity and high luminosity (44% have MB < -20.0 + 5 log h). LLAGNs (Low Luminosity AGNs) are only 8% of the total number of galaxies, but this kind of activity could be present in another 10% of the galaxies (LLAGN candidates). If confirmed, these candidates would make LLAGNs constitute a significant fraction of the whole AGN (LLAGN + AGN) population, and raise the AGN population as a whole to 37%. Absorption line galaxies reside mostly

  3. 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

  4. 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.

  5. Purification and characterization of a DNA-pairing and strand transfer activity from mitotic Saccharomyces cerevisiae.

    PubMed

    Halbrook, J; McEntee, K

    1989-12-15

    An enzyme catalyzing homologous pairing of DNA chains has been extensively purified from mitotic yeast. The most highly purified fractions are enriched for a polypeptide with a molecular mass of approximately 120 kDa as determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis. Protein-dependent pairing of single-stranded DNAs requires a divalent cation (Mg2+ or Ca2+) but proceeds rapidly in the absence of any nucleoside triphosphates. The kinetics of reassociation are extremely rapid, with more than 60% of the single-stranded DNA becoming resistant to S1 nuclease within 1 min at a ratio of 1 protein monomer/50 nucleotides. The results of enzyme titration and DNA challenge experiments suggest that this protein does not act catalytically during renaturation but is required stoichiometrically. The protein promotes formation of joint molecules between linear M13 replicative form DNA (form III) containing short single-stranded tails and homologous single-stranded M13 viral DNA. Removal of approximately 50 nucleotides from the ends of the linear duplex using either exonuclease III (5' ends) or T7 gene 6 exonuclease (3' ends) activates the duplex for extensive strand exchange. Electron microscopic analysis of product molecules suggests that the homologous circular DNA initially associates with the single-stranded tails of the duplexes, and the heteroduplex region is extended with displacement of the noncomplementary strand. The ability of this protein to pair and to promote strand transfer using either exonuclease III or T7 gene 6 exonuclease-treated duplex substrates suggests that this activity promotes heteroduplex extension in a nonpolar fashion. The biochemical properties of the transferase are consistent with a role for this protein in heteroduplex joint formation during mitotic recombination in Saccharomyces cerevisiae.

  6. 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

  7. 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

  8. 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.

  9. Complexation equilibria involving salts in non-aqueous solvents: ion pairing and activity considerations.

    PubMed

    Gibson, Harry W; Jones, Jason W; Zakharov, Lev N; Rheingold, Arnold L; Slebodnick, Carla

    2011-03-01

    Complexation of anions, cations and even ion pairs is now an active area of investigation in supramolecular chemistry; unfortunately it is an area fraught with complications when these processes are examined in low polarity organic media. Using a pseudorotaxane complex as an example, apparent K(a2) values (=[complex]/{[salt](o)-[complex]}{[host](o)-[complex]}) for pseudorotaxane formation from dibenzylammonium salts (2-X) and dibenzo-[24]crown-8 (1, DB24C8) in CDCl(3)/CD(3)CN 3:2 vary with concentration. This is attributable to the fact that the salt is ion paired, but the complex is not. We report an equilibrium model that explicitly includes ion pair dissociation and is based upon activities rather than molar concentrations for study of such processes in non-aqueous media. Proper analysis requires both a dissociation constant, K(ipd), for the salt and a binding constant for interaction of the free cation 2(+) with the host, K(a5); K(a5) for pseudorotaxane complexation is independent of the counterion (500 M(-1)), a result of the complex existing in solution as a free cation, but K(ipd) values for the salts vary by nearly two orders of magnitude from trifluoroacetate to tosylate to tetrafluoroborate to hexafluorophosphate anions. The activity coefficients depend on the nature of the predominant ions present, whether the pseudorotaxane or the ions from the salt, and also strongly on the molar concentrations; activity coefficients as low as 0.2 are observed, emphasizing the magnitude of their effect. Based on this type of analysis, a method for precise determination of relative binding constants, K(a5), for multiple hosts with a given guest is described. However, while the incorporation of activity coefficients is clearly necessary, it removes the ability to predict from the equilibrium constants the effects of concentration on the extent of binding, which can only be determined experimentally. This has serious implications for study of all such complexation

  10. 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.

  11. PKC activators enhance GABAergic neurotransmission and paired-pulse facilitation in hippocampal CA1 pyramidal neurons.

    PubMed

    Xu, C; Liu, Q-Y; Alkon, D L

    2014-05-30

    Bryostatin-1, a potent agonist of protein kinase C (PKC), has recently been found to enhance spatial learning and long-term memory in rats, mice, rabbits and the nudibranch Hermissenda, and to exert profound neuroprotective effects on Alzheimer's disease (AD) in transgenic mice. However, details of the mechanistic effects of bryostatin on learning and memory remain unclear. To address this issue, whole-cell recording, a dual-recording approach and extracellular recording techniques were performed on young (2-4months) Brown-Norway rats. We found that bath-applied bryostatin-1 significantly increased the frequency and amplitude of spontaneous inhibitory postsynaptic currents (sIPSCs). The firing rate of GABAergic interneurons significantly was also increased as recorded with a loosely-attached extracellular recording configuration. Simultaneous recordings from communicating cell pairs of interneuron and pyramidal neuron revealed unique activity-dependent properties of GABAergic synapses. Furthermore, the bryostatin-induced increase of the frequency and amplitude of IPSCs was blocked by methionine enkephalin which selectively suppressed the excitability of interneurons. Pretreatment with RO-32-0432, a relatively specific PKCα antagonist, blocked the effect of bryostatin on sIPSCs. Finally, bryostatin increased paired-pulse ratio of GABAergic synapses that lasted for at least 20min while pretreatment with RO-32-0432 significantly reduced the ratio. In addition, 8-[2-(2-pentyl-cyclopropylmethl)-cyclopropyl]-octanoic acid (DCP-LA), a selective PKCε activator, also increased the frequency and amplitude of sIPSCs. Taken together, these results suggest that bryostatin enhances GABAergic neurotransmission in pyramidal neurons by activating the PKCα & ε-dependent pathway and by a presynaptic mechanism with excitation of GABAergic interneurons. These effects of bryostatin on GABAergic transmissions and modifiability may contribute to the improvement of learning and memory

  12. 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...

  13. 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...

  14. 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...

  15. 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...

  16. 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...

  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. 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…

  19. 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.

  20. Sex and pairing status explain variations in the activation of nonapeptide receptors in song and motivation regions.

    PubMed

    Tomaszycki, Michelle L; Richardson, Kimberly K; Mann, Kyle J

    2016-10-01

    The nonapeptides oxytocin and vasopressin have been implicated in a variety of social behaviors. In zebra finches, oxytocin antagonists decrease pairing in both sexes, and pairing, in turn, increases expression of both mesotocin (the avian homologue of oxytocin) and vasotocin (the avian homologue of vasopressin). Increases in mesotocin and vasotocin mRNA are correlated with the amount of directed singing by males. Thus, in the present study, we examined the hypothesis that activation of cells containing nonapeptide receptors in song-related regions (ventral tegmental area, lateral septum, and medial preoptic nucleus) would also be correlated with directed singing in males. To rule out the possibility that these regions are involved in general pairing motivation, we also included females as subjects. In the ventral tegmental area, males had higher ZENK and V1aR than females and paired animals (regardless of sex) had higher ZENK and V1aR than did unpaired animals. In the medial preoptic nucleus, paired animals had higher ZENK than did unpaired animals, and there were no sex or pairing effects in the lateral septum. Only ZENK + V1aR in the medial preoptic nucleus was correlated with singing in males. These findings suggest that pairing is associated activation of nonapeptide receptors in the ventral tegmental area and the medial preoptic nucleus, but there is only partial evidence that courtship singing accounts for these findings. (PsycINFO Database Record PMID:27504854

  1. 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.

  2. 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.

  3. Differential water mite parasitism, phenoloxidase activity, and resistance to mites are unrelated across pairs of related damselfly species.

    PubMed

    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.

  4. 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

  5. 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.

  6. 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

  7. 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.

  8. 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.

  9. 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

  10. 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

  11. 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

  12. 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.

  13. Ultrastructural study and cholinesterase activity of paired capillaries in the newt brain.

    PubMed

    Ciani, F; Franceschini, V

    1984-01-01

    We have investigated the ultrastructural and histochemical (AChE and BuChE) features of intracerebral vessels in newt. The blood vessels of the newt brain are paired and end in a closed loop. The two limbs, each of them has delineate the lumen by one endothelial cell, are enclosed within a single basement membrane and are separated from each other by a thin intercapillary wall. The brain capillaries are un-fenestrated and the overlapping endothelial cells were connected by clefts. Ependymal astrocytes extensively ensheath the surface of brain capillaries, but the sheats are incomplete. Pericytes and mast cells are frequently sandwiched in the endothelial basal lamina. Microglial cells are also present adjacent to cerebral vessels. The newt cerebral capillaries are characterized by high levels of AChE. This enzyme is localized in the basal membrane and in extracellular spaces between the overlapping endothelial cells. The vascular walls are instead deprived of BuChE activity. The non-nervous role of cholinesterases is discussed.

  14. 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

  15. 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

  16. 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.

  17. 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.

  18. 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

  19. 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…

  20. Becoming a lone parent: a cognitive interactionist approach to appraising and coping during a crisis.

    PubMed

    Beattie, S; Viney, L L

    1980-11-01

    The utility of a cognitive interactionist approach to crisis, specifically that of becoming a lone parent through marital breakdown, was examined. The Lone Parenthood Scales, which provided information about positive and negative appraisals of the event and possible coping strategies, were administered to 101 members of Parents Without Partners. MANCOVA established two separate and systematic relationships between these multiple independent and dependent variables. One pattern of experience which emerged was of adaptive adjustment: positive appraisals of mobilization of personal resources, increased self-esteem and better relationships with the children were associated with coping by resignation to the situation and accepting help from others. The other was of passive self-preoccupation: negative appraisals of more emotional conflict and increased pressure from others were associated with no particular coping strategies but with renunciation of an active, positive approach to problems. Positive appraisals were found to be different for men and women, but the perceived instrumentality of the decision to separate proved to be relevant for negative appraisals. PMID:7437678

  1. Centromere pairing in early meiotic prophase requires active centromeres and precedes installation of the synaptonemal complex in maize.

    PubMed

    Zhang, Jing; Pawlowski, Wojciech P; Han, Fangpu

    2013-10-01

    Pairing of homologous chromosomes in meiosis is critical for their segregation to daughter cells. In most eukaryotes, clustering of telomeres precedes and facilitates chromosome pairing. In several species, centromeres also form pairwise associations, known as coupling, before the onset of pairing. We found that, in maize (Zea mays), centromere association begins at the leptotene stage and occurs earlier than the formation of the telomere bouquet. We established that centromere pairing requires centromere activity and the sole presence of centromeric repeats is not sufficient for pairing. In several species, homologs of the ZIP1 protein, which forms the central element of the synaptonemal complex in budding yeast (Saccharomyces cerevisiae), play essential roles in centromere coupling. However, we found that the maize ZIP1 homolog ZYP1 installs in the centromeric regions of chromosomes after centromeres form associations. Instead, we found that maize structural maintenance of chromosomes6 homolog forms a central element of the synaptonemal complex, which is required for centromere associations. These data shed light on the poorly understood mechanism of centromere interactions and suggest that this mechanism may vary somewhat in different species. PMID:24143803

  2. 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.

  3. Pairing of pre- and postsynaptic activities in cerebellar Purkinje cells induces long-term changes in synaptic efficacy in vitro.

    PubMed

    Crepel, F; Jaillard, D

    1991-01-01

    1. An in vitro slice preparation of rat cerebellar cortex was used to analyse long-lasting modifications of synaptic transmission at parallel fibre (PF)-Purkinje cell (PC) synapses. These use-dependent changes were induced by pairing PF-mediated EPSPs evoked at low frequency (1 Hz) with different levels of membrane polarization (or bioelectrical activities) of PCs for 15 min. 2. Experiments were performed on forty-eight PCs recorded intracellularly in a conventional perfused chamber, and in fifty other cells maintained in a static chamber either in the presence (n = 21) or in the absence (n = 29) of 400 nM-phorbol 12,13-dibutyrate (PDBu). 3. In these three experimental conditions, PF-mediated EPSPs were always measured on PCs maintained at a holding potential of -75 mV, and further hyperpolarized by constant hyperpolarizing pulses. This allowed us both to test the input resistance of PCs and to avoid their firing during PF-mediated EPSPs. 4. In all cells retained for the present study, latencies of PF-mediated EPSPs evoked at 0.2 Hz were stable during the pre-pairing period, and the same was true for their amplitude and time course. 5. In the perfused chamber, pairing of PF-mediated EPSPs with the same hyperpolarization of PCs as that used for measurements of synaptic responses had no effect on these EPSPs in 30% of PCs. It induced long-term depression (LTD) and long-term potentiation (LTP) in 23 and 47% of the tested cells respectively (n = 17). 6. In the perfused chamber, pairing of PF-mediated EPSPs with moderate depolarization of PCs (n = 19) giving rise to a sustained firing of sodium spikes significantly favoured the appearance of LTP as compared to the previous pairing protocol. However, there were still 27 and 15% of cells which showed no modification and LTD respectively. 7. In contrast, pairing of PF-mediated EPSPs with calcium (Ca2+) spikes evoked by strong depolarization of PCs (n = 12) led to LTD of synaptic transmission in nearly half of the tested

  4. 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

  5. Neural Correlates of Pair-bonding in a Monogamous Primate

    PubMed Central

    Bales, Karen L.; Mason, William A.; Catana, Cipiran; Cherry, Simon R.; Mendoza, Sally P.

    2008-01-01

    The neurobiology of social bonding, despite its relevance to human mental health, has been studied primarily in rodents. In this study we used position emission tomography (PET), registered with structural magnetic resonance imaging (MRI) to investigate central glucose uptake in seventeen males of a monogamous primate species, the titi monkey (Callicebus cupreus). Twelve pair-bonded males (including six with a lesion of the prefrontal cortex) and five lone males were scanned. The five lone males were re-scanned 48 hours after pairing with a female. Significant differences in glucose uptake were found between males in long-term pair-bonds and lone males in areas including the nucleus accumbens, ventral pallidum, medial preoptic area, medial amygdala, and the supraoptic nucleus of the hypothalamus. In paired before and after comparisons, males showed significant changes following pairing in the right nucleus accumbens and ventral pallidum but not in other areas. Lesioned males showed significantly higher uptake in the posterior cingulate cortex than all other males. These results indicate some basic similarities between rodents and primates in the formation and maintenance of selective social bonds, but emphasize the importance of studying long-term maintenance in addition to short-term formation of social bonds. PMID:17976540

  6. Activation of A-H bonds (A = B, C, N, O, Si) by using monovalent phosphorus complexes [RP→M].

    PubMed

    Mathey, Francois; Duan, Zheng

    2016-02-01

    The available data on the activation of A-H sigma bonds by electrophilic terminal phosphinidene complexes are reviewed. Theoretical computations allow us to rationalize the experimental results. It appears that a successful insertion needs an initial interaction between the phosphinidene and the A-H bond, such as a donor-acceptor complex with a lone pair, a Coulombic interaction due to a negative charge on A or H, or a proximity effect.

  7. 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.

  8. 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…

  9. 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.

  10. Representation of multi-target activity landscapes through target pair-based compound encoding in self-organizing maps.

    PubMed

    Iyer, Preeti; Bajorath, Jürgen

    2011-11-01

    Activity landscape representations provide access to structure-activity relationships information in compound data sets. In general, activity landscape models integrate molecular similarity relationships with biological activity data. Typically, activity against a single target is monitored. However, for steadily increasing numbers of compounds, activity against multiple targets is reported, resulting in an opportunity, and often a need, to explore multi-target structure-activity relationships. It would be attractive to utilize activity landscape representations to aid in this process, but the design of activity landscapes for multiple targets is a complicated task. Only recently has a first multi-target landscape model been introduced, consisting of an annotated compound network focused on the systematic detection of activity cliffs. Herein, we report a conceptually different multi-target activity landscape design that is based on a 2D projection of chemical reference space using self-organizing maps and encodes compounds as arrays of pair-wise target activity relationships. In this context, we introduce the concept of discontinuity in multi-target activity space. The well-ordered activity landscape model highlights centers of discontinuity in activity space and is straightforward to interpret. It has been applied to analyze compound data sets with three, four, and five target annotations and identify multi-target structure-activity relationships determinants in analog series.

  11. A pair of windmill-shaped enantiomers from Lindera aggregata with activity toward improvement of insulin sensitivity.

    PubMed

    Wang, Fei; Gao, Yuan; Zhang, Ling; Bai, Bing; Hu, Ya Nan; Dong, Ze Jun; Zhai, Qi Wei; Zhu, Hua Jie; Liu, Ji Kai

    2010-07-16

    (+)-Linderaspirone A and (-)-linderaspirone A, a pair of natural windmill-shaped enantiomers, were isolated from the traditional Chinese medicine plant Lindera aggregate by HPLC using a chiral column, achieving over 98% ee. Their structures and absolute configurations were determined on the basis of extensive analysis of NMR spectra, crystal X-ray diffraction, and calculation of the optical rotations (OR). They have an unprecedented carbon skeleton and showed significant activity against glucosamine-induced insulin resistance.

  12. Profiles and Transitions of Groups at Risk of Social Exclusion: Lone Parents. Final Report

    ERIC Educational Resources Information Center

    Kapsalis, Costa; Tourigny, Pierre

    2002-01-01

    This study attempts to determine why some lone parents escape low income or never enter spells of low income or social assistance (SA), while others remain in low income or on SA for many years. The ultimate goal of this research is to assist Human Resources Development Canada (HRDC) to identify policies that can help lone parents overcome…

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

    PubMed

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

    2016-05-03

    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.

  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. Equivalent activation of the hippocampus by face-face and face-laugh paired associate learning and recognition.

    PubMed

    Holdstock, J S; Crane, J; Bachorowski, J-A; Milner, B

    2010-11-01

    The human hippocampus is known to play an important role in relational memory. Both patient lesion studies and functional-imaging studies have shown that it is involved in the encoding and retrieval from memory of arbitrary associations. Two recent patient lesion studies, however, have found dissociations between spared and impaired memory within the domain of relational memory. Recognition of associations between information of the same kind (e.g., two faces) was spared, whereas recognition of associations between information of different kinds (e.g., face-name or face-voice associations) was impaired by hippocampal lesions. Thus, recognition of associations between information of the same kind may not be mediated by the hippocampus. Few imaging studies have directly compared activation at encoding and recognition of associations between same and different types of information. Those that have have shown mixed findings and been open to alternative interpretation. We used fMRI to compare hippocampal activation while participants studied and later recognized face-face and face-laugh paired associates. We found no differences in hippocampal activation between our two types of stimulus materials during either study or recognition. Study of both types of paired associate activated the hippocampus bilaterally, but the hippocampus was not activated by either condition during recognition. Our findings suggest that the human hippocampus is normally engaged to a similar extent by study and recognition of associations between information of the same kind and associations between information of different kinds.

  16. 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.

  17. 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.

  18. Lone or idiopathic atrial fibrillation, messenger of misery in sight.

    PubMed

    Weijs, B; Crijns, H J G M

    2014-12-20

    This editorial refers to 'Gender-related differences in risk of cardiovascular morbidity and all-cause mortality in patients hospitalized with incident atrial fibrillation without concomitant diseases: a nationwide cohort study of 9519 patients' by T. Andersson et al. In order to adequately describe root causes and adverse consequences of apparently idiopathic AF, the requested study population has to be large and be followed for a very long time. Andersson et al. adequately deployed the excellent national Swedish health registries in order to cover the hiatus of aforementioned studies in the current idiopathic AF literature. Considering the notion that patients with idiopathic or lone AF have comparable prospects as AF patients overall but are only caught early in their 'arrhythmia and vascular career', the study by Andersson et al. should trigger physicians to give high priority to exposing predisposing factors or early stages of underlying cardiovascular disease in such a way that preventative measures can be accurately deployed in these patients.

  19. Lone star tick (Acari: Ixodidae) occurrence in Nebraska: historical and current perspectives.

    PubMed

    Cortinas, R; Spomer, S

    2013-03-01

    In 2010 and 2011, field collections were undertaken to determine the geographic range of the lone star tick, Amblyomma americanum (L.), in Nebraska In addition, tick identifications from submissions by the general public dating to 1911 were examined. Consistent lone star tick identifications from extreme southeast Nebraska began in 1987. Specimens have been identified from 27 counties, making lone star ticks the second most frequently and second most widely reported tick in the state after Dermacentor variabilis (Say). Surveys conducted in 70 sites in 43 counties yielded 2,169 ticks of which 1,035 were lone star ticks. Lone star ticks were more frequent in the southeast portion of the state and ticks were found in nine counties from which there were no known submissions. Life stage peaks observed during the surveys corresponded with those observed from submissions. Other ticks, incidental to the study, were also collected. Woody plant expansion into the tallgrass prairie, white-tailed deer (Odocoileus virgianianus L.) and wild turkey (Meleagris gallopavo L.) population growth, and the increased frequency of milder winters may be facilitating lone star tick occurrence in the region. Further studies will assess lone star tick establishment and disease pathogen prevalence in the state.

  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. Dihydrogen activation by frustrated carbene-borane Lewis pairs: an experimental and theoretical study of carbene variation.

    PubMed

    Kronig, Sabrina; Theuergarten, Eileen; Holschumacher, Dirk; Bannenberg, Thomas; Daniliuc, Constantin G; Jones, Peter G; Tamm, Matthias

    2011-08-01

    A variety of Lewis acid-base pairs consisting of tris(pentafluorophenyl)borane, B(C(6)F(5))(3), in combination with sterically demanding five- and six-membered N-heterocyclic carbenes (NHCs) of the imidazolin-2-ylidene, imidazolidin-2-ylidene, and tetrahydropyrimidin-2-ylidene types were investigated with respect to their potential to act as frustrated Lewis pairs (FLP) by reaction with dihydrogen (H(2)) and tetrahydrofuran (THF). A sufficient degree of "frustration" was usually established by introduction of a 1,3-di-tert-butyl or 1,3-diadamantyl carbene substitution pattern, which allows an unquenched acid-base reactivity and thus leads to heterolytic dihydrogen activation and ring-opening of THF. In contrast, 1,3-bis(2,6-diisopropylphenyl)-substituted carbenes showed ambiguous behavior, and the corresponding five-membered imidazolin-2-ylidene formed a stable carbene-B(C(6)F(5))(3) adduct, whereas fast C-F activation and formation of a zwitterionic pyrimidinium-fluoroborate was observed for the six-membered tetrahydropyrimidin-2-ylidene. A stable adduct was also isolated for the combination of the acyclic carbene bis(diisopropylamino)methylene with B(C(6)F(5))(3), and consequently no reactivity toward H(2) and THF was observed. To rationalize the reactivity of the carbene-borane Lewis pairs, the thermodynamics of adduct formation with B(C(6)F(5))(3) were calculated for 10 different carbenes; the stability (or instability) of these adducts can be used as a good measure of the degree of "frustration".

  2. Entry to lone parenthood: an analysis of marital dissolution in Great Britain.

    PubMed

    Ermisch, J F; Wright, R E

    1994-01-01

    "This paper examines some...socio-economic determinants of lone parenthood in Great Britain, in an attempt to understand further the reasons behind the rapid growth in lone parenthood. Since divorce and separation are the major 'causes' of lone parenthood, this paper focuses on the determinants of marital dissolution among women with dependent children. The empirical analysis is guided by hypotheses suggested by the 'economic theory of marriage'. Hazard regression equations are estimated with data collected in the 1980 Women and Employment Survey...." (SUMMARY IN FRE AND ITA)

  3. 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.

  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. A Matched-Pairs Study of Interactive Computer Laboratory Activities in a Liberal Arts Math Course

    ERIC Educational Resources Information Center

    Butler, Frederick; Butler, Melanie

    2011-01-01

    This paper details the culmination of a large, multi-year study on the effects of an interactive computer laboratory component in a large liberal arts math course at a state university. After several semesters of piloting these laboratory activities in the course, one of two sections, taught by the same senior instructor, was randomly selected to…

  7. Activation Energies for Dissociation of Double Strand Oligonucleotide Anions: Evidence for Watson–Crick Base Pairing in Vacuo

    PubMed Central

    Schnier, Paul D.; Klassen, John S.; Strittmatter, Eric F.; Williams*, Evan R.

    2005-01-01

    The dissociation kinetics of a series of complementary and noncomplementary DNA duplexes, (TGCA)23−, (CCGG)23−, (AATTAAT)23−, (CCGGCCG)23−, A7·T73−, A7·A73−, T7·T73−, and A7·C73− were investigated using blackbody infrared radiative dissociation in a Fourier transform mass spectrometer. From the temperature dependence of the unimolecular dissociation rate constants, Arrhenius activation parameters in the zero-pressure limit are obtained. Activation energies range from 1.2 to 1.7 eV, and preexponential factors range from 1013 to 1019 s−1. Dissociation of the duplexes results in cleavage of the noncovalent bonds and/or cleavage of covalent bonds leading to loss of a neutral nucleobase followed by backbone cleavage producing sequence-specific (a – base) and w ions. Four pieces of evidence are presented which indicate that Watson–Crick (WC) base pairing is preserved in complementary DNA duplexes in the gas phase: i. the activation energy for dissociation of the complementary dimer, A7·T73−, to the single strands is significantly higher than that for the related noncomplementary A7·A73− and T7·T73− dimers, indicating a stronger interaction between strands with a specific base sequence, ii. extensive loss of neutral adenine occurs for A7·A73− and A7·C73− but not for A7·T73− consistent with this process being shut down by WC hydrogen bonding, iii. a correlation is observed between the measured activation energy for dissociation to single strands and the dimerization enthalpy (−ΔHd) in solution, and iv. molecular dynamics carried out at 300 and 400 K indicate that WC base pairing is preserved for A7·T73− duplex, although the helical structure is essentially lost. In combination, these results provide strong evidence that WC base pairing can exist in the complete absence of solvent. PMID:16498487

  8. Ion pairing with linoleic acid simultaneously enhances encapsulation efficiency and antibacterial activity of vancomycin in solid lipid nanoparticles.

    PubMed

    Kalhapure, Rahul S; Mocktar, Chunderika; Sikwal, Dhiraj R; Sonawane, Sandeep J; Kathiravan, Muthu K; Skelton, Adam; Govender, Thirumala

    2014-05-01

    Ion pairing of a fatty acid with an antibiotic may be an effective strategy for formulation optimization of a nanoantibiotic system. The aim of this study was therefore to explore the potential of linoleic acid (LA) as an ion pairing agent to simultaneously enhance encapsulation efficiency and antibacterial activity of triethylamine neutralized vancomycin (VCM) in solid lipid nanoparticles (SLNs). The prepared VCM-LA2 conjugate was characterized by Fourier transform-infrared (FT-IR) spectroscopy, logP and binding energy calculations. The shifts in the FT-IR frequencies of COOH, NH2 and CO functionalities, an increase in logP value (1.37) and a lower interaction energy between LA and VCM (-125.54 kcal/mol) confirmed the formation of the conjugate. SLNs were prepared by a hot homogenization and ultrasonication method, and characterized for size, polydispersity index (PI), zeta potential (ZP), entrapment efficiency (%EE), surface morphology and physical stability. In vitro antibacterial activity studies against Staphylococcus aureus and methicillin-resistant S. aureus (MRSA) were conducted. Size, PI and ZP for VCM-LA2_SLNs were 102.7±1.01, 0.225±0.02 and -38.8±2.1 (mV) respectively. SLNs were also stable at 4 °C for 3 months. %EE for VCM-HCl_SLNs and VCM-LA2_SLNs were 16.81±3.64 and 70.73±5.96 respectively, indicating a significant improvement in encapsulation of the drug through ion pairing with LA. Transmission electron microscopy images showed spherical nanoparticles with sizes in the range of 95-100 nm. After 36 h, VCM-HCl showed no activity against MRSA. However, the minimum inhibitory concentration for VCM-HCl_SLNs and VCM-LA2_SLNs were 250 and 31.25 μg/ml respectively against S. aureus, while against MRSA it was 500 and 15.62 μg/ml respectively. This confirms the enhanced antibacterial activity of VCM-LA2_SLNs over VCM-HCl_SLNs. These findings therefore suggest that VCM-LA2_SLNs is a promising nanoantibiotic system for effective treatment against both

  9. The ocs element: a 16 base pair palindrome essential for activity of the octopine synthase enhancer

    PubMed Central

    Ellis, J. G.; Llewellyn, D. J.; Walker, J. C.; Dennis, E. S.; Peacock, W. J.

    1987-01-01

    A 176 bp DNA sequence lying upstream of the octopine synthase (ocs) promoter, previously shown to have enhancer-like properties in transgenic tobacco [Ellis et al. (1987) EMBO J., 6, 11-16], functions as an enhancer in protoplasts of Zea mays (a monocot plant) and Nicotiana plumbaginifolia (a dicotplant). We have characterized this element by transient expression assays using a linked alcohol dehydrogenase (Adh1) promoter from Z. mays and the chloramphenicol acetyltransferase coding sequences. The ocs sequence functions in both orientations but its enhancing activity is dependent upon its distance from the Adh1 promoter. Transient expression assays using deletion mutants and synthetic oligonucleotides show that a 16 bp palindrome ACGTAAGCGCTTACGT, contained within the 176 bp fragment, is essential and sufficient for enhancing activity in transient expression assays. ImagesFig. 2.Fig. 4.Fig. 5. PMID:16453801

  10. 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.

  11. 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.

  12. 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…

  13. Poor social performance of lonely people: lacking a skill or adopting a role?

    PubMed

    Vitkus, J; Horowitz, L M

    1987-06-01

    A substantial literature has shown that lonely people differ from nonlonely people on a variety of measures of social performance. These differences have usually been conceptualized as a social skills deficit, which implies that lonely people lack the ability to perform appropriate and effective social behavior. Rather than a lack of this ability, the authors hypothesize that the adoption of passive interpersonal roles predisposes lonely people to exhibit inadequate performance. In order to test this hypothesis, lonely and nonlonely subjects were assigned to one of two roles: They either listened (Condition Li) to an interaction partner describe a personal problem or they themselves described a personal problem (Condition Pr) to their partner. The subjects' interpersonal role produced a substantial effect on their social behavior. Subjects who listened to their partner describe a problem generated more solutions to a set of hypothetical situations, attended to their partners more adequately, and conversed longer than did subjects who described a personal problem. In contrast, lonely subjects did not differ from nonlonely subjects in their social performance within each particular role. Lonely and nonlonely subjects did differ, however, in their subjective evaluations of themselves and of their performance. These results illustrate the need for research to address both the interpersonal and the intrapersonal bases of social performance.

  14. Identifying a selective substrate and inhibitor pair for the evaluation of CYP2J2 activity.

    PubMed

    Lee, Caroline A; Jones, J P; Katayama, Jonathan; Kaspera, Rüdiger; Jiang, Ying; Freiwald, Sascha; Smith, Evan; Walker, Gregory S; Totah, Rheem A

    2012-05-01

    CYP2J2, an arachidonic acid epoxygenase, is recognized for its role in the first-pass metabolism of astemizole and ebastine. To fully assess the role of CYP2J2 in drug metabolism, a selective substrate and potent specific chemical inhibitor are essential. In this study, we report amiodarone 4-hydoxylation as a specific CYP2J2-catalyzed reaction with no CYP3A4, or other drug-metabolizing enzyme, involvement. Amiodarone 4-hydroxylation enabled the determination of liver relative activity factor and intersystem extrapolation factor for CYP2J2. Amiodarone 4-hydroxylation correlated with astemizole O-demethylation but not with CYP2J2 protein content in a sample of human liver microsomes. To identify a specific CYP2J2 inhibitor, 138 drugs were screened using terfenadine and astemizole as probe substrates with recombinant CYP2J2. Forty-two drugs inhibited CYP2J2 activity by ≥50% at 30 μM, but inhibition was substrate-dependent. Of these, danazol was a potent inhibitor of both hydroxylation of terfenadine (IC(50) = 77 nM) and O-demethylation of astemizole (K(i) = 20 nM), and inhibition was mostly competitive. Danazol inhibited CYP2C9, CYP2C8, and CYP2D6 with IC(50) values of 1.44, 1.95, and 2.74 μM, respectively. Amiodarone or astemizole were included in a seven-probe cocktail for cytochrome P450 (P450) drug-interaction screening potential, and astemizole demonstrated a better profile because it did not appreciably interact with other P450 probes. Thus, danazol, amiodarone, and astemizole will facilitate the ability to determine the metabolic role of CYP2J2 in hepatic and extrahepatic tissues. PMID:22328583

  15. (±)-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

  16. (±)-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.

  17. Reinstatement of pain-related brain activation during the recognition of neutral images previously paired with nociceptive stimuli.

    PubMed

    Forkmann, Katarina; Wiech, Katja; Sommer, Tobias; Bingel, Ulrike

    2015-08-01

    Remembering an event partially reactivates cortical and subcortical brain regions that were engaged during its experience and encoding. Such reinstatement of neuronal activation has been observed in different sensory systems, including the visual, auditory, olfactory, and somatosensory domain. However, so far, this phenomenon of incidental memory has not been explored in the context of pain. In this functional magnetic resonance imaging study, we investigated the neural reinstatement of pain-related and tone-related activations during the recognition of neutral images that had been encoded during (1) painful stimulation, (2) auditory stimulation of comparable unpleasantness, or (3) no additional stimulation. Stimulus-specific reinstatement was tested in 24 healthy male and female participants who performed a visual categorization task (encoding) that was immediately followed by a surprise recognition task. Neural responses were acquired in both sessions. Our data show a partial reinstatement of brain regions frequently associated with pain processing, including the left posterior insula, bilateral putamen, and right operculum, during the presentation of images previously paired with painful heat. This effect was specific to painful stimuli. Moreover, the bilateral ventral striatum showed stronger responses for remembered pain-associated images as compared with tone-associated images, suggesting a higher behavioral relevance of remembering neutral pictures previously paired with pain. Our results support the biological relevance of pain in that only painful but not equally unpleasant auditory stimuli were able to "tag" neutral images during their simultaneous presentation and reactivate pain-related brain regions. Such mechanisms might contribute to the development or maintenance of chronic pain and deserve further investigation in clinical populations.

  18. 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

  19. 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.

  20. Discovery of Small-Molecule Nonfluorescent Inhibitors of Fluorogen-Fluorogen Activating Protein Binding Pair.

    PubMed

    Wu, Yang; Stauffer, Shaun R; Stanfield, Robyn L; Tapia, Phillip H; Ursu, Oleg; Fisher, Gregory W; Szent-Gyorgyi, Christopher; Evangelisti, Annette; Waller, Anna; Strouse, J Jacob; Carter, Mark B; Bologa, Cristian; Gouveia, Kristine; Poslusney, Mike; Waggoner, Alan S; Lindsley, Craig W; Jarvik, Jonathan W; Sklar, Larry A

    2016-01-01

    A new class of biosensors, fluorogen activating proteins (FAPs), has been successfully used to track receptor trafficking in live cells. Unlike the traditional fluorescent proteins (FPs), FAPs do not fluoresce unless bound to their specific small-molecule fluorogens, and thus FAP-based assays are highly sensitive. Application of the FAP-based assay for protein trafficking in high-throughput flow cytometry resulted in the discovery of a new class of compounds that interferes with the binding between fluorogens and FAP, thus blocking the fluorescence signal. These compounds are high-affinity, nonfluorescent analogs of fluorogens with little or no toxicity to the tested cells and no apparent interference with the normal function of FAP-tagged receptors. The most potent compound among these, N,4-dimethyl-N-(2-oxo-2-(4-(pyridin-2-yl)piperazin-1-yl)ethyl)benzenesulfonamide (ML342), has been investigated in detail. X-ray crystallographic analysis revealed that ML342 competes with the fluorogen, sulfonated thiazole orange coupled to diethylene glycol diamine (TO1-2p), for the same binding site on a FAP, AM2.2. Kinetic analysis shows that the FAP-fluorogen interaction is more complex than a homogeneous one-site binding process, with multiple conformational states of the fluorogen and/or the FAP, and possible dimerization of the FAP moiety involved in the process.

  1. Familial risk and ADHD-specific neural activity revealed by case-control, discordant twin pair design.

    PubMed

    Godinez, Detre A; Willcutt, Erik G; Burgess, Gregory C; Depue, Brendan E; Andrews-Hanna, Jessica R; Banich, Marie T

    2015-09-30

    Individuals with ADHD, as well as their family members who do not meet clinical criteria, have shown deficits in executive function. However, it remains unclear whether underlying neural alterations are familial or ADHD-specific. To investigate this issue, neural activation underlying executive function was assessed using functional magnetic resonance imaging during performance of a Stroop task in three groups of individuals: 20 young adults who were diagnosed with ADHD in childhood, their 20 dizygotic co-twins without ADHD in childhood, and 20 unrelated controls selected from dizygotic twin pairs in which neither twin had ADHD in childhood (total n=60). Implicating the frontoparietal network as a location of effects specific to ADHD, activation in the superior frontal (Brodmann's Area - BA 6) and parietal regions (BA 40) was significantly reduced in twins with childhood ADHD compared to both their control co-twins and unrelated control twins. Consistent with familial influences, activity in the anterior cingulate and insula was significantly reduced in both the twins with ADHD and their co-twins compared to the unrelated controls. These results show that both ADHD-specific and familial influences related to an ADHD diagnosis impact neural systems underlying executive function. PMID:26256128

  2. Health-Related Findings Among Twin Pairs Discordant for Leisure-Time Physical Activity for 32 Years: The TWINACTIVE Study Synopsis.

    PubMed

    Leskinen, Tuija; Kujala, Urho M

    2015-06-01

    We are lacking very long-term and controlled intervention studies investigating the effects of habitual physical activity on health-related factors. To address this gap, we performed a natural experiment by identifying same-sex twin pairs in which the co-twins of each pair differed with respect to leisure-time physical-activity habits throughout their adult life. Our criterion for the discordance was that the same co-twin had a higher leisure time-activity volume than that of the other member of the pair at the majority -- if not all -- of the follow-up time points according to reported/interviewed physical-activity data. Overall, we identified and conducted multidimensional health-related measurements (including fitness, body composition, cardiometabolic risk factor levels, bone and arterial status, and exercise motivation) of 16 twin pairs (seven monozygotic (MZ) and nine dizygotic (DZ) pairs, mean age 60 years) who had persistent discordance in leisure-time physical-activity habits over three decades (TWINACTIVE study). In our discordant-pair study design, after adjusting for sequence-level genes, both systemic-level metabolic, and site-specific structural findings differed significantly in the pairwise analysis in MZ pairs only. These findings included intrapair differences in accumulated fat depots and structure of heart, arteries, and bones. In addition, our study revealed intrapair differences in metabolic and regulatory pathways, which may partly explain the mechanistic links between long-term physical activity, phenotypic changes, and decreased risk of cardiometabolic diseases. PMID:25906784

  3. 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

  4. 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

  5. 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.

  6. Characterization of DNA binding and pairing activities associated with the native SFPQ•NONO DNA repair protein complex

    PubMed Central

    Udayakumar, Durga; Dynan, William S.

    2015-01-01

    Nonhomologous end joining (NHEJ) is a major pathway for repair of DNA double-strand breaks. We have previously shown that a complex of SFPQ (PSF) and NONO (p54nrb) cooperates with Ku protein at an early step of NHEJ, forming a committed preligation complex and stimulating end-joining activity by 10-fold or more. SFPQ and NONO show no resemblance to other repair factors, and their mechanism of action is uncertain. Here, we use an optimized microwell-based assay to characterize the in vitro DNA binding behavior of the native SFPQ•NONO complex purified from human (HeLa) cells. SFPQ•NONO and Ku protein bind independently to DNA, with little evidence of cooperativity and only slight mutual interference at high concentration. Whereas Ku protein requires free DNA ends for binding, SFPQ•NONO does not. Both Ku and SFPQ•NONO have pairing activity, as measured by the ability of DNA-bound protein to capture a second DNA fragment in a microwell-based assay. Additionally, SFPQ•NONO stimulates DNA-dependent protein kinase autophosphorylation, consistent with the ability to promote formation of a synaptic complex formation without occluding the DNA termini proper. These findings suggest that SFPQ•NONO promotes end joining by binding to internal DNA sequences and cooperating with other repair proteins to stabilize a synaptic pre-ligation complex. PMID:25998385

  7. 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

  8. 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.

  9. 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

  10. A white-tailed deer/lone star tick model for studying transmission of Ehrlichia chaffeensis.

    PubMed

    Jaworski, Deborah C; Bowen, C Jerry; Wasala, Nalinda B

    2013-03-01

    Animal models for Ehrlichia chaffeensis have been unsuccessful in recapitulating the natural disease cycle. We have developed an animal model for tick feeding and transmission using white-tailed deer (Odocoileus virgianus), the intracellular bacterium (Ehrlichia chaffeensis), and the lone star tick vector (Amblyomma americanum). Here, we report the acquisition and transmission of E. chaffeensis infections by refeeding male ticks in this experimental model. This finding is important because techniques for gene silencing are most successful for unfed adult ticks. Males are able to refeed several days after acquiring a tick-borne pathogen. Using refeeding male lone star ticks and RNA interference technology, we plan to decipher underlying molecular mechanisms involved in transmitting E. chaffeensis to a host via a lone star tick bite.

  11. 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.

  12. Differential activation of the 21-base-pair enhancer element of human T-cell leukemia virus type I by its own trans-activator and cyclic AMP.

    PubMed Central

    Nakamura, M; Niki, M; Ohtani, K; Sugamura, K

    1989-01-01

    A transcriptional trans-acting factor p40tax of human T-cell leukemia virus type I (HTLV-I) functions as an inducer for expression of HTLV-I provirus via activation of the enhancer in the long terminal repeat of HTLV-I. In addition to p40tax and a tumor promoter 12-O-tetradecanoylphorbol-13-acetate (TPA), an activator of protein kinase C, we report here that forskolin, an activator of adenyl cyclase, also induces function of the HTLV-I enhancer. Experiments with mutants of the HTLV-I enhancer revealed that TPA-induced activation was not mediated by solely a 21-base-pair (bp) sequence that is repeated three times in the enhancer, whereas the 21-bp enhancer element can act as a sufficient cis-acting sequence for activation by both p40tax and forskolin. In addition, we found that nuclear factor(s) like the cyclic AMP-responsive element (CRE) binding factor could bind to the HTLV-I 21-bp enhancer element. However, a difference was found in sequences required for activation by p40tax and forskolin. A CRE related sequence present in the 21-bp enhancer element was enough for forskolin-induced activation. On the other hand, p40tax required a much longer sequence that is overlapping but not identical to the CRE related sequence, suggesting that the forskolin-induced cyclic AMP pathway may be partly involved in, but not sufficient for p40tax-mediating trans-activation of the HTLV-I enhancer. Images PMID:2548156

  13. The association of lone-motherhood with smoking cessation and relapse: prospective results from an Australian national study.

    PubMed

    Siahpush, Mohammad; Shaikh, Raees A; Tibbits, Melissa; Huang, Terry T-K; Singh, Gopal K

    2013-07-12

    The aims were to examine the association of lone-motherhood with smoking cessation and relapse, and to investigate the extent to which this association was accounted for by socioeconomic status (education, occupation, and income), social support, and mental health. We used data from 10 yearly waves (2001 to 2010) of the Household Income and Labour Dynamics in Australia (HILDA) survey. Response rate in the first wave was 66%. Logistic regression was used to examine the effect of lone-motherhood and other covariates on smoking cessation (n = 2,878) and relapse (n = 3,242). Results showed that the age-adjusted odds of smoking cessation were 32% smaller among lone mothers than partnered mothers (p = 0.004). The age-adjusted odds of relapse was 172% greater among lone mothers than partnered mothers (p < 0.001). We found that socioeconomic status, social support, and mental health account for some of the association of lone motherhood and cessation and relapse. While efforts to reduce the smoking prevalence among lone mothers should focus on their material deprivation, availability of social support, and addressing mental health issues, other factors unique to the lives of lone mothers also need to be taken into account. More research is needed to discover other factors that can explain the association of lone-motherhood and smoking behavior.

  14. 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

  15. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2015-01-01

    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 a3B1 states of CF2 and SF2, which are formed by the addition of a fluorine atom to the a4Σ- states of CF and SF, both of which possess recoupled pair bonds. The two dyads are very different. In SF2, the second FS-F bond is very strong (De = 106.3 kcal/mol), the bond length is much shorter than that in the SF(a4Σ-) state (1.666 Å versus 1.882 Å), and the three atoms are nearly collinear (θe = 162.7°) with only a small barrier to linearity (0.4 kcal/mol). In CF2, the second FC-F bond is also very strong (De = 149.5 kcal/mol), but the bond is only slightly shorter than that in the CF(a4Σ-) state (1.314 Å versus 1.327 Å), and the molecule is strongly bent (θe = 119.0°) with an 80.5 kcal/mol barrier to linearity. The a3B1 states of CF2 and SF2 illustrate the fundamental differences between recoupled pair bond dyads formed from 2s and 3p lone pairs.

  17. Age-Dependent Differences in the Strength and Persistence of Psychostimulant-Induced Conditioned Activity in Rats: Effects of a Single Environment-Cocaine Pairing

    PubMed Central

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

    2014-01-01

    The purpose 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 showed that adult rats exhibited 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 exhibited 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 age of the animal. The data provided by adult rats have potential translational relevance for humans because a single environment-drug pairing caused long-term alterations in behavior. PMID:25171082

  18. 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.

  19. 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)

  20. 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...

  1. 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,...

  2. 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…

  3. "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…

  4. 49 CFR 214.337 - On-track safety procedures for lone workers.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... RAILROAD ADMINISTRATION, DEPARTMENT OF TRANSPORTATION RAILROAD WORKPLACE SAFETY Roadway Worker Protection... safety only where permitted by this section and the on-track safety program of the railroad. (b) A lone...-track equipment is not impaired by background noise, lights, precipitation, fog, passing trains, or...

  5. Estrogen receptor 1 gene (TA)n polymorphism is associated with lone atrial fibrillation in men

    PubMed Central

    Golubić, Karlo; Šmalcelj, Anton; Sertić, Jadranka; Juričić, Ljiljana

    2014-01-01

    Aim To determine the association between the number of thymine-adenine (TA)n dinucleotide repeats in the promoter region of the gene coding for the estrogen receptor alpha (ESR1) and the prevalence of lone atrial fibrillation (AF) in men. Methods We conducted a case-control study involving 89 men with lone AF and 166 healthy male controls. The ESR1 genotype was established by polymerase chain reaction and capillary electrophoresis. To assess the association of ESR1 genotype with AF, logistic regression models were built with AF as outcome. Results Men with lone AF had significantly greater number of (TA)n repeats of single alleles than controls (mean ± standard deviation, 19.2 ± 4.2 vs 18 ± 4.3, P = 0.010). After adjustment for other factors, a unit-increase in (TA)n repeat number was associated with a significantly greater likelihood of AF (odds ratio 1.069; 95% confidence interval 1.024-1.116, P = 0.002). Conclusions Our results indicate that a greater number of (TA)n repeats in the promoter region of ESR1 is associated with a significantly increased likelihood of lone atrial fibrillation in men. PMID:24577825

  6. Negotiating the Risk of Debt-Financed Higher Education: The Experience of Lone Parent Students

    ERIC Educational Resources Information Center

    Hinton-Smith, Tamsin

    2016-01-01

    Widening participation has opened higher education (HE) to diverse learners, but in doing so has created challenges negotiating situations of disadvantaged positioning compared with peers conforming more closely to the ideal "bachelor boy" student. As one of the most financially vulnerable groups of students, lone parents occupy a doubly…

  7. Lone-Parent Families. The Economic Challenge. OECD Social Policy Studies No. 8.

    ERIC Educational Resources Information Center

    Duskin, Elizabeth, Ed.

    This volume is based on papers presented at a conference of social policy experts that looked at the growth in lone-parent families, the problems that have emerged, and their policy implications. Chapter 1 is an "Overview" (Duskin). Three chapters look at demographic trends over time and over the life-cycle; they are: "Demographic Aspects of the…

  8. Success as a Lone Arranger: Setting Priorities and Getting the Job Done

    ERIC Educational Resources Information Center

    Pevar, Susan

    2005-01-01

    The archivist who works alone in a repository, rather than as part of a team-the so-called "Lone Arranger"--has the responsibility of handling all areas of archives management, including appraising, accessioning, processing, arrangement and description, reference, and outreach. This essay describes one real-life situation, in which the normal…

  9. Mutational Spectrum of the NKX2-5 Gene in Patients with Lone Atrial Fibrillation

    PubMed Central

    Yu, Hong; Xu, Jia-Hong; Song, Hao-Ming; Zhao, Lan; Xu, Wen-Jun; Wang, Juan; Li, Ruo-Gu; Xu, Lei; Jiang, Wei-Feng; Qiu, Xing-Biao; Jiang, Jin-Qi; Qu, Xin-Kai; Liu, Xu; Fang, Wei-Yi; Jiang, Jin-Fa; Yang, Yi-Qing

    2014-01-01

    Atrial fibrillation (AF) is the most common form of sustained cardiac arrhythmia in humans and is responsible for substantial morbidity and mortality worldwide. Emerging evidence indicates that abnormal cardiovascular development is involved in the pathogenesis of AF. In this study, the coding exons and splice sites of the NKX2-5 gene, which encodes a homeodomain-containing transcription factor essential for cardiovascular genesis, were sequenced in 146 unrelated patients with lone AF as well as the available relatives of the mutation carriers. A total of 700 unrelated ethnically matched healthy individuals used as controls were genotyped. The disease-causing potential of the identified NKX2-5 variations was predicted by MutationTaster and PolyPhen-2. The functional characteristics of the mutant NKX2-5 proteins were analyzed using a dual-luciferase reporter assay system. As a result, two heterozygous NKX2-5 mutations, including a previously reported p.E21Q and a novel p.T180A mutation, were identified in two families with AF transmitted in an autosomal dominant pattern. The mutations co-segregated with AF in the families with complete penetrance. The detected substitutions, which altered the amino acids highly conserved evolutionarily across species, were absent in 700 control individuals and were both predicted to be causative. Functional analyses demonstrated that the NKX2-5 mutants were associated with significantly decreased transcriptional activity compared with their wild-type counterpart. The findings expand the spectrum of NKX2-5 mutations linked to AF and provide additional evidence that dysfunctional NKX2-5 may confer vulnerability to AF, suggesting the potential benefit for the early prophylaxis and personalized treatment of AF. PMID:24782644

  10. Role of solvent permittivity in estimation of electrolyte activity coefficients for systems with ion pairing on the basis of the mean spherical approximation. Technical report

    SciTech Connect

    Tikanen, A.C.; Fawcett, R.R.

    1996-10-01

    Mean ionic activity coefficient for aqueous solutions of CdCl2, CuCl2, MgCl2, Na2SO4 and CdSO4, systems for which dielectric relaxation data have recently been obtained, can be estimated accurately on the basis of a modified version of the mean spherical approximation (MSA) for electrolyte solutions with consideration of ion pairing. The modification makes use of the actual solution permittivity rather than the permittivity of the pure solvent. Reasonable ion pairing association constants, Kas, have been determined by fitting the theoretically determined mean ionic activity coefficients to experimentally measured values in the range of concentration for which the dielectric permittivity data exist using one additional adjustable parameter, namely, the restricted diameter for all species involved.

  11. 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

  12. 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.

  13. 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 ...

  14. 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

  15. 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.

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

    PubMed Central

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

    2016-01-01

    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

  17. Learning from "Knocks in Life": Food Insecurity among Low-Income Lone Senior Women.

    PubMed

    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.

  18. 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

  19. 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

  20. 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

  1. 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.

  2. 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.

  3. Determination of UV active inorganic anions in potable and high salinity water by ion pair reversed phase liquid chromatography.

    PubMed

    Sadiq Khan, Sadaf; Riaz, M

    2014-05-01

    Reversed phase column was dynamically modified into anion exchange column using various types of tetraalkylammonium salts as ion pair reagents (IPRs) for the separation and quantification of toxic anions such as nitrite, bromate, bromide and nitrate in potable and high salinity water. Various chromatographic parameters such as types and concentration of IPRs, concentration of organic modifier, phosphate buffer and mobile phase pH were optimized for the base-line separation of anions. The lowest detection limits (LDLs) were 0.2 for nitrate and nitrite, 0.6 µg ml(-1)for bromate and bromide respectively for potable water samples. NaCl and Na₂SO₄ were incorporated in the mobile phase for the analysis of high salinity water samples to minimize matrix interferences. This has resulted in change in elution order of anions, better tolerance of matrix anions such as chloride and sulphate. The developed method was successfully utilized for analysis of anions in potable, high salinity and sea water samples.

  4. 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.

  5. 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

  6. 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

  7. 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.

  8. Two Pairs of Conserved Cysteines Are Required for the Oxidative Activity of Ero1p in Protein Disulfide Bond Formation in the Endoplasmic Reticulum

    PubMed Central

    Frand, Alison R.; Kaiser, Chris A.

    2000-01-01

    In the major pathway for protein disulfide-bond formation in the endoplasmic reticulum (ER), oxidizing equivalents flow from the conserved ER-membrane protein Ero1p to secretory proteins via protein disulfide isomerase (PDI). Herein, a mutational analysis of the yeast ERO1 gene identifies two pairs of conserved cysteines likely to form redox-active disulfide bonds in Ero1p. Cys100, Cys105, Cys352, and Cys355 of Ero1p are important for oxidative protein folding and for cell viability, whereas Cys90, Cys208, and Cys349 are dispensable for these functions. Substitution of Cys100 with alanine impedes the capture of Ero1p-Pdi1p mixed-disulfide complexes from yeast, and also blocks oxidation of Pdi1p in vivo. Cys352 and Cys355 are required to maintain the fully oxidized redox state of Ero1p, and also play an auxiliary role in thiol–disulfide exchange with Pdi1p. These results suggest a model for the function of Ero1p wherein Cys100 and Cys105 form a redox-active disulfide bond that engages directly in thiol–disulfide exchange with ER oxidoreductases. The Cys352–Cys355 disulfide could then serve to reoxidize the Cys100–Cys105 cysteine pair, possibly through an intramolecular thiol–disulfide exchange reaction. PMID:10982384

  9. 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

  10. 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

  11. 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

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

    PubMed

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

    2015-01-19

    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.

  13. Powered Tate Pairing Computation

    NASA Astrophysics Data System (ADS)

    Kang, Bo Gyeong; Park, Je Hong

    In this letter, we provide a simple proof of bilinearity for the eta pairing. Based on it, we show an efficient method to compute the powered Tate pairing as well. Although efficiency of our method is equivalent to that of the Tate pairing on the eta pairing approach, but ours is more general in principle.

  14. 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.

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

    PubMed

    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

  16. 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

  17. 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

  18. 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

    2015-01-05

    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.

  19. 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

  20. 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.

  1. 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

  2. Lone Star Tick-Infecting Borreliae Are Most Closely Related to the Agent of Bovine Borreliosis

    PubMed Central

    Rich, Stephen M.; Armstrong, Philip M.; Smith, Ronald D.; Telford, Sam R.

    2001-01-01

    Although Borrelia theileri, the agent of bovine borreliosis, was described at the turn of the century (in 1903), its relationship with borreliae causing Lyme disease or relapsing fever remains undescribed. We tested the previously published hypothesis that spirochetes infecting Lone Star ticks (Amblyomma americanum) may comprise B. theileri by analyzing the 16S ribosomal DNAs (rDNAs) and flagellin genes of these spirochetes. B. theileri, the Amblyomma agent, and B. miyamotoi formed a natural group or clade distinct from but most closely related to that of the relapsing fever spirochetes. B. theileri and the Amblyomma agent were 97 and 98% similar at the nucleotide level within the analyzed portions of the 16S rDNA and the flagellin gene respectively, suggesting a recent divergence. The agent of bovine borreliosis might be explored as a surrogate antigen for the as-yet-uncultivatable Amblyomma agent in studies designed to explore the etiology of a Lyme disease-like infection associated with Lone Star ticks. PMID:11158095

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

    USGS Publications Warehouse

    Cully, J.F.

    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.

  4. 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

  5. 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.”

  6. The transcription factor paired-related homeobox 1 (Prrx1) inhibits adipogenesis by activating transforming growth factor-β (TGFβ) signaling.

    PubMed

    Du, Baowen; Cawthorn, William P; Su, Alison; Doucette, Casey R; Yao, Yao; Hemati, Nahid; Kampert, Sarah; McCoin, Colin; Broome, David T; Rosen, Clifford J; Yang, Gongshe; MacDougald, Ormond A

    2013-02-01

    Differentiation of adipocytes from preadipocytes contributes to adipose tissue expansion in obesity. Impaired adipogenesis may underlie the development of metabolic diseases such as insulin resistance and type 2 diabetes. Mechanistically, a well defined transcriptional network coordinates adipocyte differentiation. The family of paired-related homeobox transcription factors, which includes Prrx1a, Prrx1b, and Prrx2, is implicated with regulation of mesenchymal cell fate, including myogenesis and skeletogenesis; however, whether these proteins impact adipogenesis remains to be addressed. In this study, we identify Prrx1a and Prrx1b as negative regulators of adipogenesis. We show that Prrx1a and Prrx1b are down-regulated during adipogenesis in vitro and in vivo. Stable knockdown of Prrx1a/b enhances adipogenesis, with increased expression of peroxisome proliferator-activated receptor-γ, CCAAT/enhancer-binding protein-α and FABP4 and increased secretion of the adipokines adiponectin and chemerin. Although stable low-level expression of Prrx1a, Prrx1b, or Prrx2 does not affect 3T3-L1 adipogenesis, transient overexpression of Prrx1a or Prrx1b inhibits peroxisome proliferator-activated receptor-γ activity. Prrx1 knockdown decreases expression of Tgfb2 and Tgfb3, and inhibition of TGFβ signaling during adipogenesis mimics the effects of Prrx1 knockdown. These data support the hypothesis that endogenous Prrx1 restrains adipogenesis by regulating expression of TGFβ ligands and thereby activating TGFβ signaling. Finally, we find that expression of Prrx1a or Prrx1b in adipose tissue increases during obesity and strongly correlates with Tgfb3 expression in BL6 mice. These observations suggest that increased Prrx1 expression may promote TGFβ activity in adipose tissue and thereby contribute to aberrant adipocyte function during obesity.

  7. WITNESSING THE KEY EARLY PHASE OF QUASAR EVOLUTION: AN OBSCURED ACTIVE GALACTIC NUCLEUS PAIR IN THE INTERACTING GALAXY IRAS 20210+1121

    SciTech Connect

    Piconcelli, Enrico; Fiore, Fabrizio; Maiolino, Roberto; Nicastro, Fabrizio; Vignali, Cristian; Bianchi, Stefano; Mathur, Smita; Guainazzi, Matteo; Lanzuisi, Giorgio

    2010-10-20

    We report the discovery of an active galactic nucleus (AGN) pair in the interacting galaxy system IRAS 20210+1121 at z = 0.056. An XMM-Newton observation reveals the presence of an obscured (N {sub H} {approx} 5 x 10{sup 23} cm{sup -2}), Seyfert-like (L {sub 2-10keV} = 4.7 x 10{sup 42} erg s{sup -1}) nucleus in the northern galaxy, which lacks unambiguous optical AGN signatures. Our spectral analysis also provides strong evidence that the IR-luminous southern galaxy hosts a Type 2 quasar embedded in a bright starburst emission. In particular, the X-ray primary continuum from the nucleus appears totally depressed in the XMM-Newton band as expected in the case of a Compton-thick absorber, and only the emission produced by Compton scattering ('reflection') of the continuum from circumnuclear matter is seen. As such, IRAS 20210+1121 seems to provide an excellent opportunity to witness a key, early phase in the quasar evolution predicted by the theoretical models of quasar activation by galaxy collisions.

  8. 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...

  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. 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.

  12. Effects of pyriproxyfen on off-host water-balance and survival of adult lone star ticks (Acari: Ixodidae).

    PubMed

    Strey, O F; Teel, P D; Longnecker, M T

    2001-07-01

    Newly engorged nymphs of the lone star tick, Amblyoma americanum (L.), were continuously exposed to 4 microg/cm2 of pyriproxyfen residues in glass vials. Treatment of engorged nymphs (n = 285) resulted in significant molting inhibition, with more than one-fourth (26.7%, n = 76) of nymphs dying before or during ecdysis. Treatment effects were evident among ticks that molted to the adult stage, with 26.7% (n = 76) of females, and 17.9% (n = 51) of males exhibiting moribund physical characteristics (i.e., lethargy; dull, discolored and desiccated cuticles; lacking full locomotor competency). A few molted adult ticks (10 males, four females) were dead upon inspection. Only 11.2% of pyriproxyfen treated, emergent females (n = 32), and 11.5% of treated emergent males (n = 25) from 285 ticks treated as engorged nymphs, exhibited normal physical appearance and possessed a full range of locomotor activity. Treated adult ticks maintained within a desiccating environmental chamber at 0% RH and 23 degrees C, had significantly accelerated whole-body water loss rates in comparison to untreated males and females maintained under the same environmental conditions. Additionally, treated adult ticks maintained under optimal environmental conditions (23 degrees C and >95% RH) sustained 100% mortality within 32 d following assignment to these conditions (or 79 d posttreatment as engorged nymphs), whereas untreated ticks had 0% mortality for the same duration of time. Results demonstrate that continuous exposure of nymphs to pyriproxyfen disrupted molting, and accelerated both whole-body water loss and subsequent mortality among emergent adult ticks.

  13. 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.

  14. 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…

  15. 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

  16. 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

  17. 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.

  18. Evaluation of effects of pharmaceutical processing on structural disorders of active pharmaceutical ingredient crystals using nanoindentation and high-resolution total scattering pair distribution function analysis.

    PubMed

    Chen, Shuang; Sheikh, Ahmad Y; Ho, Raimundo

    2014-12-01

    Pharmaceutical unit operations such as milling and compaction can often generate disordered regions in crystals of active pharmaceutical ingredients (APIs). This may lead to changes in a number of important pharmaceutical properties including dissolution, stability, hygroscopicity, and so on. It is therefore important for pharmaceutical industry to evaluate the effects of pharmaceutical processing on API structural orders, and to investigate and develop analytical tools that are capable of accurately detecting and assessing subtle process-induced structural disorders in pharmaceutical crystals. In this study, nanoindentation was first used to determine the intrinsic mechanical properties including hardness and Young's modulus of two API crystals, compounds 1 and 2. These crystals of different mechanical properties were then milled and compacted under various conditions. The resulting structural disorders in these crystals were subsequently evaluated using synchrotron-based high-resolution total scattering pair distribution function (TS-PDF) analysis. Furthermore, principal component analysis was applied to the PDF data to assess the relative extents of disorders in the API crystals, which showed a good correlation with the process conditions. The study demonstrates that high-resolution TS-PDF analysis coupled with nanoindentation measurement is a valuable and effective tool for detecting and assessing process-induced subtle structural disorders in API crystals.

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

    PubMed

    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.

  20. 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.

  1. Exploring electron pair behaviour in chemical bonds using the extracule density.

    PubMed

    Proud, Adam J; Mackenzie, Dalton E C K; Pearson, Jason K

    2015-08-21

    We explore explicit electron pair behaviour within the chemical bond (and lone pairs) by calculating the probability distribution for the center-of-mass (extracule) of an electron pair described by single localized orbitals. Using Edmiston-Ruedenberg localized orbitals in a series of 61 chemical systems, we demonstrate the utility of the extracule density as an interpretive tool in chemistry. By accessing localized regions of chemical space we simplify the interpretation of the extracule density and afford a quantum mechanical interpretation of "chemically intuitive" features of electronic structure. Specifically, we describe the localized effects on chemical bonds due to changes in electronegativities of bonded neighbours, bond strain, and non-covalent interactions. We show that the extracule density offers unique insight into electronic structure and allows one to readily quantify the effects of changing the chemical environment.

  2. Catalytic CO2 activation assisted by rhenium hydride/B(C6F5)3 frustrated Lewis pairs--metal hydrides functioning as FLP bases.

    PubMed

    Jiang, Yanfeng; Blacque, Olivier; Fox, Thomas; Berke, Heinz

    2013-05-22

    Reaction of 1 with B(C6F5)3 under 1 bar of CO2 led to the instantaneous formation of the frustrated Lewis pair (FLP)-type species [ReHBr(NO)(PR3)2(η(2)-O═C═O-B(C6F5)3)] (2, R = iPr a, Cy b) possessing two cis-phosphines and O(CO2)-coordinated B(C6F5)3 groups as verified by NMR spectroscopy and supported by DFT calculations. The attachment of B(C6F5)3 in 2a,b establishes cooperative CO2 activation via the Re-H/B(C6F5)3 Lewis pair, with the Re-H bond playing the role of a Lewis base. The Re(I) η(1)-formato dimer [{Re(μ-Br)(NO)(η(1)-OCH═O-B(C6F5)3)(PiPr3)2}2] (3a) was generated from 2a and represents the first example of a stable rhenium complex bearing two cis-aligned, sterically bulky PiPr3 ligands. Reaction of 3a with H2 cleaved the μ-Br bridges, producing the stable and fully characterized formato dihydrogen complex [ReBrH2(NO)(η(1)-OCH═O-B(C6F5)3)(PiPr3)2] (4a) bearing trans-phosphines. Stoichiometric CO2 reduction of 4a with Et3SiH led to heterolytic splitting of H2 along with formation of bis(triethylsilyl)acetal ((Et3SiO)2CH2, 7). Catalytic reduction of CO2 with Et3SiH was also accomplished with the catalysts 1a,b/B(C6F5)3, 3a, and 4a, showing turnover frequencies (TOFs) between 4 and 9 h(-1). The stoichiometric reaction of 4a with the sterically hindered base 2,2,6,6-tetramethylpiperidine (TMP) furnished H2 ligand deprotonation. Hydrogenations of CO2 using 1a,b/B(C6F5)3, 3a, and 4a as catalysts gave in the presence of TMP TOFs of up to 7.5 h(-1), producing [TMPH][formate] (11). The influence of various bases (R2NH, R = iPr, Cy, SiMe3, 2,4,6-tri-tert-butylpyridine, NEt3, PtBu3) was studied in greater detail, pointing to two crucial factors of the CO2 hydrogenations: the steric bulk and the basicity of the base.

  3. Superconductivity: The persistence of pairs

    SciTech Connect

    Edelman, Alex; Littlewood, Peter

    2015-05-20

    Superconductivity stems from a weak attraction between electrons that causes them to form bound pairs and behave much like bosons. These so-called Cooper pairs are phase coherent, which leads to the astonishing properties of zero electrical resistance and magnetic flux expulsion typical of superconducting materials. This coherent state may be qualitatively understood within the Bose–Einstein condensate (BEC) model, which predicts that a gas of interacting bosons will become unstable below a critical temperature and condense into a phase of matter with a macroscopic, coherent population in the lowest energy state, as happens in 4He or cold atomic gases. The successful theory proposed by Bardeen, Cooper and Schrieffer (BCS) predicts that at the superconducting transition temperature Tc, electrons simultaneously form pairs and condense, with no sign of pairing above Tc. Theorists have long surmised that the BCS and BEC models are opposite limits of a single theory and that strong interactions or low density can, in principle, drive the system to a paired state at a temperature Tpair higher than Tc, making the transition to the superconducting state BEC-like (Fig. 1). Yet most superconductors to date are reasonably well described by BCS theory or its extensions, and there has been scant evidence in electronic materials for the existence of pairing independent of the full superconducting state (though an active debate rages over the cuprate superconductors). Writing in Nature, Jeremy Levy and colleagues have now used ingenious nanostructured devices to provide evidence for electron pairing1. Perhaps surprisingly, the material they have studied is a venerable, yet enigmatic, low-temperature superconductor, SrTiO3.

  4. Does employment improve the health of lone mothers? The ALSPAC Study Team. Avon Longitudinal Study of Pregnancy and Childhood.

    PubMed

    Baker, D; North, K

    1999-07-01

    In Britain the government is currently proposing legislation that will encourage welfare recipients to gain employment. A central tenet of this 'welfare to work' policy is that employment will not only reduce the poverty of welfare recipients, but also improve their health. This research assessed the extent to which the movement from 'welfare to work' is likely to benefit the mental and physical health of lone mothers with preschool children. The sample was 719 lone mothers and a comparison group of 8779 women with partners drawn from the Avon Longitudinal Study of Pregnancy and Childhood (ALSPAC). Data collected by self completion questionnaire at 33 months postpartum provided information about average weekly take home family income and the mother's employment status. The health outcomes measured were general well being, both minor and major depression (using the Edinburgh Postnatal Depression Scale), self report of respiratory symptoms (cough/cold, wheeze, influenza) from 18-33 months postpartum and self report of symptoms common in the childbearing years (backache, haemorrhoids) also from 18-33 months postpartum. Lone mothers who were not employed were the poorest group in the sample; 94% of this group (402) had a family income of less than pound sterling 200 per week, compared with 72% (188) of lone mothers who were employed, 25% (905) of partnered women who were not employed and 12% (466) of partnered women who were employed. Lone mothers were significantly more likely than women with partners to report poorer well being (chi2 = 11.7, df = 3, P = 0.01), to have a major depressive disorder (chi2 = 92.6, df = 1, P = 0.0001) and to report wheeze (chi2 = 31.1, df = 1, P = 0.0001), but significantly less likely to report cough/cold (chi2 = 9.9, df = 1, P = 0.0001) or haemorrhoids (chi2 = 16.6, df = 1, P = 0.0001). Lone mothers who were unemployed and living on less than pound sterling 100 per week were significantly more likely to be depressed (chi2 = 3.9, df = 1

  5. 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.

  6. Paired watershed study design

    SciTech Connect

    Clausen, J.C.; Spooner, J.

    1993-09-01

    The purpose of the fact sheet is to describe the paired watershed approach for conducting nonpoint source (NPS) water quality studies. The basic approach requires a minimum of two watersheds - control and treatment - and two periods of study - calibration and treatment. The basis of the paired watershed approach is that there is a quantifiable relationship between paired water quality data for the two watersheds, and that this relationship is valid until a major change is made in one of the watersheds.

  7. 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.

  8. Pairing Beyond BCS

    NASA Astrophysics Data System (ADS)

    Volya, Alexander; Zelevinsky, Vladimir

    2013-01-01

    We concentrate on the specifics of the nuclear pairing problem from the standpoint of the BCS approach. We consider the properties of nuclear pairing which usually are not discussed in standard texts: how good is the BCS theory in nuclear context compared to the exact large-scale diagonalization, whether it can be improved by the particle number conservation, how to mark the phase transition regions in a mesoscopic system like a nucleus, how may effective many-body forces influence the formation and structure of the pairing condensate, what effect the decay instability has on the paired nuclear structure, etc.

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

    PubMed

    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 439nm. 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 14nm. 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. PMID:23867642

  10. 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.

  11. Lone Atrial Fibrillation Is Associated With Impaired Left Ventricular Energetics That Persists Despite Successful Catheter Ablation

    PubMed Central

    Wijesurendra, Rohan S.; Liu, Alexander; Eichhorn, Christian; Ariga, Rina; Levelt, Eylem; Clarke, William T.; Rodgers, Christopher T.; Karamitsos, Theodoros D.; Bashir, Yaver; Ginks, Matthew; Rajappan, Kim; Betts, Tim; Ferreira, Vanessa M.; Neubauer, Stefan

    2016-01-01

    Background: Lone atrial fibrillation (AF) may reflect a subclinical cardiomyopathy that persists after sinus rhythm (SR) restoration, providing a substrate for AF recurrence. To test this hypothesis, we investigated the effect of restoring SR by catheter ablation on left ventricular (LV) function and energetics in patients with AF but no significant comorbidities. Methods: Fifty-three patients with symptomatic paroxysmal or persistent AF and without significant valvular disease, uncontrolled hypertension, coronary artery disease, uncontrolled thyroid disease, systemic inflammatory disease, diabetes mellitus, or obstructive sleep apnea (ie, lone AF) undergoing ablation and 25 matched control subjects in SR were investigated. Magnetic resonance imaging quantified LV ejection fraction (LVEF), peak systolic circumferential strain (PSCS), and left atrial volumes and function, whereas phosphorus-31 magnetic resonance spectroscopy evaluated ventricular energetics (ratio of phosphocreatine to ATP). AF burden was determined before and after ablation by 7-day Holter monitoring; intermittent ECG event monitoring was also undertaken after ablation to investigate for asymptomatic AF recurrence. Results: Before ablation, both LV function and energetics were significantly impaired in patients compared with control subjects (LVEF, 61% [interquartile range (IQR), 52%–65%] versus 71% [IQR, 69%–73%], P<0.001; PSCS, –15% [IQR, –11 to –18%] versus −18% [IQR, –17% to –19%], P=0.002; ratio of phosphocreatine to ATP, 1.81±0.35 versus 2.05±0.29, P=0.004). As expected, patients also had dilated and impaired left atria compared with control subjects (all P<0.001). Early after ablation (1–4 days), LVEF and PSCS improved in patients recovering SR from AF (LVEF, 7.0±10%, P=0.005; PSCS, –3.5±4.3%, P=0.001) but were unchanged in those in SR during both assessments (both P=NS). At 6 to 9 months after ablation, AF burden reduced significantly (from 54% [IQR, 1.5%–100%] to

  12. 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.

  13. Cooper Pairs in Insulators?!

    SciTech Connect

    James Valles

    2008-07-23

    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. 

  14. 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

  15. Cooper Pairs in Insulators?!

    ScienceCinema

    James Valles

    2016-07-12

    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. 

  16. 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.

  17. 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.

  18. 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

  19. 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

  20. 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

  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. Maternal education, lone parenthood, material hardship, maternal smoking, and longstanding respiratory problems in childhood: testing a hierarchical conceptual framework

    PubMed Central

    Spencer, N.

    2005-01-01

    Background: Maternal smoking and low socioeconomic status are known to be associated with each other and with longstanding respiratory problems in childhood but their interrelation has received little attention. In this paper, the interrelations is studied using a conceptual hierarchical framework among children aged 0–11 years in a representative sample of British households with children. Method: With data from the family and children study, this paper tested a conceptual hierarchical framework, in which maternal education acting through lone parenthood would influence material hardship and all three would have effects on maternal smoking increasing the risk of children's longstanding respiratory problems. Results: Among children 0–2, maternal education and material hardship had indirect effects on respiratory problems mediated through more proximal variables. After adjustment for maternal education, the effect of lone parenthood was partially mediated through material hardship and maternal smoking. Adjustment for socioeconomic status variables attentuated but did not eliminate the effect of maternal smoking (odds ratio = 2.04, 95% confidence interval = 1.30, 3.20). Among children 3–11, the effect of maternal education was partially mediated through proximal variables. Lone parenthood and material hardship had indirect effects only. Adjustment for confounding eliminated the effect of maternal smoking (odds ratio = 1.06, 95% confidence interval = 0.88, 1.26). Conclusions: Reducing childhood longstanding respiratory problems will require attention to background socioeconomic status factors in addition to maternal smoking. PMID:16166356

  3. Treatment of lone atrial fibrillation: minimally invasive pulmonary vein isolation, partial cardiac denervation and excision of the left atrial appendage

    PubMed Central

    2014-01-01

    Since 1999, my colleagues and I have diligently pursued a minimally invasive surgical, beating-heart, left atrial isolation technique that is offered to patients with lone atrial fibrillation (AF). We began clinical cases in 2003. In 2005, we reported our initial experience with video-assisted bilateral pulmonary vein (PV) isolation and left atrial appendage (LAA) exclusion for the minimally invasive treatment of AF (Wolf technique). From our experience in over 1,000 cases there have been many lessons learned in the evaluation, selection and minimally invasive surgical treatment of patients with lone AF. In our experience we have had zero mortality and no conversions to sternotomy. Recently we reviewed 157 patients who are now 1 to 9 years out from the Wolf technique. The patients’ ages ranged from 15 to 87 years old. The AF-free rate for paroxysmal AF was 92%, for persistent AF 85%, and for long-standing persistent AF 75%. The follow-up included 7-day continuous monitoring. There were no deaths (personal review). The Wolf technique is a safe and effective treatment for selected patients with lone AF. PMID:24516806

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. Adaptive Pairing Reversible Watermarking.

    PubMed

    Dragoi, Ioan-Catalin; Coltuc, Dinu

    2016-05-01

    This letter revisits the pairwise reversible watermarking scheme of Ou et al., 2013. An adaptive pixel pairing that considers only pixels with similar prediction errors is introduced. This adaptive approach provides an increased number of pixel pairs where both pixels are embedded and decreases the number of shifted pixels. The adaptive pairwise reversible watermarking outperforms the state-of-the-art low embedding bit-rate schemes proposed so far.

  10. Resonantly paired fermionic superfluids

    NASA Astrophysics Data System (ADS)

    Gurarie, V.; Radzihovsky, L.

    2007-01-01

    We present a theory of a degenerate atomic Fermi gas, interacting through a narrow Feshbach resonance, whose position and therefore strength can be tuned experimentally, as demonstrated recently in ultracold trapped atomic gases. The distinguishing feature of the theory is that its accuracy is controlled by a dimensionless parameter proportional to the ratio of the width of the resonance to Fermi energy. The theory is therefore quantitatively accurate for a narrow Feshbach resonance. In the case of a narrow s-wave resonance, our analysis leads to a quantitative description of the crossover between a weakly paired BCS superconductor of overlapping Cooper pairs and a strongly paired molecular Bose-Einstein condensate of diatomic molecules. In the case of pairing via a p-wave resonance, that we show is always narrow for a sufficiently low density, we predict a detuning-temperature phase diagram, that in the course of a BCS-BEC crossover can exhibit a host of thermodynamically distinct phases separated by quantum and classical phase transitions. For an intermediate strength of the dipolar anisotropy, the system exhibits a px + i py paired superfluidity that undergoes a topological phase transition between a weakly coupled gapless ground state at large positive detuning and a strongly paired fully gapped molecular superfluid for a negative detuning. In two dimensions the former state is characterized by a Pfaffian ground state exhibiting topological order and non-Abelian vortex excitations familiar from fractional quantum Hall systems.

  11. 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.

  12. 90 Seconds of Discovery: Frustrated Lewis Pairs

    ScienceCinema

    Kathmann, Shawn; Schenter, Greg; Autrey, Tom

    2016-07-12

    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.

  13. Complexes pairing aliphatic amines with hydroxyl and hydroperoxyl radicals: A computational study

    NASA Astrophysics Data System (ADS)

    Solimannejad, Mohammad; Nielsen, Claus J.; Scheiner, Steve

    2008-12-01

    Quantum calculations are used to analyze the nature and strength of binding of complexes pairing aliphatic amines with the HO and HOO radicals, with particular emphasis on the comparison of HO with HOO. Complexes are stabilized by N⋯HO(O) H-bonds involving the N lone pair. The OOH radical binds more strongly in all cases than does OH, and shows a longer stretch of its OH bond, as well as a greater red shift of this bond's stretching frequency. MP2/6-311++G(3df, 3pd) binding energies vary from 28 kJ/mol for CH 3NH 2⋯HO to a maximum of 56 kJ/mol for (CH 3) 2NH⋯HOO. The reliability of a new hybrid meta exchange-correlation functional, M05-2X, compares favorably with MP2, generally better than B3LYP.

  14. 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

  15. 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

  16. 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.

  17. 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

  18. 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

  19. 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

  20. 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.

  1. 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

  2. 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.

  3. 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

  4. Cultivation of Rickettsia amblyommii in tick cells, prevalence in Florida lone star ticks (Amblyomma americanum)

    PubMed Central

    2014-01-01

    Background Rickettsia amblyommii is a bacterium in the spotted fever group of organisms associated with the lone star tick (LST), Amblyomma americanum. The LST is the most commonly reported tick to parasitize humans in the southeastern US. Within this geographic region, there have been suspected cases of Rocky Mountain spotted fever (RMSF) where the causative agent, R. rickettsii, was not identified in the local tick population. In these areas, patients with clinical signs of RMSF had low or no detectable antibodies to R. rickettsii, resulting in an inability to confirm a diagnosis. Methods R. amblyommii was cultivated from host-seeking LSTs trapped in Central Florida and propagated in ISE6 (Ixodes scapularis) and AAE2 (A. americanum) cells. Quantitative PCR targeting the 17-kD gene of Rickettsia spp. identified the genus of the organism in culture. Variable regions of groEL, gtlA and rompA genes were amplified and sequenced to confirm the species. The prevalence of R. amblyommii in LSTs within the geographic region was determined by qPCR followed by conventional PCR and direct sequencing. Results Analyses of amplified sequences from the cultured organism were 100% homologous to R. amblyommii. The overall prevalence of Rickettsia spp. in the local population of LSTs was 57.1% and rompA sequence analysis identified only R. amblyommii in LSTs. Conclusions A Florida strain of R. amblyommii was successfully cultivated in two tick cell lines. Further evaluation of the new strain and comparisons to the other geographic strains is needed. The prevalence of this SFG organism in the tick population warrants further investigation into the organism’s ability to cause clinical disease in mammalian species. PMID:24927809

  5. 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

  6. Relation of Biomarkers of Inflammation and Oxidative Stress with Hypertension Occurrence in Lone Atrial Fibrillation

    PubMed Central

    Polovina, Marija M.; Ostojic, Miodrag C.; Potpara, Tatjana S.

    2015-01-01

    We compared plasma levels of biomarkers of inflammation (CRP) and oxidation (oxLDL), determined at study inclusion in lone atrial fibrillation (LAF) patients (48.6 ± 11.5 years; 74.0% men) and sinus rhythm controls (49.7 ± 9.3 years; 72.7% men, P > 0.05), and investigated the association of baseline CRP and oxLDL levels with the risk for vascular disease (VD) development (hypertension, cerebrovascular disease, coronary/peripheral artery disease, and pulmonary embolism) during prospective follow-up. Baseline CRP (1.2 [0.7–1.9] mg/L versus 1.1 [0.7–1.6] mg/L) and oxLDL levels (66.3 ± 21.2 U/L versus 57.1 ± 14.6 U/L) were higher in LAF patients (both P < 0.05). Following a median of 36 months, incident VD occurred in 14 (28.0%) LAF patients, all of whom developed arterial hypertension, and in 5 (11.4%) controls (hypertension, n = 4; coronary artery disease, n = 1), P < 0.05. LAF patients developed VD more frequently and at a younger age. Both CRP (HR, 2.54; 95% CI, 1.26–5.12; P = 0.009) and oxLDL (HR, 2.24; 95% CI, 1.14–4.40; P = 0.019) were multivariate predictors of incident hypertension in LAF patients, but not in the controls. Further research should clarify clinical relevance of investigated biomarkers for risk stratification and treatment of LAF patients. PMID:26229238

  7. Relation of Biomarkers of Inflammation and Oxidative Stress with Hypertension Occurrence in Lone Atrial Fibrillation.

    PubMed

    Polovina, Marija M; Ostojic, Miodrag C; Potpara, Tatjana S

    2015-01-01

    We compared plasma levels of biomarkers of inflammation (CRP) and oxidation (oxLDL), determined at study inclusion in lone atrial fibrillation (LAF) patients (48.6 ± 11.5 years; 74.0% men) and sinus rhythm controls (49.7 ± 9.3 years; 72.7% men, P > 0.05), and investigated the association of baseline CRP and oxLDL levels with the risk for vascular disease (VD) development (hypertension, cerebrovascular disease, coronary/peripheral artery disease, and pulmonary embolism) during prospective follow-up. Baseline CRP (1.2 [0.7-1.9] mg/L versus 1.1 [0.7-1.6] mg/L) and oxLDL levels (66.3 ± 21.2 U/L versus 57.1 ± 14.6 U/L) were higher in LAF patients (both P < 0.05). Following a median of 36 months, incident VD occurred in 14 (28.0%) LAF patients, all of whom developed arterial hypertension, and in 5 (11.4%) controls (hypertension, n = 4; coronary artery disease, n = 1), P < 0.05. LAF patients developed VD more frequently and at a younger age. Both CRP (HR, 2.54; 95% CI, 1.26-5.12; P = 0.009) and oxLDL (HR, 2.24; 95% CI, 1.14-4.40; P = 0.019) were multivariate predictors of incident hypertension in LAF patients, but not in the controls. Further research should clarify clinical relevance of investigated biomarkers for risk stratification and treatment of LAF patients. PMID:26229238

  8. Formulations of deet, picaridin, and IR3535 applied to skin repel nymphs of the lone star tick (Acari: Ixodidae) for 12 hours.

    PubMed

    Carroll, J F; Benante, J P; Kramer, M; Lohmeyer, K H; Lawrence, K

    2010-07-01

    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, Amblyomma americanum (L.), were determined at 2-h intervals over 12 h using human subjects. A repellent formulation was applied in a 5-cm-wide band encircling a volunteer's lower leg. For each challenge, 70 host-seeking nymphs were released on each volunteer's ankle, and tick locations were recorded 10 min after the ticks were released. Ticks that crawled entirely across the repellent band were considered not repelled. For all formulations and time points, significantly fewer (all P < 0.0001) A. americanum nymphs crossed the treatment bands on the volunteers' ankles than crossed the corresponding area on the untreated control legs. Formulations containing > or = 20% active ingredient were highly effective, with <10% of the ticks crossing through the treatment bands for any challenge during the 12 h. At least 40% of ticks exposed to any formulation for any challenge fell or crawled off the volunteers. There was no difference in effectiveness between the 20% spray and 20% lotion formulations of picaridin. The 10% IR3535 lotion was significantly less effective than the formulations with higher concentrations of repellent. In the formulations tested, deet, picaridin, and IR3535 provided lasting protection against A. americanum.

  9. 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

  10. 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.

  11. Time-dependent activation of parieto-frontal networks for directing attention to tactile space. A study with paired transcranial magnetic stimulation pulses in right-brain-damaged patients with extinction.

    PubMed

    Oliveri, M; Rossini, P M; Filippi, M M; Traversa, R; Cicinelli, P; Palmieri, M G; Pasqualetti, P; Caltagirone, C

    2000-09-01

    Tactile extinction has been interpreted as an attentional disorder, closely related to hemineglect, due to hyperactivation of the unaffected hemisphere, resulting in an ipsilesional attentional bias. Paired transcranial magnetic stimulation (TMS) techniques, with a subthreshold conditioning stimulus (CS) followed at various interstimulus intervals (ISIs) by a suprathreshold test stimulus (TS), are useful for investigating intracortical inhibition and facilitation in the human motor cortex. In the present work, we investigated the effects of paired TMS over the posterior parietal and frontal cortex of the unaffected hemisphere in a group of eight right-brain-damaged patients with tactile extinction who were carrying out a bimanual tactile discrimination task. The aim of the study was to verify if paired TMS could induce selective inhibition or facilitation of the unaffected hemisphere depending on the ISI, resulting, respectively, in an improvement and a worsening of contralesional extinction. In addition, we wanted to investigate if the effects of parietal and frontal TMS on contralesional extinction appeared at different intervals, suggesting time-dependent activation in the cortical network for the processing of tactile spatial information. Paired TMS stimuli with a CS and a TS, separated by two ISIs of 1 and 10 ms, were applied over the left parietal and frontal cortex after various intervals from the presentation of bimanual cutaneous stimuli. Single-test parietal TMS stimuli improved the patients' performance, whereas paired TMS had distinct effects depending on the ISI: at ISI = 1 ms the improvement in extinction was greater than that induced by single-pulse TMS; at ISI = 10 ms we observed worsening of extinction, with complete reversal of the effects of single-pulse TMS. Compared with TMS delivered over the frontal cortex, parietal TMS improved the extinction rate in a time window that began earlier. These findings shed further light on the mechanism of

  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. 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

  14. 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

  15. 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

  16. 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

  17. 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

  18. 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.

  19. Duetting--a mechanism to strengthen pair bonds in a dispersed pair-living primate (Lepilemur edwardsi)?

    PubMed

    Méndez-Cárdenas, Maria G; Zimmermann, Elke

    2009-08-01

    Duetting is defined as an interactively organized pair display in which one pair partner coordinates its vocalizations in time with those of the other. It is widespread among tropical birds and cohesive pair-living primates, in which it is suggested to strengthen pair bonds. We know very little about the presence and function of duetting in dispersed pair-living mammals. We studied duetting behavior in a solitary foraging, but pair-sleeping, primate, the Milne Edwards' sportive lemur, in a dry deciduous forest of north-western Madagascar. We radio-tracked six pairs throughout 1 year and recorded their sleeping sites and associations, home-range use, and vocal and behavioral interactions. Three different periods were covered (mating, pregnancy, and offspring care). Sleeping partners form long-term pair bonds, indicated by an almost exclusive pair-specific usage of sleeping sites and home-ranges across periods. We explored three functional hypothesis of duetting: mate reunion, pair reunion, and joint-territorial defense. Pairs regularly engaged in duet calling. Duetting increased significantly during the offspring care period. Duetting occurred significantly more often at feeding sites than at sleeping sites. Pair partners synchronized behavioral activities after duetting. The activity most often synchronized was locomotion. Pair partners played an equal role in duetting with no difference between sexes in starting or terminating duetting. Altogether, our results provide support for the hypothesis that in dispersed pair-living primates, duetting evolved as a mechanism to coordinate activities between pair partners dispersed in space, to strengthen pair bonds, and, perhaps, to limit infanticide and nutritional stress in lactating females.

  20. 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…

  1. Expression of bovine genes associated with local and systemic immune response to infestation with the Lone Star tick, Amblyomma americanum.

    PubMed

    Brannan, Jaime L; Riggs, Penny K; Olafson, Pia U; Ivanov, Ivan; Holman, Patricia J

    2014-10-01

    The Lone Star tick, Amblyomma americanum Linnaeus 1758 (Acari; Ixodidae), causes considerable production losses to the southern U.S. cattle industry due to reduced weight, infertility, secondary infections at bite wound sites, damaged hides, and potentially death, as these ticks tend to infest livestock in large numbers. Increasing environmental concerns, along with the potential for chemical residue in food products, have led to more emphasis on alternative tick control strategies, such as selective breeding practices and anti-tick vaccines. To enable progress toward these goals, a better understanding of bovine host immune mechanisms elicited by ticks is needed. In this study, 7 calves were phenotyped as susceptible, moderately resistant, or highly resistant to adult A. americanum ticks. Tick bite-site biopsies and blood leukocytes were collected at multiple time points throughout 3 successive tick infestations. Gene expression at tick bite-site biopsies was assessed by microarray analysis over 3 time points for each phenotype group. Quantitative reverse transcriptase-PCR expression analysis evaluated 11 candidate genes in tick bite-site biopsies, and 6 in blood leukocytes. Regression curve estimates calculated from the expression values generated by qRT-PCR in tick bite-sites identified correlations between several candidate genes. Increased expression of IGHG1, IL6, IL1α, and IL1RN in bovine tick bite-site biopsies suggests that Th2 differentiation may be important for the local bovine response to A. americanum ticks. Strong correlations in expression for IL1α and IL1β, for IL1α and IL1RN, and for IL1α and TLR4 were found in biopsies from the tick-resistant phenotypes. The up-regulation of IL12 and IL23 in blood leukocytes from Lone Star tick-infested calves of all phenotypes suggests a possible systemic recruitment of memory T cells. This study provides novel insight concerning the bovine immune response to Lone Star ticks and a basis for future

  2. 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

  3. 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...

  4. 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...

  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. 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

  7. Multiprocessor switch with selective pairing

    DOEpatents

    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

  8. Prospective very young asteroid pairs

    NASA Astrophysics Data System (ADS)

    Galád, A.; Vokrouhlický, D.; Zizka, J.

    2014-07-01

    Several tens of asteroid pairs can be discerned from the background main-belt asteroids. The majority of them are thought to have formed within only the last few 10^6 yr. The youngest recognized pairs have formed more than ≈ 10 kyr ago. As some details of pair formation are still not understood well, the study of young pairs is of great importance. It is mainly because the conditions at the time of the pair formation could be deduced much more reliably for young pairs. For example, space weathering on the surfaces of the components, or changes in their rotational properties (in spin rates, tumbling, coordinates of rotational pole) could be negligible since the formation of young pairs. Also, possible strong perturbations by main-belt bodies on pair formation can be reliably studied only for extremely young pairs. Some pairs can quickly blend in with the background asteroids, so even the frequency of asteroid pair formation could be determined more reliably based on young pairs (though only after a statistically significant sample is at disposal). In our regular search for young pairs in the growing asteroid database, only multiopposition asteroids with very similar orbital and proper elements are investigated. Every pair component is represented by a number of clones within orbital uncertainties and drifting in semimajor axis due to the Yarkovsky effect. We found that, if the previously unrecognized pairs (87887) 2000 SS_{286} - 2002 AT_{49} and (355258) 2007 LY_{4} - 2013AF_{40} formed at the recent very close approach of their components, they could become the youngest known pairs. In both cases, the relative encounter velocities of the components were only ˜ 0.1 m s^{-1}. However, the minimum distances between some clones are too large and a few clones of the latter pair did not encounter recently (within ≈ 10 kyr). The age of some prospective young pairs cannot be determined reliably without improved orbital properties (e.g., the second component of a pair

  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. 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.

  11. Prostaglandin E(2)-stimulated secretion of protein in the salivary glands of the lone star tick via a phosphoinositide signaling pathway.

    PubMed

    Yuan, J; Bowman, A S; Aljamali, M; Payne, M R; Tucker, J S; Dillwith, J W; Essenberg, R C; Sauer, J R

    2000-11-01

    Previous studies identified a prostaglandin E(2) (PGE(2)) receptor in the salivary glands of partially fed female lone star ticks, Amblyomma americanum (L.). In the present studies, protein secretion from dispersed salivary gland acini was shown to be specific for PGE(2), as compared with PGF(2alpha) or the thromboxane analog U-46619, in accordance with their respective binding affinities for the PGE(2) receptor. Furthermore, the selective PGE(2) EP1 receptor agonist, 17-phenyl trinor PGE(2), was as effective as PGE(2) in stimulating secretion of anticoagulant protein. Calcium ionophore A-23187 (1 to 100 microM) stimulated secretion of anticoagulant protein in a dose-dependent manner but the voltage-gated Ca(2+)-channel blocker verapamil (1 to 1000 microM) and the receptor-mediated Ca(2+)-entry antagonist, SK&F 96365 (1 and 10 microM), and 5mM ethylene glycol bis(beta-aminoethyl ether)-N,NN', N'-tetraacetic acid (EGTA) had no appreciable effect on inhibiting PGE(2)-stimulated secretion of anticoagulant protein. PGE(2) (0.1 microM) and the non-hydrolyzable analog of guanosine triphosphate (GTP), GTPgammaS (10 microM), directly activated phospholipase C (PLC) in a membrane-enriched fraction of the salivary glands after PLC was first incubated with the PGE(2) EP1 receptor antagonist AH-6809, which presumably antagonized endogenous PGE(2) (0.3 microM) in the broken-cell-membrane-enriched fraction. TMB-8, an antagonist of intracellular inositol trisphosphate (IP(3)) receptors, inhibited PGE(2)-stimulated secretion. The results support the hypothesis that PGE(2) stimulates secretion of tick salivary gland protein via a phosphoinositide signaling pathway and mobilization of intracellular Ca(2+).

  12. 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

  13. 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

  14. 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.

  15. 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

  16. 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

  17. 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.

  18. 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

  19. 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.

  20. A germanium isocyanide complex featuring (n → π*) back-bonding and its conversion to a hydride/cyanide product via C-H bond activation under mild conditions.

    PubMed

    Brown, Zachary D; Vasko, Petra; Fettinger, James C; Tuononen, Heikki M; Power, Philip P

    2012-03-01

    Reaction of the diarylgermylene Ge(Ar(Me(6)))(2) [Ar(Me(6)) = C(6)H(3)-2,6-(C(6)H(2)-2,4,6-(CH(3))(3))(2)] with tert-butyl isocyanide gave the Lewis adduct species (Ar(Me(6)))(2)GeCNBu(t), in which the isocyanide ligand displays a decreased C-N stretching frequency consistent with an n → π* back-bonding interaction. Density functional theory confirmed that the HOMO is a Ge-C bonding combination between the lone pair of electrons on the germanium atom and the C-N π* orbital of the isocyanide ligand. The complex undergoes facile C-H bond activation to produce a new diarylgermanium hydride/cyanide species and isobutene via heterolytic cleavage of the N-Bu(t) bond.

  1. An Evolved Orthogonal Enzyme/Cofactor Pair.

    PubMed

    Reynolds, Evan W; McHenry, Matthew W; Cannac, Fabien; Gober, Joshua G; Snow, Christopher D; Brustad, Eric M

    2016-09-28

    We introduce a strategy that expands the functionality of hemoproteins through orthogonal enzyme/heme pairs. By exploiting the ability of a natural heme transport protein, ChuA, to promiscuously import heme derivatives, we have evolved a cytochrome P450 (P450BM3) that selectively incorporates a nonproteinogenic cofactor, iron deuteroporphyrin IX (Fe-DPIX), even in the presence of endogenous heme. Crystal structures show that selectivity gains are due to mutations that introduce steric clash with the heme vinyl groups while providing a complementary binding surface for the smaller Fe-DPIX cofactor. Furthermore, the evolved orthogonal enzyme/cofactor pair is active in non-natural carbenoid-mediated olefin cyclopropanation. This methodology for the generation of orthogonal enzyme/cofactor pairs promises to expand cofactor diversity in artificial metalloenzymes.

  2. 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

  3. 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.

  4. Correlating size and composition-dependent effects with magnetic, Mössbauer, and pair distribution function measurements in a family of catalytically active ferrite nanoparticles

    DOE PAGES

    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

  5. 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.

  6. Non-random pairing of CD46 isoforms with skewing towards BC2 and C2 in activated and memory/effector T cells

    PubMed Central

    Hansen, Aida S.; Bundgaard, Bettina B.; Møller, Bjarne K.; Höllsberg, Per

    2016-01-01

    CD46 is a glycoprotein with important functions in innate and adaptive immune responses. Functionally different isoforms are generated by alternative splicing at exons 7–9 (BC and C isoforms) and exon 13 (CYT-1 and CYT-2 isoforms) giving rise to BC1, BC2, C1 and C2. We developed a novel real-time PCR assay that allows quantitative comparisons between these isoforms. Their relative frequency in CD4+ T cells from 100 donors revealed a distribution with high interpersonally variability. Importantly, the distribution between the isoforms was not random and although splicing favoured inclusion of exon 8 (BC isoforms), exclusion of exon 8 (C isoforms) was significantly linked to exclusion of exon 13 (CYT-2 isoforms). Despite inter-individual differences, CD4+ and CD8+ T cells, B cells, NK cells and monocytes expressed similar isoform profiles intra-individually. However, memory/effector CD4+ T cells had a significantly higher frequency of CYT-2 when compared with naïve CD4+ T cells. Likewise, in vitro activation of naïve and total CD4+ T cells increased the expression of CYT-2. This indicates that although splicing factors determine a certain expression profile in an individual, the profile can be modulated by external stimuli. This suggests a mechanism by which alterations in CD46 isoforms may temporarily regulate the immune response. PMID:27739531

  7. 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

  8. 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.

  9. 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…

  10. Guanidinium Pairing Facilitates Membrane Translocation.

    PubMed

    Allolio, Christoph; Baxova, Katarina; Vazdar, Mario; Jungwirth, Pavel

    2016-01-14

    Ab initio free energy calculations of guanidinium pairing in aqueous solution confirm the counterintuitive conjecture that the like-charge ion pair is thermodynamically stable. Transferring the guanidinium pair to the inside of a POPC lipid bilayer, like-charge ion pairing is found to occur also inside the membrane defect. It is found to contribute to the nonadditivity of ion transfer, thereby facilitating the presence of ions inside the bilayer. The effect is quantified by free energy decomposition and comparison with ammonium ions, which do not form a stable pair. The presence of two charges inside the center of the bilayer leads to the formation of a pore. Potential consequences for cell penetrating peptides and ion conduction are drawn.

  11. 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

  12. 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.

  13. 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.

  14. 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.

  15. 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

  16. 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.

  17. Modeling the Present and Future Geographic Distribution of the Lone Star Tick, Amblyomma americanum (Ixodida: Ixodidae), in the Continental United States

    PubMed Central

    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. PMID:26217042

  18. Management of lone star ticks (Acari: Ixodidae) in recreational areas with acaricide applications, vegetative management, and exclusion of white-tailed deer.

    PubMed

    Bloemer, S R; Mount, G A; Morris, T A; Zimmerman, R H; Barnard, D R; Snoddy, E L

    1990-07-01

    A project on management of lone star ticks, Amblyomma americanum (L.), at Land Between the Lakes, a Tennessee Valley Authority recreational area in Kentucky-Tennessee, during 1984-1988, demonstrated the effectiveness and economics of three control technologies. Acaricide applications (chlorpyrifos at 0.28 kg [AI]/ha), vegetative management (mowing and removal of 40% overstory and 90-100% of midstory, understory, and leaf litter), and host management (white-tailed deer exclusion from a 71-ha campground with a single-line fence) provided 75, 70, and 64% mean controls of all life stages of the lone star tick, respectively. Combinations of acaricide applications + vegetative management, acaricide applications + host management, and acaricide applications + vegetative management + host management produced 94, 89, and 96% mean control of all life stages, respectively. The costs of acaricide applications (two per year), vegetative management (two mowings per year), and white-tailed deer exclusion (single-line fence) were $45, $150, and $30/ha/yr, respectively. Results of this project are used to design management strategies that could be considered for use against lone star ticks in recreational areas.

  19. Examining the functionality of the DeLone and McLean information system success model as a framework for synthesis in nursing information and communication technology research.

    PubMed

    Booth, Richard G

    2012-06-01

    In this review, studies examining information and communication technology used by nurses in clinical practice were examined. Overall, a total of 39 studies were assessed spanning a time period from 1995 to 2008. The impacts of the various health information and communication technology evaluated by individual studies were synthesized using the DeLone and McLean's six-dimensional framework for evaluating information systems success (ie, System Quality, Information Quality, Service Quality, Use, User Satisfaction, and Net Benefits). Overall, the majority of researchers reported results related to the overall Net Benefits (positive, negative, and indifferent) of the health information and communication technology used by nurses. Attitudes and user satisfaction with technology were also commonly measured attributes. The current iteration of DeLone and McLean model is effective at synthesizing basic elements of health information and communication technology use by nurses. Regardless, the current model lacks the sociotechnical sensitivity to capture deeper nurse-technology relationalities. Limitations and recommendations are provided for researchers considering using the DeLone and McLean model for evaluating health information and communication technology used by nurses. PMID:22411411

  20. 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

  1. 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.

  2. Dietary modification of host blood lipids affect reproduction in the lone star tick, Amblyomma americanum(L.).

    PubMed

    Madden, R D; Sauer, J R; Dillwith, J W; Bowman, A S

    1996-04-01

    The feeding and reproductive performance of female lone star ticks (Amblyomma americanum (L.)) infesting guinea pigs on diets containing 15% fish oil (FO) or safflower oil (SO) were investigated. Replete ticks fed on FO-fed guinea pigs weighed approximately 30% less than those on the SO-fed guinea pigs. The lower engorged weight resulted in a similar decrease in the mass and number of eggs laid and number of larvae hatching. No effect of host dietary treatment was observed upon the reproductive efficiency index, egg weight, or hatchability. Guinea pig blood on the FO-diet contained high levels of eicosapentaenoic acid, which has previously been shown to inhibit the accumulation of arachidonic acid in the tick salivary gland. It is suggested that the ticks on the FO-fed guinea pigs have impaired production and secretion of dienoic prostaglandins in the saliva resulting in poorer feeding performance, possibly by altering the amount of host blood present in the feeding lesion. PMID:8604084

  3. 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.

  4. 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.

  5. The first row anomaly and recoupled pair bonding in the halides of the late p-block elements.

    PubMed

    Dunning, Thom H; Woon, David E; Leiding, Jeff; Chen, Lina

    2013-02-19

    The dramatic differences between the properties of molecules formed from the late p-block elements of the first row of the periodic table (N-F) and those of the corresponding elements in subsequent rows is well recognized as the first row anomaly. Certain properties of the atoms, such as the relative energies and spatial extents of the ns and np orbitals, can explain some of these differences, but not others. In this Account, we summarize the results of our recent computational studies of the halides of the late p-block elements. Our studies point to a single underlying cause for many of these differences: the ability of the late p-block elements in the second and subsequent rows of the periodic table to form recoupled pair bonds and recoupled pair bond dyads with very electronegative ligands. Recoupled pair bonds form when an electron in a singly occupied ligand orbital recouples the pair of electrons in a doubly occupied lone pair orbital on the central atom, leading to a central atom-ligand bond. Recoupled pair bond dyads occur when a second ligand forms a bond with the orbital left over from the initial recoupled pair bond. Recoupled pair bonds and recoupled pair bond dyads enable the late p-block elements to form remarkably stable hypervalent compounds such as PF(5) and SF(6) and lead to unexpected excited states in smaller halides of the late p-block elements such as SF and SF(2). Recoupled pair bonding also causes the F(n-1)X-F bond energies to oscillate dramatically once the normal valences of the central atoms have been satisfied. In addition, recoupled pair bonding provides a lower-energy pathway for inversion in heavily fluorinated compounds (PF(3) and PF(2)H, but not PH(2)F and PH(3)) and leads to unusual intermediates and products in reactions involving halogens and late p-block element compounds, such as (CH(3))(2)S + F(2). Although this Account focuses on the halides of the second row, late p-block elements, recoupled pair bonds and recoupled pair

  6. The First Row Anomaly and Recoupled Pair Bonding in the Halides of the Late p-Block Elements

    PubMed Central

    2012-01-01

    The dramatic differences between the properties of molecules formed from the late p-block elements of the first row of the periodic table (N–F) and those of the corresponding elements in subsequent rows is well recognized as the first row anomaly. Certain properties of the atoms, such as the relative energies and spatial extents of the ns and np orbitals, can explain some of these differences, but not others. In this Account, we summarize the results of our recent computational studies of the halides of the late p-block elements. Our studies point to a single underlying cause for many of these differences: the ability of the late p-block elements in the second and subsequent rows of the periodic table to form recoupled pair bonds and recoupled pair bond dyads with very electronegative ligands. Recoupled pair bonds form when an electron in a singly occupied ligand orbital recouples the pair of electrons in a doubly occupied lone pair orbital on the central atom, leading to a central atom-ligand bond. Recoupled pair bond dyads occur when a second ligand forms a bond with the orbital left over from the initial recoupled pair bond. Recoupled pair bonds and recoupled pair bond dyads enable the late p-block elements to form remarkably stable hypervalent compounds such as PF5 and SF6 and lead to unexpected excited states in smaller halides of the late p-block elements such as SF and SF2. Recoupled pair bonding also causes the Fn–1X–F bond energies to oscillate dramatically once the normal valences of the central atoms have been satisfied. In addition, recoupled pair bonding provides a lower-energy pathway for inversion in heavily fluorinated compounds (PF3 and PF2H, but not PH2F and PH3) and leads to unusual intermediates and products in reactions involving halogens and late p-block element compounds, such as (CH3)2S + F2. Although this Account focuses on the halides of the second row, late p-block elements, recoupled pair bonds and recoupled pair bond dyads are

  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. Pair Excitations in Fermi Fluids

    NASA Astrophysics Data System (ADS)

    Böhm, Helga M.; Krotscheck, Eckhard; Schörkhuber, Karl; Springer, Josef

    2006-09-01

    We present a theory of multi-pair excitations in strongly interacting Fermi systems. Based on an equations-of-motion approach for time-dependent pair correlations it leads to a qualitatively new structure of the density-density response function. Our theory reduces to both, i) the "correlated" random-phase approximation (RPA) for fermions if the two-pair excitations are ignored, and ii) the correlated Brillouin-Wigner perturbation theory for bosons in the appropriate limit. The theory preserves the two first energy-weighted sum rules. A familiar problem of the standard RPA is that its zero-sound mode is energetically much higher than found in experiments. The popular cure of introducing an average effective mass in the Lindhard function violates sum rules and describes the physics incorrectly. We demonstrate that the inclusion of correlated pair excitations gives the correct dispersion. As in 4He, a modification of the effective mass is unnecessary also in 3He.

  9. 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.

  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.

  11. 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

  12. 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.

  13. Control of lone star ticks (Acari: Ixodidae) on Spanish goats and white-tailed deer with orally administered ivermectin.

    PubMed

    Miller, J A; Garris, G I; George, J E; Oehler, D D

    1989-12-01

    Ivermectin administered orally to Spanish goats, Capra hircus (L.), or to white-tailed deer, Odocoileus virginianus (Zimmerman), was highly effective against lone star ticks, Amblyomma americanum (L.). For Spanish goats, daily oral doses of 20 micrograms/kg resulted in greater than or equal to 2 ppb ivermectin in the blood. This level was sufficient to cause greater than 95% reduction of estimated larvae from feeding ticks. A bioassay with horn flies, Haematobia irritans (L.), was developed to estimate oral intake of ivermectin. Probit analysis of dose-mortality data indicated that a 50% reduction in adult horn fly emergence can be expected when the manure from goats treated orally with ivermectin at 10, 20, 35, and 50 micrograms/kg/d was mixed with untreated cow manure at a rate of 0.345, 0.110, 0.100, and 0.092%, respectively. In studies with white-tailed deer, daily oral doses of 35 and 50 micrograms/kg/d provided 100% control of adult and about 90% control of nymphs that were placed on treated fawns. A single oral dose of 50 micrograms/kg gave greater than 90% control of adult and nymphal ticks attached to treated fawns at the time of drug administration and 70% control of ticks placed on treated deer three days thereafter. When ticks were placed on fawns treated with a single dose of ivermectin (50 micrograms/kg) the engorgement period was longer, ticks were lighter in weight, and females laid fewer eggs than ticks detaching from control fawns. A single oral dose of ivermectin at 20 micrograms/kg prevented about 60% of the adult and nymphal ticks attached at the time of drug administration from engorging, but did not affect other ticks placed on the animals after treatment. PMID:2607030

  14. Control of lone star ticks (Acari: Ixodidae) on Spanish goats and white-tailed deer with orally administered ivermectin.

    PubMed

    Miller, J A; Garris, G I; George, J E; Oehler, D D

    1989-12-01

    Ivermectin administered orally to Spanish goats, Capra hircus (L.), or to white-tailed deer, Odocoileus virginianus (Zimmerman), was highly effective against lone star ticks, Amblyomma americanum (L.). For Spanish goats, daily oral doses of 20 micrograms/kg resulted in greater than or equal to 2 ppb ivermectin in the blood. This level was sufficient to cause greater than 95% reduction of estimated larvae from feeding ticks. A bioassay with horn flies, Haematobia irritans (L.), was developed to estimate oral intake of ivermectin. Probit analysis of dose-mortality data indicated that a 50% reduction in adult horn fly emergence can be expected when the manure from goats treated orally with ivermectin at 10, 20, 35, and 50 micrograms/kg/d was mixed with untreated cow manure at a rate of 0.345, 0.110, 0.100, and 0.092%, respectively. In studies with white-tailed deer, daily oral doses of 35 and 50 micrograms/kg/d provided 100% control of adult and about 90% control of nymphs that were placed on treated fawns. A single oral dose of 50 micrograms/kg gave greater than 90% control of adult and nymphal ticks attached to treated fawns at the time of drug administration and 70% control of ticks placed on treated deer three days thereafter. When ticks were placed on fawns treated with a single dose of ivermectin (50 micrograms/kg) the engorgement period was longer, ticks were lighter in weight, and females laid fewer eggs than ticks detaching from control fawns. A single oral dose of ivermectin at 20 micrograms/kg prevented about 60% of the adult and nymphal ticks attached at the time of drug administration from engorging, but did not affect other ticks placed on the animals after treatment.

  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. PAIR (Planning and Analysis of Inspection Resources)

    SciTech Connect

    Teichmann, T.; Santaniello, A.; Fishbone, L.G.

    1994-03-01

    The safeguards inspection effort of the International Atomic Energy Agency consists of the efforts for the Physical Inventory Verifications to close the annual material balance, Interim Inventory Verifications, conducted mainly to satisfy the Timeliness Criteria, Flow Verifications to verify the transfer of material, and Containment and Surveillance activities, which help preserve continuity of knowledge concerning the material. Estimating the requiring overall future inspection effort under a variety of conditions is an important part of Agency planning. As exemplified by the sample results provides a straightforward means to analyze `What if` situations in safeguards implementation. It thereby permits managers and analysts to study future scenarios and their effect on human resources. It is planned to introduce into PAIR a direct capability for studying costs associated with these hypothetical changes in safeguards implementation. In this way PAIR could more easily assist the Safeguards Department in its current program of investigating new safeguards approaches.

  17. 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.

  18. 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.

  19. 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

  20. Missing energies at pair creation

    NASA Technical Reports Server (NTRS)

    El-Ela, A. A.; Hassan, S.; Bagge, E. R.

    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.

  1. Cooper pair transfer in nuclei

    NASA Astrophysics Data System (ADS)

    Potel, G.; Idini, A.; Barranco, F.; Vigezzi, E.; Broglia, R. A.

    2013-10-01

    The second-order distorted wave Born approximation implementation of two-particle transfer direct reactions which includes simultaneous and successive transfer, properly corrected by non-orthogonality effects, is tested with the help of controlled nuclear structure and reaction inputs against data spanning the whole mass table, and showed to constitute a quantitative probe of nuclear pairing correlations.

  2. 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…

  3. 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.

  4. 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

  5. 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

  6. Pair production in inhomogeneous fields

    SciTech Connect

    Gies, Holger; Klingmueller, Klaus

    2005-09-15

    We employ the recently developed worldline numerics, which combines string-inspired field theory methods with Monte Carlo techniques, to develop an algorithm for the computation of pair-production rates in scalar QED for inhomogeneous background fields. We test the algorithm with the classic Sauter potential, for which we compute the local production rate for the first time. Furthermore, we study the production rate for a superposition of a constant E field and a spatially oscillating field for various oscillation frequencies. Our results reveal that the approximation by a local derivative expansion already fails for frequencies small compared to the electron-mass scale, whereas for strongly oscillating fields a derivative expansion for the averaged field represents an acceptable approximation. The worldline picture makes the nonlocal nature of pair production transparent and facilitates a profound understanding of this important quantum phenomenon.

  7. Flux Quantization Without Cooper Pairs

    NASA Astrophysics Data System (ADS)

    Kadin, Alan

    2013-03-01

    It is universally accepted that the superconducting flux quantum h/2e requires the existence of a phase-coherent macroscopic wave function of Cooper pairs, each with charge 2e. On the contrary, we assert that flux quantization can be better understood in terms of single-electron quantum states, localized on the scale of the coherence length and organized into a real-space phase-antiphase structure. This packing configuration is consistent with the Pauli exclusion principle for single-electron states, maintains long-range phase coherence, and is compatible with much of the BCS formalism. This also accounts for h/2e in the Josephson effect, without Cooper pairs. Experimental evidence for this alternative picture may be found in deviations from h/2e in loops and devices much smaller than the coherence length. A similar phase-antiphase structure may also account for superfluids, without the need for boson condensation.

  8. One-dimensional Cooper pairing

    NASA Astrophysics Data System (ADS)

    Mendoza, R.; Fortes, M.; de Llano, M.; Solís, M. A.

    2011-09-01

    We study electron pairing in a one-dimensional (1D) fermion gas at zero temperature under zero- and finite-range, attractive, two-body interactions. The binding energy of Cooper pairs (CPs) with zero total or center-of-mass momentum (CMM) increases with attraction strength and decreases with interaction range for fixed strength. The excitation energy of 1D CPs with nonzero CMM display novel, unique properties. It satisfies a dispersion relation with two branches: a phonon-like linear excitation for small CP CMM; this is followed by roton-like quadratic excitation minimum for CMM greater than twice the Fermi wavenumber, but only above a minimum threshold attraction strength. The expected quadratic-in-CMM dispersion in vacuo when the Fermi wavenumber is set to zero is recovered for any coupling. This paper completes a three-part exploration initiated in 2D and continued in 3D.

  9. 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…

  10. 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…

  11. Allan Sillitoe's Lonely Hero.

    ERIC Educational Resources Information Center

    Obst, Jennifer

    1969-01-01

    The hero of Allan Sillitoe's novel, "The Loneliness of the Long-Distance Runner," differs in many ways from the typical modern existential hero. Unlike the anti-hero, Smith is not searching for values, for he understands what life is and accepts it. He follows a code of honesty and hates "phonies." He is aware of class distinctions and sees the…

  12. The lonely earth.

    PubMed

    Pimm, S

    1996-01-01

    Biologists have spent time calculating extinction rates and devising conservation programs to determine and trace the rate of wildlife disappearance. Several researchers have resorted to bone hunting in estimating and documenting waves of extinction. However, this method is not feasible in estimating the disappearance of all species. Other researchers have calculated the rate of species extinction based on their findings. Although extinction is a natural part of life, the question remains as to whether the rate is unusual. One study revealed that species tend to last between 1 and 10 million years before they disappear; however, the rate of extinction of these animals and plants is now becoming an annual event. Furthermore, naturalists have documented kilodeath ¿black spots¿ throughout the world, ranging from deserts to rainforests, rivers, and freshwater lakes. Overall, the implication of the disappearance of these species should influence governments in developing and implementing policies that would ensure the protection of wildlife. PMID:12322539

  13. The Within-day Relation Between Lonely Episodes and Subsequent Clinical Pain in Individuals with Fibromyalgia: Mediating Role of Pain Cognitions

    PubMed Central

    Wolf, Laurie D.; Davis, Mary C.; Yeung, Ellen W.

    2015-01-01

    Objective This daily diary study of individuals with fibromyalgia (FM) examined whether morning increases in loneliness relate to worsened evening bodily pain through afternoon negative pain cognitions. Methods 220 participants with FM completed electronic diaries 4 times a day for 21 days to assess loneliness, negative pain cognitions, bodily pain, and social enjoyment. Multilevel structural equation modeling was used to examine within-person relations of morning increases in loneliness, afternoon negative pain cognitions, and evening pain, controlling for morning pain. Results On mornings when individuals experienced higher than their usual levels of loneliness, they experienced higher levels of afternoon maladaptive pain cognitions, which in turn predicted increases in evening pain above the level of morning pain. Afternoon maladaptive pain cognitions fully mediated the relations between morning loneliness and evening pain. Conclusions Lonely episodes are associated with subsequent increases in negative patterns of thinking about pain, which in turn predict subsequent increases in bodily pain within a day. Because pain cognitions mediate the loneliness—pain link, FM interventions may benefit from addressing individuals’ vulnerability to maladaptive cognitions following lonely episodes. PMID:25637526

  14. Segmentation and the pairing hypothesis.

    PubMed

    Bragason, Orn

    2004-09-30

    The effect of stimulus contiguity and response contingency on responding in chain schedules was examined in two experiments. In Experiment 1, four pigeons were trained on two simple three-link chain schedules that alternated within sessions. Initial links were correlated with a variable-interval 30s schedule, and middle and terminal links were correlated with interdependent variable-interval 30s variable-interval 30s schedules. The combined duration of the interdependent schedules summed to 60s. The two chains differed with respect to signaling of the schedule components: a two-stimulus chain had one stimulus paired with the initial link and one stimulus paired with both the middle and the terminal link, while a three-stimulus chain had a different stimulus paired with the each of the three links. The results showed that the two-stimulus chain maintained lower initial-link responding than the three-stimulus chain. In Experiment 2, four pigeons were exposed to three separate conditions, the two- and three-stimulus chains of Experiment 1 and a three-stimulus chain that had a 3s delay to terminal-link entry from the middle-link response that produced it. The two-stimulus chain maintained lower initial-link responding than the three-stimulus chain, as in Experiment 1, and a similar initial-link responding was maintained by the two-stimulus chain and the three-stimulus chain with the delay contingency. The results demonstrate that a stimulus noncontiguous with food can maintain responding that is sometimes greater than a stimulus contiguous with food, depending on the response contingency for terminal-link entry. The results are contrary to the pairing hypothesis of conditioned reinforcement.

  15. 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

  16. Biliary lipid composition in monozygotic and dizygotic pairs of twins.

    PubMed Central

    Antero Kesäniemi, Y; Koskenvuo, M; Vuoristo, M; Miettinen, T A

    1989-01-01

    The relative contribution of genetic factors to biliary and serum lipid composition was studied in 17 monozygotic and 18 dizygotic middle aged male pairs of twins. Cholesterol precursors, squalene and Methylated sterols which reflect the activity of cholesterol synthesis were also measured. Pairwise intraclass correlations were determined for monozygotic and dizygotic twin pairs and heritability estimates were calculated. Molar % of biliary cholesterol and percentage distribution of biliary cholic acid and particularly deoxycholic acid showed significant pairwise correlations within the monozygotic but not the dizygotic pairs. Similar correlations were found for total biliary methylsterols and of the methylsterol subfractions for the two methostenols but not for squalene, lanosterol and dimethylsterols. In serum, the precursor sterols, but not squalene, showed even higher pairwise correlations in the monozygotic twins than the corresponding precursors in bile. Molar per cent of bile acids and phospholipids and cholesterol saturation index were not correlated significantly in either twin pairs, but the pairwise correlations tended to be higher in the monozygotic than in the dizygotic pairs. Gall stones were found in seven monozygotic and three dizygotic subjects. Two monozygotic twin pairs were concordant for gall stones; all the dizygotic pairs were discordant. Overall, these data suggest that molar percentage of biliary cholesterol, bile acid composition, cholesterol synthesis, bile cholesterol saturation, and gall stone formation may be under a significant genetic control. PMID:2612989

  17. 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

  18. 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

  19. Role of triplet polaron pairs in conjugated polymer photophysics

    NASA Astrophysics Data System (ADS)

    Wesely, Elizabeth; Rothberg, Lewis; Marchetti, Alfred; Chen, Shaw; Geng, Yanhou; Culligan, Sean

    2007-03-01

    We measure the decay of the long-lived fluorescence of a conjugated oligofluorene at temperatures from 300 K to 20 K. We conclude that nearly all of this emission arises from geminate recombination of photogenerated polaron pairs to reform the singlet exciton, and that charge pair recombination represents a significant contribution to the overall fluorescence quantum yield. The unusual nonmonotonic decay dynamics of the delayed fluorescence can be explained if we assume interconversion between singlet and triplet polaron pairs on the submicrosecond time scale. (˜500 ns.) We are able to model the decay of the delayed fluorescence by assuming activated recombination from a Gaussian energy distribution of singlet polaron pairs centered 0.2 eV below the excited state and having a standard deviation of 0.12 eV. The model is relevant to recent work involving the measurement of singlet-triplet branching ratios and to the yields of electroluminescent devices.

  20. Pair Tunneling through Single Molecules

    NASA Astrophysics Data System (ADS)

    Raikh, Mikhail

    2007-03-01

    Coupling to molecular vibrations induces a polaronic shift, and can lead to a negative charging energy, U. For negative U, the occupation of the ground state of the molecule is even. In this situation, virtual pair transitions between the molecule and the leads can dominate electron transport. At low temperature, T, these transitions give rise to the charge-Kondo effect [1]. We developed the electron transport theory through the negative-U molecule [2] at relatively high T, when the Kondo correlations are suppressed. Two physical ingredients distinguish our theory from the transport through a superconducting grain coupled to the normal leads [3]: (i) in parallel with sequential pair-tunneling processes, single-particle cotunneling processes take place; (ii) the electron pair on the molecule can be created (or annihilated) by two electrons tunneling in from (or out to) opposite leads. We found that, even within the rate-equation description, the behavior of differential conductance through the negative-U molecule as function of the gate voltage is quite peculiar: the height of the peak near the degeneracy point is independent of temperature, while its width is proportional to T. This is in contrast to the ordinary Coulomb-blockade conductance peak, whose integral strength is T-independent. At finite source-drain bias, V>>T, the width of the conductance peak is ˜V, whereas the conventional Coulomb-blockade peak at finite V splits into two sharp peaks at detunings V/2, and -V/2. Possible applications to the gate-controlled current rectification and switching will be discussed. [1] A. Taraphder and P. Coleman, Phys. Rev. Lett. 66, 2814 (1991). [2] J. Koch, M. E. Raikh, and F. von Oppen, Phys. Rev. Lett. 96, 056803 (2006). [3] F. W. J. Hekking, L. I. Glazman, K. A. Matveev, and R. I. Shekhter, Phys. Rev. Lett. 70, 4138 (1993).

  1. 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.

  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. 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.

  4. 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.

  5. 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

  6. Bound Polaron Pair Formation in Poly (phenylenevinylenes)

    NASA Astrophysics Data System (ADS)

    Rothberg, Lewis

    The following sections are included: * INTRODUCTION * PHOTOGENERATED YIELD OF SINGLET EXCITONS * AGGREGRATION EFFECTS ON EXCITED STATE PHOTO-GENERATION * ASSIGNMENT TO BOUND POLARON PAIRS AND DISCUSSION * PROBLEMS WITH THE BOUND POLARON PAIR PICTURE AND CONCLUSION * REFERENCES

  7. 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

  8. Regulation of DNA Pairing in Homologous Recombination

    PubMed Central

    Daley, James M.; Gaines, William A.; Kwon, YoungHo; Sung, Patrick

    2014-01-01

    Homologous recombination (HR) is a major mechanism for eliminating DNA double-strand breaks from chromosomes. In this process, the break termini are resected nucleolytically to form 3′ ssDNA (single-strand DNA) overhangs. A recombinase (i.e., a protein that catalyzes homologous DNA pairing and strand exchange) assembles onto the ssDNA and promotes pairing with a homologous duplex. DNA synthesis then initiates from the 3′ end of the invading strand, and the extended DNA joint is resolved via one of several pathways to restore the integrity of the injured chromosome. It is crucial that HR be carefully orchestrated because spurious events can create cytotoxic intermediates or cause genomic rearrangements and loss of gene heterozygosity, which can lead to cell death or contribute to the development of cancer. In this review, we will discuss how DNA motor proteins regulate HR via a dynamic balance of the recombination-promoting and -attenuating activities that they possess. PMID:25190078

  9. 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…

  10. 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…

  11. 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

  12. 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

    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.

  13. 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.

  14. Traditional and ion-pair halogen-bonded complexes between chlorine and bromine derivatives and a nitrogen-heterocyclic carbene.

    PubMed

    Donoso-Tauda, Oscar; Jaque, Pablo; Elguero, José; Alkorta, Ibon

    2014-10-01

    A theoretical study of the halogen-bonded complexes (A-X···C) formed between halogenated derivatives (A-X; A = F, Cl, Br, CN, CCH, CF3, CH3, H; and X = Cl, Br) and a nitrogen heterocyclic carbene, 1,3-dimethylimidazole-2-ylidene (MeIC) has been performed using MP2/aug'-cc-pVDZ level of theory. Two types of A-X:MeIC complexes, called here type-I and -II, were found and characterized. The first group is described by long C-X distances and small binding energies (8-54 kJ·mol(-1)). In general, these complexes show the traditional behavior of systems containing halogen-bonding interactions. The second type is characterized by short C-X distances and large binding energies (148-200 kJ·mol(-1)), and on the basis of the topological analysis of the electron density, they correspond to ion-pair halogen-bonded complexes. These complexes can be seen as the interaction between two charged fragments: A(-) and (+)[X-CIMe] with a high electrostatic contribution in the binding energy. The charge transfer between lone pair A(LP) to the σ* orbital of C-X bond is also identified as a significant stabilizing interaction in type-II complexes.

  15. "Let us help them to raise their children into good citizens": the Lone-Parent Families Act and the wages of care-giving in Israel.

    PubMed

    Helman, Sara

    2011-01-01

    Based on the assumption that the construction of meaning in the process of policy-making is crucial if we wish to understand the gender outcomes of social policy, this article analyzes the parliamentary debates that preceded and accompanied the legislation of the Israeli Mono-Parental Families Act, 1992. It focuses on the enunciation of gender roles and relations in the discourses that framed and justified the Act as well as on how the capacity to establish and maintain autonomous households was constructed and legitimized. Two sets of discourses emerged during the deliberations over the Act, each of which endeavored to interpret the needs, identities, and capacities for action among lone-parent families. The article shows how a specific version of the capacity to establish and maintain autonomous households—that of caregivers who happen to be workers—was privileged in the policy paradigm underlying the Act. The alternative vision—that of workers with caregiving responsibilities—was marginalized and eventually disregarded in the final wording and implementation of the Act. The article concludes with an analysis of the socio-political processes that underlie the prioritization of the version, which was ultimately expressed in the implementation of the Act. It is suggested that a state-level collective identity project shaped by demographic concerns and geo-political factors and changes in the political economy combined to define the needs, identities, and capacities for action of lone-parent families in terms of a model of motherhood in which care-giving trumped paid work.

  16. "Let us help them to raise their children into good citizens": the Lone-Parent Families Act and the wages of care-giving in Israel.

    PubMed

    Helman, Sara

    2011-01-01

    Based on the assumption that the construction of meaning in the process of policy-making is crucial if we wish to understand the gender outcomes of social policy, this article analyzes the parliamentary debates that preceded and accompanied the legislation of the Israeli Mono-Parental Families Act, 1992. It focuses on the enunciation of gender roles and relations in the discourses that framed and justified the Act as well as on how the capacity to establish and maintain autonomous households was constructed and legitimized. Two sets of discourses emerged during the deliberations over the Act, each of which endeavored to interpret the needs, identities, and capacities for action among lone-parent families. The article shows how a specific version of the capacity to establish and maintain autonomous households—that of caregivers who happen to be workers—was privileged in the policy paradigm underlying the Act. The alternative vision—that of workers with caregiving responsibilities—was marginalized and eventually disregarded in the final wording and implementation of the Act. The article concludes with an analysis of the socio-political processes that underlie the prioritization of the version, which was ultimately expressed in the implementation of the Act. It is suggested that a state-level collective identity project shaped by demographic concerns and geo-political factors and changes in the political economy combined to define the needs, identities, and capacities for action of lone-parent families in terms of a model of motherhood in which care-giving trumped paid work. PMID:21692244

  17. 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.

  18. High level ab initio calculations for ClF(n)+ (n = 1-6) ions: refining the recoupled pair bonding model.

    PubMed

    Chen, Lina; Woon, David E; Dunning, Thom H

    2013-05-23

    Based on detailed, high level ab initio calculations on a number of halogenated compounds of second row, late p-block elements, the SF(n), ClF(n), PFn, SCl(n), and SF(n)Cl families, we found that a new type of bond--the recoupled pair bond--accounts for the ability of these elements to form hypervalent, or hypercoordinated, compounds. Hypervalent molecules are formed when it is energetically favorable for the electrons in a lone pair orbital to be recoupled, allowing each of the electrons to form chemical bonds with ligands. In this paper, we characterize the structures and energies of the ground and low-lying excited states of the ClF(n)(+) (n = 1-6) ions, using high level ab initio methods [MRCI, CCSD(T)/RCCSD(T)] with large correlation consistent basis sets. We computed a number of quantities, including ClF(n)(+) structures, bond dissociation energies, and ClF(n) ionization energies and compared our results with the available experimental data. Both the bond dissociation energies and the ionization energies oscillate, variations that are readily explained using the recoupled pair bonding model. Comparisons are drawn between the ClF(n)(+) cations and their counterparts in the isoelectronic SF(n) series, which possess many similarities. We found two significant differences between the ClF(n)(+) and the SF(n) series: (i) the bond dissociation energies of ClF(n)(+) are much weaker than those of the corresponding SF(n) species, and (ii) there is no stable (3)A2 state in ClF2(+) corresponding to the stable state found in SF2. An examination of the Mulliken populations at the HF/AVTZ level for ClF(n)(+) and SF(n) species predicts that the F atom in the axial (recoupled pair bonding) position is more highly charged than the F atom in the equatorial (covalent bonding) position; there is also less charge transfer to the F atoms in ClF(n)(+) than in SF(n). The positive charge on Cl(+) makes it more difficult for an F atom to attract electrons from Cl(+) than from S and

  19. 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…

  20. Pair versus Individual Writing: Effects on Fluency, Complexity and Accuracy

    ERIC Educational Resources Information Center

    Wigglesworth, Gillian; Storch, Neomy

    2009-01-01

    The assessment of oral language is now quite commonly done in pairs or groups, and there is a growing body of research which investigates the related issues (e.g. May, 2007). Writing generally tends to be thought of as an individual activity, although a small number of studies have documented the advantages of collaboration in writing in the…

  1. The Pairing Game: A Classroom Demonstration of the Matching Phenomenon.

    ERIC Educational Resources Information Center

    Ellis, Bruce J.; Kelley, Harold H.

    1999-01-01

    Describes a simulation called "The Pairing Game" where students investigate the matching phenomenon. Explains that this activity demonstrates how: (1) matching on overall social value can occur by seeking the highest possible value in a partner; and (2) individuals discover their own social value through this process of mate selection. (CMK)

  2. 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

  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. 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.

  5. 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.

  6. Pair housing reverses post-stroke depressive behavior in mice.

    PubMed

    Verma, Rajkumar; Friedler, Brett D; Harris, Nia M; McCullough, Louise D

    2014-08-01

    Social isolation (SI) has been linked epidemiologically to high rates of morbidity and mortality following stroke. In contrast, strong social support enhances recovery and lowers stroke recurrence. However, the mechanism by which social support influences stroke recovery has not been adequately explored. The goal of this study was to examine the effect of post-stroke pair housing and SI on behavioral phenotypes and chronic functional recovery in mice. Young male mice were paired for 14 days before a 60 min transient middle cerebral artery occlusion (MCAO) or sham surgery and assigned to various housing environments immediately after stroke. Post-stroke mice paired with either a sham or stroke partner showed significantly higher (P<0.05) sociability after MCAO than isolated littermates. Sociability deficits worsened over time in isolated animals. Pair-housed mice showed restored sucrose consumption (P<0.05) and reduced immobility in the tail suspension test compared to isolated cohorts. Pair-housed stroked mice demonstrated significantly reduced cerebral atrophy after 6 weeks (17.5 ± 1.5% in PH versus 40.8 ± 1.3% in SI; P<0.001). Surprisingly, total brain arginase-1, a marker of a M2 "alternatively activated" myeloid cells was higher in isolated mice. However, a more detailed assessment of cellular expression showed a significant increase in the number of microglia that co-labeled with arginase-1 in the peri-infarct region in PH stroke mice compared to SI mice. Pair housing enhances sociability and reduces avolitional and anhedonic behavior. Pair housing reduced serum IL-6 and enhanced peri-infarct microglia arginase-1 expression. Social interaction reduces post-stroke depression and improves functional recovery.

  7. 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.

  8. Pair production and escape in accretion disks.

    NASA Astrophysics Data System (ADS)

    Meirelles Filho, C.; Liang, E. P.

    It is shown that, in the absence of confining mechanisms, there will be a non-negligible amount of pairs escaping from the inner region of a Comptonized soft photon two-temperature accretion disk, when pair production is not balanced by annihilation. Assuming conditions such that the photons and particles in the disk can be regarded as close to a Wien plasma (Svensson, 1984), the authors calculate the rate of pair escape from the disk for both a situation close to pair balance and a situation with the rate of escape exceeding annihilation. The pairs are assumed to be created by photon-photon processes. Within this model one can account for the 511 keV γ-ray luminosity due to pair annihilation in the ISM, as recently observed in the Einstein source.

  9. Dynamical evolution of comet pairs

    NASA Astrophysics Data System (ADS)

    Sosa, Andrea; Fernández, Julio A.

    2016-10-01

    Some Jupiter family comets in near-Earth orbits (thereafter NEJFCs) show a remarkable similarity in their present orbits, like for instance 169P/NEAT and P/2003 T12 (SOHO), or 252P/LINEAR and P/2016 BA14 (PANSTARRS). By means of numerical integrations we studied the dynamical evolution of these objects. In particular, for each pair of presumably related objects, we are interested in assessing the stability of the orbital parameters for several thousand years, and to find a minimum of their relative spatial distance, coincident with a low value of their relative velocity. For those cases for which we find a well defined minimum of their relative orbital separation, we are trying to reproduce the actual orbit of the hypothetical fragment by modeling a fragmentation of the parent body. Some model parameters are the relative ejection velocity (a few m/s), the orbital point at which the fragmentation could have happened (e.g. perihelion), and the elapsed time since fragmentation. In addition, some possible fragmentation mechanisms, like thermal stress, rotational instability, or collisions, could be explored. According to Fernández J.A and Sosa A. 2015 (Planetary and Space Science 118,pp.14-24), some NEJFCs might come from the outer asteroid belt, and then they would have a more consolidated structure and a higher mineral content than that of comets coming from the trans-Neptunian belt or the Oort cloud. Therefore, such objects would have a much longer physical lifetime in the near-Earth region, and could become potential candidates to produce visible meteor showers (as for example 169P/NEAT which has been identified as the parent body of the alpha-Capricornid meteoroid stream, according to Jenniskens, P., Vaubaillon, J., 2010 (Astron. J. 139), and Kasuga, T., Balam, D.D., Wiegert, P.A., 2010 (Astron. J. 139).

  10. 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

  11. 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.

  12. 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

  13. Contiguous triple spinal dysraphism associated with Chiari malformation Type II and hydrocephalus: an embryological conundrum between the unified theory of Pang and the unified theory of McLone.

    PubMed

    Dhandapani, Sivashanmugam; Srinivasan, Anirudh

    2016-01-01

    Triple spinal dysraphism is extremely rare. There are published reports of multiple discrete neural tube defects with intervening normal segments that are explained by the multisite closure theory of primary neurulation, having an association with Chiari malformation Type II consistent with the unified theory of McLone. The authors report on a 1-year-old child with contiguous myelomeningocele and lipomyelomeningocele centered on Type I split cord malformation with Chiari malformation Type II and hydrocephalus. This composite anomaly is probably due to select abnormalities of the neurenteric canal during gastrulation, with a contiguous cascading impact on both dysjunction of the neural tube and closure of the neuropore, resulting in a small posterior fossa, probably bringing the unified theory of McLone closer to the unified theory of Pang.

  14. 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…

  15. 22 CFR 62.31 - Au pairs.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... pair participant with child development and child safety instruction, as follows: (1) Prior to... development instruction of which no less than 4 shall be devoted to specific training for children under the... and participate directly in the home life of the host family. All au pair participants provide...

  16. 22 CFR 62.31 - Au pairs.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... pair participant with child development and child safety instruction, as follows: (1) Prior to... development instruction of which no less than 4 shall be devoted to specific training for children under the... and participate directly in the home life of the host family. All au pair participants provide...

  17. 22 CFR 62.31 - Au pairs.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... pair participant with child development and child safety instruction, as follows: (1) Prior to... development instruction of which no less than 4 shall be devoted to specific training for children under the... and participate directly in the home life of the host family. All au pair participants provide...

  18. 22 CFR 62.31 - Au pairs.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... pair participant with child development and child safety instruction, as follows: (1) Prior to... development instruction of which no less than 4 shall be devoted to specific training for children under the... and participate directly in the home life of the host family. All au pair participants provide...

  19. 22 CFR 62.31 - Au pairs.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... pair participant with child development and child safety instruction, as follows: (1) Prior to... development instruction of which no less than 4 shall be devoted to specific training for children under the... and participate directly in the home life of the host family. All au pair participants provide...

  20. 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.

  1. 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…

  2. Bidirectional Synonym Ratings of 464 Noun Pairs.

    ERIC Educational Resources Information Center

    Whitten, William B.; And Others

    1979-01-01

    Each of 464 noun pairs was rated for synonymy on a seven-point scale by college students to provide an extensive set of synonym pairs for use as stimuli in experiments, and to evaluate the effects of word encoding order on perceived synonymy. (SW)

  3. 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.

  4. Spontaneous formation of inert oscillator pairs

    NASA Astrophysics Data System (ADS)

    Tsygankov, Denis; Wiesenfeld, Kurt

    2004-05-01

    We describe a peculiar type of spontaneous synchronization in a transmission line studded with nonlinear oscillators. After a transient period of complicated interactions, the elements form strongly synchronized pairs with interactions between these pairs virtually nil. The creation of these “dynamical dimers” appears to stem from the coupling intrinsic to transmission lines rather than any specific property of the nonlinear oscillators.

  5. 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

  6. Collective pairing Hamiltonian in the GCM approximation

    NASA Astrophysics Data System (ADS)

    Góźdź, A.; Pomorski, K.; Brack, M.; Werner, E.

    1985-08-01

    Using the generator coordinate method and the gaussian overlap approximation we derived the collective Schrödinger-type equation starting from a microscopic single-particle plus pairing hamiltonian for one kind of particle. The BCS wave function was used as the generator function. The pairing energy-gap parameter Δ and the gauge transformation anglewere taken as the generator coordinates. Numerical results have been obtained for the full and the mean-field pairing hamiltonians and compared with the cranking estimates. A significant role played by the zero-point energy correction in the collective pairing potential is found. The ground-state energy dependence on the pairing strength agrees very well with the exact solution of the Richardson model for a set of equidistant doubly-degenerate single-particle levels.

  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. 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.

  9. Detecting a preformed pair phase: Response to a pairing forcing field

    NASA Astrophysics Data System (ADS)

    Tagliavini, A.; Capone, M.; Toschi, A.

    2016-10-01

    The normal state of strongly coupled superconductors is characterized by the presence of "preformed" Cooper pairs well above the superconducting critical temperature. In this regime, the electrons are paired, but they lack the phase coherence necessary for superconductivity. The existence of preformed pairs implies the existence of a characteristic energy scale associated with a pseudogap. Preformed pairs are often invoked to interpret systems where some signatures of pairing are present without actual superconductivity, but an unambiguous theoretical characterization of a preformed-pair system is still lacking. To fill this gap, we consider the response to an external pairing field of an attractive Hubbard model, which hosts one of the cleanest realizations of a preformed pair phase, and a repulsive model where s -wave superconductivity cannot be realized. Using dynamical mean-field theory to study this response, we identify the characteristic features which distinguish the reaction of a preformed pair state from a normal metal without any precursor of pairing. The theoretical detection of preformed pairs is associated with the behavior of the second derivative of the order parameter with respect to the external field, as confirmed by analytic calculations in limiting cases. Our findings provide a solid test bed for the interpretation of state-of-the-art calculations for the normal state of the doped Hubbard model in terms of d -wave preformed pairs and, in perspective, of nonequilibrium experiments in high-temperature superconductors.

  10. An introduction to the pair-reflection model of X-ray spectra in AGN's

    NASA Astrophysics Data System (ADS)

    Svensson, Roland

    1992-03-01

    The pair reflection model of Zdziarski, Ghisellini, George, Svensson, Fabian, and Done (1990), in which most features of the extreme ultraviolet gamma ray spectra of Active Galactic Nuclei (AGN) are accounted for is considered. Details of the conception of the model are given and the model itself is explained. In the pair reflection model a pair cloud located above a cold slab generates a self consistently computed nonthermal spectrum that irradiates and is reflected by the slab. Some of these features are discussed using simplest possible arguments. The robustness of the pair reflection model as well as possible variability patterns are also discussed.

  11. 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.

  12. Nonlinear backbone torsional pair correlations in proteins

    PubMed Central

    Long, Shiyang; Tian, Pu

    2016-01-01

    Protein allostery requires dynamical structural correlations. Physical origin of which, however, remain elusive despite intensive studies during last two and half decades. Based on analysis of molecular dynamics (MD) simulation trajectories for ten proteins with different sizes and folds, we found that nonlinear backbone torsional pair (BTP) correlations, which are mainly spatially long-ranged and are dominantly executed by loop residues, exist extensively in most analyzed proteins. Examination of torsional motion for correlated BTPs suggested that such nonlinear correlations are mainly associated aharmonic torsional state transitions and in some cases strongly anisotropic local torsional motion of participating torsions, and occur on widely different and relatively longer time scales. In contrast, correlations between backbone torsions in stable α helices and β strands are mainly linear and spatially short-ranged, and are more likely to associate with harmonic local torsional motion. Further analysis revealed that the direct cause of nonlinear contributions are heterogeneous linear correlations. These findings implicate a general search strategy for novel allosteric modulation sites of protein activities. PMID:27708342

  13. Nonlinear backbone torsional pair correlations in proteins

    NASA Astrophysics Data System (ADS)

    Long, Shiyang; Tian, Pu

    2016-10-01

    Protein allostery requires dynamical structural correlations. Physical origin of which, however, remain elusive despite intensive studies during last two and half decades. Based on analysis of molecular dynamics (MD) simulation trajectories for ten proteins with different sizes and folds, we found that nonlinear backbone torsional pair (BTP) correlations, which are mainly spatially long-ranged and are dominantly executed by loop residues, exist extensively in most analyzed proteins. Examination of torsional motion for correlated BTPs suggested that such nonlinear correlations are mainly associated aharmonic torsional state transitions and in some cases strongly anisotropic local torsional motion of participating torsions, and occur on widely different and relatively longer time scales. In contrast, correlations between backbone torsions in stable α helices and β strands are mainly linear and spatially short-ranged, and are more likely to associate with harmonic local torsional motion. Further analysis revealed that the direct cause of nonlinear contributions are heterogeneous linear correlations. These findings implicate a general search strategy for novel allosteric modulation sites of protein activities.

  14. 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

  15. Optical emission of a molecular nanoantenna pair

    NASA Astrophysics Data System (ADS)

    Rice, E. M.; Andrews, D. L.

    2012-06-01

    The optical emission from a pair of nanoantennas is investigated within the theoretical framework of quantum electrodynamics. The analysis of fluorescent emission from a pair of molecular antenna species in close proximity is prompted by experimental work on oriented semiconductor polymer nanostructures. Each physically different possibility for separation-dependent features in photon emission by any such pair is explored in detail, leading to the identification of three distinct mechanisms: emission from a pair-delocalized exciton state, emission that engages electrodynamic coupling through quantum interference, and correlated photon emission from the two components of the pair. Although each mechanism produces a damped oscillatory dependence on the pair separation, each of the corresponding results exhibits an analytically different form. Significant differences in the associated spatial frequencies enable an apparent ambiguity in the interpretation of experiments to be resolved. Other major differences are found in the requisite conditions, the associated selection rules, and the variation with angular disposition of the emitters, together offering grounds for experimental discrimination between the coupling mechanisms. The analysis paves the way for investigations of pair-wise coupling effects in the emission from nanoantenna arrays.

  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. Colors of dynamically associated asteroid pairs

    NASA Astrophysics Data System (ADS)

    Moskovitz, Nicholas A.

    2012-09-01

    Recent dynamical studies have identified pairs of asteroids that reside in nearly identical heliocentric orbits. Possible formation scenarios for these systems include dissociation of binary asteroids, collisional disruption of a single parent body, or spin-up and rotational fission of a rubble-pile. Aside from detailed dynamical analyses and measurement of rotational light curves, little work has been done to investigate the colors or spectra of these unusual objects. A photometric and spectroscopic survey was conducted to determine the reflectance properties of asteroid pairs. New observations were obtained for a total of 34 individual asteroids. Additional photometric measurements were retrieved from the Sloan Digital Sky Survey Moving Object Catalog. Colors or spectra for a total of 42 pair components are presented here. The main findings of this work are: (1) the components in the observed pair systems have the same colors within the uncertainties of this survey, and (2) the color distribution of asteroid pairs appears indistinguishable from that of all Main Belt asteroids. These findings support a scenario of pair formation from a common progenitor and suggest that pair formation is likely a compositionally independent process. In agreement with previous studies, this is most consistent with an origin via binary disruption and/or rotational fission.

  18. 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

  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. 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.

  1. 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

  2. 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

  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

    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.

  6. Paired Stimulation to Promote Lasting Augmentation of Corticospinal Circuits

    PubMed Central

    2016-01-01

    After injury, electrical stimulation of the nervous system can augment plasticity of spared or latent circuits through focal modulation. Pairing stimulation of two parts of a spared circuit can target modulation more specifically to the intended circuit. We discuss 3 kinds of paired stimulation in the context of the corticospinal system, because of its importance in clinical neurorehabilitation. The first uses principles of Hebbian plasticity: by altering the stimulation timing of presynaptic neurons and their postsynaptic targets, synapse function can be modulated up or down. The second form uses synchronized presynaptic inputs onto a common synaptic target. We dub this a “convergent” mechanism, because stimuli have to converge on a common target with coordinated timing. The third form induces focal modulation by tonic excitation of one region (e.g., the spinal cord) during phasic stimulation of another (e.g., motor cortex). Additionally, endogenous neural activity may be paired with exogenous electrical stimulation. This review addresses what is known about paired stimulation of the corticospinal system of both humans and animal models, emphasizes how it qualitatively differs from single-site stimulation, and discusses the gaps in knowledge that must be addressed to maximize its use and efficacy in neurorehabilitation. PMID:27800189

  7. Engineering a factorable photon pair source

    SciTech Connect

    Zielnicki, Kevin; Kwiat, Paul

    2014-12-04

    Spontaneous parametric downconversion is an important process for producing pairs of photons for quantum optics. We discuss a scheme for eliminating undesired inter-photon correlations inherent in this process, and an efficient characterization of spectral correlations.

  8. 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.

  9. 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.

  10. 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.

  11. Mixed parity pairing in a dipolar gas

    NASA Astrophysics Data System (ADS)

    Bruun, G. M.; Hainzl, C.; Laux, M.

    2016-10-01

    We show that fermionic dipoles in a two-layer geometry form Cooper pairs with both singlet and triplet components when they are tilted with respect to the normal of the planes. The mixed parity pairing arises because the interaction between dipoles in the two different layers is not inversion symmetric. We use an efficient eigenvalue approach to calculate the zero-temperature phase diagram of the system as a function of the dipole orientation and the layer distance. The phase diagram contains purely triplet as well as mixed singlet and triplet superfluid phases. We show in detail how the pair wave function for dipoles residing in different layers smoothly changes from singlet to triplet symmetry as the orientation of the dipoles is changed. Our results indicate that dipolar quantum gases can be used to unambiguously observe mixed parity pairing.

  12. 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

  13. Extracting differential pair distribution functions using MIXSCAT

    SciTech Connect

    Wurden, Caroline; Page, Katharine; Llobet, Anna; White, Claire E.; Proffen, Thomas

    2010-08-27

    Differently weighted experimental scattering data have been used to extract partial or differential structure factors or pair distribution functions in studying many materials. However, this is not done routinely partly because of the lack of user-friendly software. This paper presents MIXSCAT, a new member of the DISCUS program package. MIXSCAT allows one to combine neutron and X-ray pair distribution functions and extract their respective differential functions.

  14. 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.

  15. Formation of asteroid pairs by rotational fission.

    PubMed

    Pravec, P; Vokrouhlický, D; Polishook, D; Scheeres, D J; Harris, A W; Galád, A; Vaduvescu, O; Pozo, F; Barr, A; Longa, P; Vachier, F; Colas, F; Pray, D P; Pollock, J; Reichart, D; Ivarsen, K; Haislip, J; Lacluyze, A; Kusnirák, P; Henych, T; Marchis, F; Macomber, B; Jacobson, S A; Krugly, Yu N; Sergeev, A V; Leroy, A

    2010-08-26

    Pairs of asteroids sharing similar heliocentric orbits, but not bound together, were found recently. Backward integrations of their orbits indicated that they separated gently with low relative velocities, but did not provide additional insight into their formation mechanism. A previously hypothesized rotational fission process may explain their formation-critical predictions are that the mass ratios are less than about 0.2 and, as the mass ratio approaches this upper limit, the spin period of the larger body becomes long. Here we report photometric observations of a sample of asteroid pairs, revealing that the primaries of pairs with mass ratios much less than 0.2 rotate rapidly, near their critical fission frequency. As the mass ratio approaches 0.2, the primary period grows long. This occurs as the total energy of the system approaches zero, requiring the asteroid pair to extract an increasing fraction of energy from the primary's spin in order to escape. We do not find asteroid pairs with mass ratios larger than 0.2. Rotationally fissioned systems beyond this limit have insufficient energy to disrupt. We conclude that asteroid pairs are formed by the rotational fission of a parent asteroid into a proto-binary system, which subsequently disrupts under its own internal system dynamics soon after formation.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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

  1. Induced spectral gap and pairing correlations from superconducting proximity effect

    NASA Astrophysics Data System (ADS)

    Chiu, Ching-Kai; Cole, William S.; Das Sarma, S.

    2016-09-01

    We theoretically consider superconducting proximity effect, using the Bogoliubov-de Gennes (BdG) theory, in heterostructure sandwich-type geometries involving a normal s -wave superconductor and a nonsuperconducting material with the proximity effect being driven by Cooper pairs tunneling from the superconducting slab to the nonsuperconducting slab. Applications of the superconducting proximity effect may rely on an induced spectral gap or induced pairing correlations without any spectral gap. We clarify that in a nonsuperconducting material the induced spectral gap and pairing correlations are independent physical quantities arising from the proximity effect. This is a crucial issue in proposals to create topological superconductivity through the proximity effect. Heterostructures of three-dimensional topological insulator (TI) slabs on conventional s -wave superconductor (SC) substrates provide a platform, with proximity-induced topological superconductivity expected to be observed on the "naked" top surface of a thin TI slab. We theoretically study the induced superconducting gap on this naked surface. In addition, we compare against the induced spectral gap in heterostructures of SC with a normal metal or a semiconductor with strong spin-orbit coupling and a Zeeman splitting potential (another promising platform for topological superconductivity). We find that for any model for the non-SC metal (including metallic TI) the induced spectral gap on the naked surface decays as L-3 as the thickness (L ) of the non-SC slab is increased in contrast to the slower 1 /L decay of the pairing correlations. Our distinction between proximity-induced spectral gap (with its faster spatial decay) and pairing correlation (with its slower spatial decay) has important implications for the currently active search for topological superconductivity and Majorana fermions in various superconducting heterostructures.

  2. 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.

  3. The lonely mouse - single housing affects serotonergic signaling integrity measured by 8-OH-DPAT-induced hypothermia in male mice.

    PubMed

    Kalliokoski, Otto; Teilmann, A Charlotte; Jacobsen, Kirsten R; Abelson, Klas S P; Hau, Jann

    2014-01-01

    Male BALB/c mice single-housed for a period of three weeks were found to respond with a more marked hypothermia to a challenge with a selective serotonergic agonist (8-OH-DPAT) than their group-housed counterparts. This effect of single housing was verified by screening a genetically heterogeneous population of male mice on a C57BL/6 background from a breeding colony. Enhanced activity of the implicated receptor (5-HT1A) leading to an amplified hypothermic effect is strongly associated with depressive states. We therefore suggest that the 8-OH-DPAT challenge can be used to demonstrate a negative emotional state brought on by e.g. long-term single housing in male laboratory mice. The study emphasizes the importance of social housing, and demonstrates that male mice deprived of social contact respond with altered serotonergic signaling activity. Male mice not only choose social contact when given the option, as has previously been shown, but will also, when it is deprived, be negatively affected by its absence. We propose that the 8-OH-DPAT challenge constitutes a simple, but powerful, tool capable of manifesting the effect of social deprivation in laboratory mice. It potentially allows not only for an unbiased, biochemical evaluation of psychological stressors, but may also allow for determining whether the effect of these can be counteracted.

  4. Experimental extraction of an entangled photon pair from two identically decohered pairs.

    PubMed

    Yamamoto, Takashi; Koashi, Masato; Ozdemir, Sahin Kaya; Imoto, Nobuyuki

    2003-01-23

    Entanglement is considered to be one of the most important resources in quantum information processing schemes, including teleportation, dense coding and entanglement-based quantum key distribution. Because entanglement cannot be generated by classical communication between distant parties, distribution of entangled particles between them is necessary. During the distribution process, entanglement between the particles is degraded by the decoherence and dissipation processes that result from unavoidable coupling with the environment. Entanglement distillation and concentration schemes are therefore needed to extract pairs with a higher degree of entanglement from these less-entangled pairs; this is accomplished using local operations and classical communication. Here we report an experimental demonstration of extraction of a polarization-entangled photon pair from two decohered photon pairs. Two polarization-entangled photon pairs are generated by spontaneous parametric down-conversion and then distributed through a channel that induces identical phase fluctuations to both pairs; this ensures that no entanglement is available as long as each pair is manipulated individually. Then, through collective local operations and classical communication we extract from the two decohered pairs a photon pair that is observed to be polarization-entangled.

  5. High base pair opening rates in tracts of GC base pairs.

    PubMed

    Dornberger, U; Leijon, M; Fritzsche, H

    1999-03-12

    Sequence-dependent structural features of the DNA double helix have a strong influence on the base pair opening dynamics. Here we report a detailed study of the kinetics of base pair breathing in tracts of GC base pairs in DNA duplexes derived from 1H NMR measurements of the imino proton exchange rates upon titration with the exchange catalyst ammonia. In the limit of infinite exchange catalyst concentration, the exchange times of the guanine imino protons of the GC tracts extrapolate to much shorter base pair lifetimes than commonly observed for isolated GC base pairs. The base pair lifetimes in the GC tracts are below 5 ms for almost all of the base pairs. The unusually rapid base pair opening dynamics of GC tracts are in striking contrast to the behavior of AT tracts, where very long base pair lifetimes are observed. The implication of these findings for the structural principles governing spontaneous helix opening as well as the DNA-binding specificity of the cytosine-5-methyltransferases, where flipping of the cytosine base has been observed, are discussed.

  6. Geometrical parameters of E+S pairs

    NASA Technical Reports Server (NTRS)

    Rampazzo, Roberto; Sulentic, Jack W.

    1990-01-01

    Local environmental conditions (i.e., density and angular momentum properties of protogalactic clouds) are thought to be factors affecting the ultimate morphology of a galaxy. The existence of significant numbers of mixed morphology (E/SO+S) pairs of galaxies would represent a direct challenge to this idea unless all early-type components are formed by mergers. The authors wished to isolate candidate E+S pairs for detailed study. The authors have observed 22 pairs of mixed morphology galaxies (containing at least one early-type component) selected from a catalog of Sulentic (1988: unpublished) based upon the ESO sky survey. The observed sample and relevant morphological and interaction characteristics are summarized in tabular form. The authors report the relevant geometrical properties of the galaxies in another table. They list the maximum values measured for the ellipticity and the a(4)/a shape parameter together with the total measured twisting along the profile beyond the seeing disk (they set an inner limit of 3 arcsed). An asterisk indicates objects in which a(4)/a is neither predominantly boxy nor disky. They found a large number of true mixed pairs with 13/22 E+S pairs in the present sample. The remaining objects include 5 disk pairs (composed of SO and S members) and 3 early-type pairs comprising E and SO members. They estimate that between 25 and 50 percent of the pairs in any complete sample will be of the E+S type. This suggests that 100 to 200 such pairs exist on the sky brighter than m sub pg = 16.0. They found no global evidence for a difference between E members of this sample and those in more general samples (e.g., Bender et al. 1989). In particular, they found that about 30 percent of the early-type galaxies cannot be classified either predominantly boxy or disky because the a(4)/a profile shows both of these features at a comparable level or does not show any significant trend. Isophotal twisting is observed with a range and distribution

  7. 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.

  8. Pairing instabilities of Dirac composite fermions

    NASA Astrophysics Data System (ADS)

    Milovanović, M. V.; Ćirić, M. Dimitrijević; Juričić, V.

    2016-09-01

    Recently, a Dirac (particle-hole symmetric) description of composite fermions in the half-filled Landau level (LL) was proposed [D. T. Son, Phys. Rev. X 5, 031027 (2015), 10.1103/PhysRevX.5.031027], and we study its possible consequences on BCS (Cooper) pairing of composite fermions (CFs). One of the main consequences is the existence of anisotropic states in single-layer and bilayer systems, which was previously suggested in Jeong and Park [J. S. Jeong and K. Park, Phys. Rev. B 91, 195119 (2015), 10.1103/PhysRevB.91.195119]. We argue that in the half-filled LL in the single-layer case the gapped states may sustain anisotropy, because isotropic pairings may coexist with anisotropic ones. Furthermore, anisotropic pairings with the addition of a particle-hole symmetry-breaking mass term may evolve into rotationally symmetric states, i.e., Pfaffian states of Halperin-Lee-Read (HLR) ordinary CFs. On the basis of the Dirac formalism, we argue that in the quantum Hall bilayer at total filling factor 1, with decreasing distance between the layers, weak pairing of p -wave paired CFs is gradually transformed from Dirac to ordinary, HLR-like, with a concomitant decrease in the CF number. Global characterization of low-energy spectra based on the Dirac CFs agrees well with previous calculations performed by exact diagonalization on a torus. Finally, we discuss features of the Dirac formalism when applied in this context.

  9. Parity Protection in Flux-Pairing Qubits

    NASA Astrophysics Data System (ADS)

    Zhang, Wenyuan; Bell, Matthew; Jin, Xiaoyue; Ioffe, Lev; Gershenson, Michael

    2015-03-01

    We have studied a novel qubit whose logical states are decoupled from the environment due to parity protection. The flux-pairing qubit (FPQ) is a superconducting loop consisting of a 4 π periodic Josephson element (a Cooper pair box with the e charge on the central island) and a superinductor. This device is dual to the charge-pairing qubit. The FPQ design suppresses tunneling of single flux lines through the junctions in the Cooper pair box and enforces simultaneous tunneling of pairs of flux lines. The lowest-energy quantum states of the FPQ are encoded in the parity of the magnetic flux quanta inside the loop. Parity protection prohibits the mixing of these states, and reduces both the decay and dephasing rates. We will discuss the experimental aspects of the FPQ optimization and the possibility of fault-tolerant operations with these qubits. The work was supported in part by grants from the Templeton Foundation (40381) and the NSF (DMR-1006265).

  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. 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

  12. Pairing and specific heat in hot nuclei

    NASA Astrophysics Data System (ADS)

    Gambacurta, Danilo; Lacroix, Denis; Sandulescu, N.

    2013-09-01

    The thermodynamics of pairing phase-transition in nuclei is studied in the canonical ensemble and treating the pairing correlations in a finite-temperature variation after projection BCS approach (FT-VAP). Due to the restoration of particle number conservation, the pairing gap and the specific heat calculated in the FT-VAP approach vary smoothly with the temperature, indicating a gradual transition from the superfluid to the normal phase, as expected in finite systems. We have checked that the predictions of the FT-VAP approach are very accurate when compared to the results obtained by an exact diagonalization of the pairing Hamiltonian. The influence of pairing correlations on specific heat is analyzed for the isotopes 161,162Dy and 171,172Yb. It is shown that the FT-VAP approach, applied with a level density provided by mean field calculations and supplemented, at high energies, by the level density of the back-shifted Fermi gas model, can approximate reasonably well the main properties of specific heat extracted from experimental data. However, the detailed shape of the calculated specific heat is rather sensitive to the assumption made for the mean field.

  13. Pairing in a dry Fermi sea

    DOE PAGES

    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

  14. 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

  15. 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

  16. 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.

  17. Automated DNA Base Pair Calling Algorithm

    1999-07-07

    The procedure solves the problem of calling the DNA base pair sequence from two channel electropherogram separations in an automated fashion. The core of the program involves a peak picking algorithm based upon first, second, and third derivative spectra for each electropherogram channel, signal levels as a function of time, peak spacing, base pair signal to noise sequence patterns, frequency vs ratio of the two channel histograms, and confidence levels generated during the run. Themore » ratios of the two channels at peak centers can be used to accurately and reproducibly determine the base pair sequence. A further enhancement is a novel Gaussian deconvolution used to determine the peak heights used in generating the ratio.« less

  18. Hard Photodisintegration of a Proton Pair

    DOE PAGES

    Pomerantz, Ishay; Bubis, Nathaniel; Allada, Kalyan; Beck, Arie; Beck, Sara; Berman, Barry L.; Boeglin, Werner U.; Camsonne, Alexandre; Canan, Mustafa; Chirapatpimol, Khem; et al

    2010-01-08

    We present the first study of high energy photodisintegration of proton-pairs through the gamma + 3He -> p+p+n channel. Photon energies from 0.8 to 4.7 GeV were used in kinematics corresponding to a proton pair with high relative momentum and a neutron nearly at rest. An s^{-11} scaling of the cross section was observed, as predicted by the constituent counting rule. The onset of the scaling is at a higher energy and the cross section is significantly lower then for pn pair photodisintegration. For photon energies below the scaling region, the scaled cross section was found to present a strongmore » energy-dependent structure not observed in deuteron photodisintegration.« less

  19. Parametric Amplification of Scattered Atom Pairs

    SciTech Connect

    Campbell, Gretchen K.; Mun, Jongchul; Boyd, Micah; Streed, Erik W.; Ketterle, Wolfgang; Pritchard, David E.

    2006-01-20

    We have observed parametric generation and amplification of ultracold atom pairs. A {sup 87}Rb Bose-Einstein condensate was loaded into a one-dimensional optical lattice with quasimomentum k{sub 0} and spontaneously scattered into two final states with quasimomenta k{sub 1} and k{sub 2}. Furthermore, when a seed of atoms was first created with quasimomentum k{sub 1} we observed parametric amplification of scattered atoms pairs in states k{sub 1} and k{sub 2} when the phase-matching condition was fulfilled. This process is analogous to optical parametric generation and amplification of photons and could be used to efficiently create entangled pairs of atoms. Furthermore, these results explain the dynamic instability of condensates in moving lattices observed in recent experiments.

  20. Hadronic production of massive lepton pairs

    SciTech Connect

    Berger, E.L.

    1982-12-01

    A review is presented of recent experimental and theoretical progress in studies of the production of massive lepton pairs in hadronic collisions. I begin with the classical Drell-Yan annihilation model and its predictions. Subsequently, I discuss deviations from scaling, the status of the proofs of factorization in the parton model, higher-order terms in the perturbative QCD expansion, the discrepancy between measured and predicted yields (K factor), high-twist terms, soft gluon effects, transverse-momentum distributions, implications for weak vector boson (W/sup + -/ and Z/sup 0/) yields and production properties, nuclear A dependence effects, correlations of the lepton pair with hadrons in the final state, and angular distributions in the lepton-pair rest frame.