WorldWideScience

Sample records for dependent pair interactions

  1. Superdeformed rotational bands with density dependent pairing interactions

    Energy Technology Data Exchange (ETDEWEB)

    Terasaki, J. [Service de Physique Nucleaire Theorique, Brussels (Belgium); Heenen, P.H. [Service de Physique Nucleaire Theorique, Brussels (Belgium); Bonche, P. [SPhT - CE Saclay, 91191 Gif-sur-Yvette Cedex (France); Dobaczewski, J. [Institute of Theoretical Physics, Warsaw University, Hoza 69, PL-00-681 Warsaw (Poland); Flocard, H. [Division de Physique Theorique, Institut de Physique Nucleaire, 91406 Orsay Cedex (France)

    1995-10-09

    The cranked Hartree-Fock-Bogoliubov method, applied in a previous study to SD bands of even Hg and Pb isotopes, is extended by including pairing correlations described by a zero-range density-dependent interaction. This more realistic description of the pairing channel modifies the balance between the neutron and proton pairing energies and introduces an orbital variation of the pairing gaps. This results in a retarded alignment, significantly improving the agreement with data in both the A=150 and 190 mass regions. The behavior expected for SD bands in odd-N or odd-Z nuclei is discussed on the basis of the quasiparticle routhians calculated for the even-even isotopes. (orig.).

  2. Superdeformed rotational bands with density dependent pairing interactions

    Science.gov (United States)

    Terasaki, J.; Heenen, P.-H.; Bonche, P.; Dobaczewski, J.; Flocard, H.

    1995-02-01

    The cranked Hartree-Fock-Bogoliubov method, applied in a previous study to SD bands of even Hg and Pb isotopes, is extended by including pairing correlations described by a zero-range density-dependent interaction. This more realistic description of the pairing channel modifies the balance between the neutron and proton pairing energies and introduces an orbital variation of the pairing gaps. This results in a retarded alignment, significantly improving the agreement with data in both the A = 150 and 190 mass regions. The behavior expected for SD bands in odd- N or odd- Z nuclei is discussed on the basis of the quasiparticle routhians calculated for the even-even isotopes.

  3. Dependence of the rate of LiF ion pairing on the description of molecular interaction

    Energy Technology Data Exchange (ETDEWEB)

    Pluharova, Eva; Baer, Marcel D.; Schenter, Gregory K.; Jungwirth, Pavel; Mundy, Christopher J.

    2016-03-03

    We present an analysis of the dynamics of ion-pairing of Lithium Fluoride (LiF) in aqueous solvent using both detailed molecular simulation as well as reduced models within a Gener- alized Langevin Equation (GLE) framework. We explored the sensitivity of the ion-pairing phenomena to the details of descriptions of molecular interaction, comparing two empirical potentials to explicit quantum based density functional theory. We find quantitative differences in the potentials of mean force for ion-pairing as well as time dependent frictions that lead to variations in the rate constant and reactive flux correlation functions. These details reflect differences in solvent response to ion-pairing between different representations of molecular interaction and influence anharmonicity of the dynamic response. We find that the short time anharmonic response is recovered with a GLE parameterization. Recovery of the details of long time response may require extensions to the reduced model. We show that the utility of using a reduced model leads to a straight forward application of variational transition state the- ory concepts to the condensed phase system. The significance of this is reflected in the analysis of committor distributions and the variation of planar hypersurfaces, leading to an improved understanding of factors that determine the rate of LiF ion-pairing. CJM and GKS are supported by the U.S. Department of Energy‘s (DOE) Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. Pacific Northwest Na- tional Laboratory (PNNL) is operated for the Department of Energy by Battelle. MDB is grateful for the support of Laboratory Directed Research and Development funding under the auspices of PNNL’s Laboratory Initiative Materials Synthesis and Simulation across Scales (MS3). Additional computing resources were generously allocated by PNNL’s Institutional Computing program. EP acknowledges support from PNNL’s Alternate Sponsored

  4. Time-dep endent Calculations for Two-proton Decay Width with Schematic Density-dependent Contact Pairing Interaction

    Institute of Scientific and Technical Information of China (English)

    Oishi Tomohiro

    2016-01-01

    We calculate the two-proton decay width of the 6 Be nucleus employing the schematic density-dependent contact potential for the proton-proton pairing interaction. The decay width is calculated with a time-dependent method, in which the two-proton emission is described as a time-evolution of a three-body meta-stable state. Model-dependence of the two-proton decay width has been shown by comparing the results obtained with the two different pairing models, schematic density-dependent contact and Minnesota interactions, which have zero and finite ranges, respectively.

  5. Microscopic calculation and LDA of the spatial dependence of the pairing field with bare and induced interactions

    CERN Document Server

    Pastore, A; Broglia, R A; Vigezzi, E

    2008-01-01

    The bare nucleon-nucleon interaction is essential for the production of pair correlations in nuclei, but an important contribution also arises from the induced interaction resulting from the exchange of collective vibrations between nucleons moving in time reversal states close to the Fermi energy. The pairing field resulting from the summed interaction is strongly peaked at the nuclear surface. It is possible to reproduce the detailed spatial dependence of this field using a Local Density Approximation (LDA) and a contact interaction, with parameters which are quite different from those commonly used in more phenomenological approaches.

  6. Temperature Dependence of the Stability of Ion Pair Interactions, and its Implications on the Thermostability of Proteins from Thermophiles

    Indian Academy of Sciences (India)

    SWETHA BIKKINA; AGASTYA P BHATI; SILADITYA PADHI; U DEVA PRIYAKUMAR

    2017-03-01

    An understanding of the determinants of the thermal stability of thermostable proteins is expected to enable design of enzymes that can be employed in industrial biocatalytic processes carried out at high temperatures. A major factor that has been proposed to stabilize thermostable proteins is the high occurrenceof salt bridges. The current study employs free energy calculations to elucidate the thermodynamics of the formation of salt bridge interactions and the temperature dependence, using acetate and methylguanidium ionsas model systems. Three different orientations of the methylguanidinium approaching the carboxylate grouphave been considered for obtaining the free energy profiles. The association of the two ions becomes more favorable with an increase in temperature. The desolvation penalty corresponding to the association of the ionpair is the lowest at high temperatures. The occurrence of bridging water molecules between the ions ensures that the ions are not fully desolvated, and this could provide an explanation for the existence of internal watermolecules in thermostable proteins reported recently. The findings provide a detailed picture of the interactions that make ion pair association at high temperatures a favorable process, and reaffirm the importance of saltbridges in the design of thermostable proteins.

  7. Kramers Pairs in configuration interaction

    DEFF Research Database (Denmark)

    Avery, John Scales; Avery, James Emil

    2003-01-01

    The theory of symmetry-preserving Kramers pair creation operators is reviewed and formulas for applying these operators to configuration interaction calculations are derived. A new and more general type of symmetry-preserving pair creation operator is proposed and shown to commute with the total...

  8. Dependence of Two-proton Radioactivity on Nuclear Pairing Models

    CERN Document Server

    Oishi, Tomohiro; Pastore, Alessandro

    2016-01-01

    The sensitivity of two-proton emitting decays to the nuclear pairing correlation is discussed within a time-dependent three-body model. We focus on the $^6$Be nucleus assuming $\\alpha + p + p$ configuration, and its decay process is described as a time-evolution of the three-body resonance state. A noticeable model-dependence of two-proton decay width is found by utilizing schematic density-dependent contact (SDDC) and the finite-range Minnesota pairing models. The model-dependence with the SDDC pairing interaction can be understood from the density distribution of the resonance state, which reflects a synergy of participating interactions. Our result suggests that two-proton decay width may be a suitable reference quantity to sophisticate the nuclear pairing model beyond the nucleon driplines.

  9. Externally definable sets and dependent pairs

    CERN Document Server

    Chernikov, Artem

    2010-01-01

    We prove that externally definable sets in first order NIP theories have honest definitions, giving a new proof of Shelah's expansion theorem. Also we discuss a weak notion of stable embeddedness true in this context. Those results are then used to prove a general theorem on dependent pairs, which in particular answers a question of Baldwin and Benedikt on naming an indiscernible sequence.

  10. Dip-Hump Temperature Dependence of Specific Heat and Effects of Pairing Fluctuations in the Weak-Coupling Side of a P-Wave Interacting Fermi Gas

    Science.gov (United States)

    Inotani, Daisuke; van Wyk, Pieter; Ohashi, Yoji

    2016-12-01

    We investigate the specific heat CV at constant volume in the normal state of a p-wave interacting Fermi gas. Including p-wave pairing fluctuations within the strong-coupling theory developed by Nozières and Schmitt-Rink, we show that, in the weak-coupling side, CV exhibits a dip-hump behavior as a function of the temperature. While the dip is associated with the pseudogap phenomenon near Tc, the hump structure is found to come from the suppression of Fermi quasiparticle scattering into a p-wave molecular state in the Fermi degenerate regime. Since the latter phenomenon does not occur in the ordinary s-wave interacting Fermi gas, it may be viewed as a characteristic phenomenon associated with a p-wave pairing interaction.

  11. Pairing properties of realistic effective interactions

    Directory of Open Access Journals (Sweden)

    Gargano A.

    2016-01-01

    Full Text Available We investigate the pairing properties of an effective shell-model interaction defined within a model space outside 132Sn and derived by means of perturbation theory from the CD-Bonn free nucleon-nucleon potential. It turns out that the neutron pairing component of the effective interaction is significantly weaker than the proton one, which accounts for the large pairing gap difference observed in the two-valence identical particle nuclei 134Sn and 134Te. The role of the contribution arising from one particle-one hole excitations in determining the pairing force is discussed and its microscopic structure is also analyzed in terms of the multipole decomposition.

  12. Observer dependence of bubble nucleation and Schwinger pair production

    CERN Document Server

    Garriga, Jaume; Sasaki, Misao; Soda, Jiro; Vilenkin, Alexander

    2012-01-01

    Pair production in a constant electric field is closely analogous to bubble nucleation in a false vacuum. The classical trajectories of the pairs are Lorentz invariant, but it appears that this invariance should be broken by the nucleation process. Here, we use a model detector, consisting of other particles interacting with the pairs, to investigate how pair production is seen by different Lorentzian observers. We focus on the idealized situation where a constant external electric field is present for an infinitely long time, and we consider the in-vacuum state for a charged scalar field that describes the nucleating pairs. The in-vacuum is defined in terms of modes which are positive frequency in the remote past. Even though the construction uses a particular reference frame and a gauge where the vector potential is time dependent, we show explicitly that the resulting quantum state is Lorentz invariant. We then introduce a "detector" particle which interacts with the nucleated pairs, and show that all Lore...

  13. Paired Comparisons-based Interactive Differential Evolution

    CERN Document Server

    Takagi, Hideyuki

    2009-01-01

    We propose Interactive Differential Evolution (IDE) based on paired comparisons for reducing user fatigue and evaluate its convergence speed in comparison with Interactive Genetic Algorithms (IGA) and tournament IGA. User interface and convergence performance are two big keys for reducing Interactive Evolutionary Computation (IEC) user fatigue. Unlike IGA and conventional IDE, users of the proposed IDE and tournament IGA do not need to compare whole individuals each other but compare pairs of individuals, which largely decreases user fatigue. In this paper, we design a pseudo-IEC user and evaluate another factor, IEC convergence performance, using IEC simulators and show that our proposed IDE converges significantly faster than IGA and tournament IGA, i.e. our proposed one is superior to others from both user interface and convergence performance points of view.

  14. Interactive Visualization of Dependencies

    Science.gov (United States)

    Moreno, Camilo Arango; Bischof, Walter F.; Hoover, H. James

    2012-01-01

    We present an interactive tool for browsing course requisites as a case study of dependency visualization. This tool uses multiple interactive visualizations to allow the user to explore the dependencies between courses. A usability study revealed that the proposed browser provides significant advantages over traditional methods, in terms of…

  15. Interactive Visualization of Dependencies

    Science.gov (United States)

    Moreno, Camilo Arango; Bischof, Walter F.; Hoover, H. James

    2012-01-01

    We present an interactive tool for browsing course requisites as a case study of dependency visualization. This tool uses multiple interactive visualizations to allow the user to explore the dependencies between courses. A usability study revealed that the proposed browser provides significant advantages over traditional methods, in terms of…

  16. Aspects, Dependencies, and Interactions

    NARCIS (Netherlands)

    Chitchyan, R; Fabry, J.; Bergmans, Lodewijk; Südholt, M.; Consel, C.

    2007-01-01

    For Aspect-Oriented Software Development (AOSD) the topic of Aspects, Dependencies and Interactions is of high importance across the whole range of development activities – from requirements engineering through to language design. Aspect interactions must be adequately addressed all across the softw

  17. Kπ=1+ pairing interaction and moments of inertia of superdeformed rotational bands in atomic nuclei

    Science.gov (United States)

    Hamamoto, I.; Nazarewicz, W.

    1994-05-01

    The effect of the pairing interaction coming from the rotationally induced Kπ=1+ pair-density on the nuclear moments of inertia is studied. It is pointed out that, contrary to the situation at normal deformations, the inclusion of the Kπ=1+ pairing may appreciably modify the frequency dependence of the moments of inertia at superdeformed shapes.

  18. The interacting pair MKN 305/306

    Science.gov (United States)

    Dietrich, Matthias

    1990-11-01

    Direct images and spectra at different slit positions of the interacting system Mkn 305/306 are discussed. Both galaxies show starburst properties due to tidal interaction. The morphology and velocity structure of Mkn 306 reveals the strongest warp of a stellar disk so far known. The galaxies Mkn 305 and Mkn 306 form a double system with 30 arcsec separation and having a common envelope at mB greater than or equal to 24.5. Furthermore a small tidal tail west of Mkn 305A, an isophote twist of Mkn 305 and the near identical redshifts of the two galaxies prove that this is a physical pair. Mkn 306 itself was classified as a double nucleus galaxy (Petrosyan et al., 1978). The optical morphology of Mkn 306 has the form of an integral sign which is similar to the radio morphology of strongly warped galaxies (Bottema et al., 1987). But in the optical the warp of the stellar component is normally far weaker than in the radio for the HI-gas. Therefore the authors investigate whether the double nucleus structure of Mkn 306 is real or an artifact due to an extreme warp in the optical. The origin for the warp phenomenon is not clear yet. Direct images of the galaxy system were taken with the Calar Alto 2.2m telescope in the B-band and at La Silla in the r-band using the 2.2m telescope; low dispersion spectra (240 A/mm) as well as high dispersion spectra (56 A/mm) for studying the velocity field were taken with the Calar Alto 3.5m telescope at different position angles. Also a spectrum of Mkn 305 was taken at Calar Alto with the 3.5m telescope covering the whole spectral range (240 A/mm).

  19. Pair supersolid with atom-pair hopping on the state-dependent triangular lattice

    Science.gov (United States)

    Zhang, Wanzhou; Yin, Ruoxi; Wang, Yancheng

    2013-11-01

    degeneracy of pair solids in classical limits. We describe the experimental realization of pair tunneling on state dependent lattice.

  20. Probing the pairing interaction through two-neutron transfer reactions

    Directory of Open Access Journals (Sweden)

    Margueron J.

    2012-12-01

    Full Text Available The treatment of the pairing interaction in mean-field-based models is addressed. In particular, the possibility to use pair transfers as A tool to better constrain this interaction is discussed. First, pairing inter-actions with various density dependencies (surface/volume mixing are used in the microscopic Hartree-Fock-Bogoliubov + quasiparticle random-phase approximation model to generate the form factors to be used in reaction calculations. Cross sections for (p,t two-neutron transfer reactions are calculated in the one-step zero-range distorted-wave Born approximation for some Tin isotopes and for incident proton energies from 15 to 35 MeV. Three different surface/volume mixings of A zero-range density-dependent pairing interaction are employed in the microscopic calculations and the sensitivity of the cross sections to the different mixings is analyzed. Differences among the three different theoretical predictions are found espacially for the nucleus 136Sn and they are more important at the incident proton energy of 15 MeV. We thus indicate (p,t two-neutron transfer reactions with very neutron-rich Sn isotopes and at proton energies around 15 MeV as good experimental cases where the surface/volume mixing of the pairing interaction may be probed. In the second part of the manuscript, ground-state to ground-state transitions are investigated. Approximations made to estimate two-nucleon transfer probabilities in ground-state to ground-state transitions and the physical interpretation of these probabilities are discussed. Probabilities are often calculated by approximating both ground states of the initial nucleus A and of the final nucleus A±2 by the same quasiparticle vacuum. We analyze two improvements of this approach. First, the effect of using two different ground states with average numbers of particles A and A±2 is quantified. Second, by using projection techniques, the role of particle number restoration is analyzed. Our analysis

  1. Age-dependent trajectories differ between within-pair and extra-pair paternity success.

    Science.gov (United States)

    Hsu, Y-H; Simons, M J P; Schroeder, J; Girndt, A; Winney, I S; Burke, T; Nakagawa, S

    2017-02-24

    Reproductive success is associated with age in many taxa, increasing in early life followed by reproductive senescence. In socially monogamous but genetically polygamous species, this generates the interesting possibility of differential trajectories of within-pair and extra-pair siring success with age in males. We investigate these relationships simultaneously using within-individual analyses with 13 years of data from an insular house sparrow (Passer domesticus) population. As expected, we found that both within- and extra-pair paternity success increased with age, followed by a senescence-like decline. However, the age trajectories of within- and extra-pair paternity successes differed significantly, with the extra-pair paternity success increasing faster, although not significantly, in early life, and showing a delayed decline by 1.5 years on average later in life compared to within-pair paternity success. These different trajectories indicate that the two alternative mating tactics should have age-dependent pay-offs. Males may partition their reproductive effort between within- and extra-pair matings depending on their current age to reap the maximal combined benefit from both strategies. The interplay between these mating strategies and age-specific mortality may explain the variation in rates of extra-pair paternity observed within and between species.

  2. Identifying interacting pairs of sites in infinite range Ising models

    CERN Document Server

    Galves, Antonio; Takahashi, Daniel Yasumasa

    2010-01-01

    We consider Ising models (pairwise interaction Gibbs probability measures) in $\\Z^d$ with an infinite range potential. We address the problem of identifying pairs of interacting sites from a finite sample of independent realisations of the Ising model. The sample contains only the values assigned by the Ising model to a finite set of sites in $\\Z^d$. Our main result is an upperbound for the probability with our estimator to misidentify the pairs of interacting sites in this finite set.

  3. General pairing interactions and pair truncation approximations for fermions in a single-j shell

    CERN Document Server

    Zhao, Y M; Ginocchio, J N; Yoshinaga, N

    2003-01-01

    We investigate Hamiltonians with attractive interactions between pairs of fermions coupled to angular momentum J. We show that pairs with spin J are reasonable building blocks for the low-lying states. For systems with only a J = Jmax pairing interaction, eigenvalues are found to be approximately integers for a large array of states, in particular for those with total angular momenta I le 2j. For I=0 eigenstates of four fermions in a single-j shell we show that there is only one non-zero eigenvalue. We address these observations using the nucleon pair approximation of the shell model and relate our results with a number of currently interesting problems.

  4. A flexible algorithm for calculating pair interactions on SIMD architectures

    CERN Document Server

    Páll, Szilárd

    2013-01-01

    Calculating interactions or correlations between pairs of particles is typically the most time-consuming task in particle simulation or correlation analysis. Straightforward implementations using a double loop over particle pairs have traditionally worked well, especially since compilers usually do a good job of unrolling the inner loop. In order to reach high performance on modern CPU and accelerator architectures, single-instruction multiple-data (SIMD) parallelization has become essential. Avoiding memory bottlenecks is also increasingly important and requires reducing the ratio of memory to arithmetic operations. Moreover, when pairs only interact within a certain cut-off distance, good SIMD utilization can only be achieved by reordering input and output data, which quickly becomes a limiting factor. Here we present an algorithm for SIMD parallelization based on grouping a fixed number of particles, e.g. 2, 4, or 8, into spatial clusters. Calculating all interactions between particles in a pair of such cl...

  5. Theoretical analysis of noncanonical base pairing interactions in RNA molecules

    Indian Academy of Sciences (India)

    Dhananjay Bhattacharyya; Siv Chand Koripella; Abhijit Mitra; Vijay Babu Rajendran; Bhabdyuti Sinha

    2007-08-01

    Noncanonical base pairs in RNA have strong structural and functional implications but are currently not considered for secondary structure predictions. We present results of comparative ab initio studies of stabilities and interaction energies for the three standard and 24 selected unusual RNA base pairs reported in the literature. Hydrogen added models of isolated base pairs, with heavy atoms frozen in their ‘away from equilibrium’ geometries, built from coordinates extracted from NDB, were geometry optimized using HF/6-31G** basis set, both before and after unfreezing the heavy atoms. Interaction energies, including BSSE and deformation energy corrections, were calculated, compared with respective single point MP2 energies, and correlated with occurrence frequencies and with types and geometries of hydrogen bonding interactions. Systems having two or more N-H…O/N hydrogen bonds had reasonable interaction energies which correlated well with respective occurrence frequencies and highlighted the possibility of some of them playing important roles in improved secondary structure prediction methods. Several of the remaining base pairs with one N-H…O/N and/or one C-H…O/N interactions respectively, had poor interaction energies and negligible occurrences. High geometry variations on optimization of some of these were suggestive of their conformational switch like characteristics.

  6. Reducing interaction in simultaneous paired stimulation with CI

    Science.gov (United States)

    Vellinga, Dirk; Briaire, Jeroen J.; Kalkman, Randy K.; Frijns, Johan H. M.

    2017-01-01

    In this study simultaneous paired stimulation of electrodes in cochlear implants is investigated by psychophysical experiments in 8 post-lingually deaf subjects (and one extra subject who only participated in part of the experiments). Simultaneous and sequential monopolar stimulation modes are used as references and are compared to channel interaction compensation, partial tripolar stimulation and a novel sequential stimulation strategy named phased array compensation. Psychophysical experiments are performed to investigate both the loudness integration during paired stimulation at the main electrodes as well as the interaction with the electrode contact located halfway between the stimulating pair. The study shows that simultaneous monopolar stimulation has more loudness integration on the main electrodes and more interaction in between the electrodes than sequential stimulation. Channel interaction compensation works to reduce the loudness integration at the main electrodes, but does not reduce the interaction in between the electrodes caused by paired stimulation. Partial tripolar stimulation uses much more current to reach the needed loudness, but shows the same interaction in between the electrodes as sequential monopolar stimulation. In phased array compensation we have used the individual impedance matrix of each subject to calculate the current needed on each electrode to exactly match the stimulation voltage along the array to that of sequential stimulation. The results show that the interaction in between the electrodes is the same as monopolar stimulation. The strategy uses less current than partial tripolar stimulation, but more than monopolar stimulation. In conclusion, the paper shows that paired stimulation is possible if the interaction is compensated. PMID:28182685

  7. Pair interaction of bilayer-coated nanoscopic particles

    Institute of Scientific and Technical Information of China (English)

    Zhang Qi-Yi

    2009-01-01

    The pair interaction between bilayer membrane-coated nanosized particles has been explored by using the self-consistent field (SCF) theory. The bilayer membranes are composed of amphiphilic polymers. For different system parameters, the pair-interaction free energies are obtained. Particular emphasis is placcd on the analysis of a sequence of structural transformations of bilayers on spherical particles, which occur during their approaching processes. For different head fractions of amphiphilcs, the asymmetrical morphologies between bilayers on two particles and the inverted micellar intermediates have been found in the membrane fusion pathway. These results can benefit the fabrication of vesicles as encapsulation vectors for drug and gene delivery.

  8. Sequence dependency of canonical base pair opening in the DNA double helix.

    Science.gov (United States)

    Lindahl, Viveca; Villa, Alessandra; Hess, Berk

    2017-04-01

    The flipping-out of a DNA base from the double helical structure is a key step of many cellular processes, such as DNA replication, modification and repair. Base pair opening is the first step of base flipping and the exact mechanism is still not well understood. We investigate sequence effects on base pair opening using extensive classical molecular dynamics simulations targeting the opening of 11 different canonical base pairs in two DNA sequences. Two popular biomolecular force fields are applied. To enhance sampling and calculate free energies, we bias the simulation along a simple distance coordinate using a newly developed adaptive sampling algorithm. The simulation is guided back and forth along the coordinate, allowing for multiple opening pathways. We compare the calculated free energies with those from an NMR study and check assumptions of the model used for interpreting the NMR data. Our results further show that the neighboring sequence is an important factor for the opening free energy, but also indicates that other sequence effects may play a role. All base pairs are observed to have a propensity for opening toward the major groove. The preferred opening base is cytosine for GC base pairs, while for AT there is sequence dependent competition between the two bases. For AT opening, we identify two non-canonical base pair interactions contributing to a local minimum in the free energy profile. For both AT and CG we observe long-lived interactions with water and with sodium ions at specific sites on the open base pair.

  9. Molecular electrostatics for probing lone pairinteractions.

    Science.gov (United States)

    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 pairinteraction 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.

  10. A context dependent pair hidden Markov model for statistical alignment

    CERN Document Server

    Arribas-Gil, Ana

    2011-01-01

    This article proposes a novel approach to statistical alignment of nucleotide sequences by introducing a context dependent structure on the substitution process in the underlying evolutionary model. We propose to estimate alignments and context dependent mutation rates relying on the observation of two homologous sequences. The procedure is based on a generalized pair-hidden Markov structure, where conditional on the alignment path, the nucleotide sequences follow a Markov distribution. We use a stochastic approximation expectation maximization (saem) algorithm to give accurate estimators of parameters and alignments. We provide results both on simulated data and vertebrate genomes, which are known to have a high mutation rate from CG dinucleotide. In particular, we establish that the method improves the accuracy of the alignment of a human pseudogene and its functional gene.

  11. Interactional Competence across Proficiency Levels: How Do Learners Manage Interaction in Paired Speaking Tests?

    Science.gov (United States)

    Galaczi, Evelina D.

    2014-01-01

    Paired speaking tasks are now commonly used in both pedagogic and assessment contexts, as they elicit a wide range of interactional skills. The current study aims to offer an investigation of the interaction co-constructed by learners at different proficiency levels who are engaged in a paired speaking test, and to provide insights into the…

  12. Mining minimal motif pair sets maximally covering interactions in a protein-protein interaction network

    NARCIS (Netherlands)

    Boyen, P.; Neven, F.; Valentim, F.L.; Dijk, van A.D.J.

    2013-01-01

    Correlated motif covering (CMC) is the problem of finding a set of motif pairs, i.e., pairs of patterns, in the sequences of proteins from a protein-protein interaction network (PPI-network) that describe the interactions in the network as concisely as possible. In other words, a perfect solution fo

  13. The interacting galaxy pair KPG 390: H$\\alpha$ kinematics

    CERN Document Server

    Repetto, P; Gabbasov, R; Fuentes-Carrera, I

    2010-01-01

    In this work we present scanning Fabry-Perot H$\\alpha$ observations of the isolated interacting galaxy pair NGC 5278/79 obtained with the PUMA Fabry-Perot interferometer. We derived velocity fields and rotation curves for both galaxies. For NGC 5278 we also obtained the residual velocity map to investigate the non-circular motions, and estimated its mass by fitting the rotation curve with a disk+halo components. We test three different types of halo (pseudo-isothermal, Hernquist and Navarro Frenk White) and obtain satisfactory fits to the rotation curve for all profiles. The amount of dark matter required by pseudo-isothermal profile is about ten times smaller than, that for the other two halo distributions. Finally, our kinematical results together with the analysis of dust lanes distribution and of surface brightness profiles along the minor axis allowed us to determine univocally that both components of the interacting pair are trailing spirals.

  14. Nuclear inertia from the time dependent pairing equations

    Science.gov (United States)

    Mirea, M.

    2016-10-01

    In a dynamical system, the momenta of inertia and the effective masses are not adiabatic quantities, but are dynamical ones that depend on the dissipated energy accumulated during motion. However, these parameters are calculated for adiabatic nuclear systems, leaving no room for dissipated energy. In this work, a formalism is elaborated in order to derive simultaneously the nuclear momenta of inertia and the effective masses by taking into account the appearance of dissipated energy for large amplitude motion of the nuclear system. The expressions that define the inertia are obtained from the variational principle. The same principle manages the time dependent pairing equations, offering estimations of the averaged dissipation energy for large amplitude motions. The model is applied to 232Th fission. The fission barrier was calculated along the least action trajectory. The dissipation energy, effective mass and moment of inertia are determined for different values of the collective velocities. The dissipation increases with the internuclear velocity in binary disintegration processes and modifies the effective mass parameters. We observed that the inertia decreases as long as the collective velocity increases to some moderate values and begins to grow for larger collective velocities. So, a dependence between the cranking mass parameters and the intrinsic excitation energy is evidenced. In order to investigate the overall effect, the half-lives are predicted for adiabatic and dynamics simulations.

  15. Muon pair production in heavy ion interactions at 200 GeV per nucleon

    Energy Technology Data Exchange (ETDEWEB)

    Drapier, O. (Inst. de Physique Nucleaire de Lyon, IN2P3-CNRS et Univ. Claude Bernard, 69 - Villeurbanne (France)); Abreu, M.C.; Baglin, C.; Baldisseri, A.; Baldit, A.; Bedjidian, M.; Bordalo, P.; Bussiere, A.; Busson, P.; Cases, R.; Castor, J.; Chambon, T.; Charlot, C.; Chaurand, B.; Contardo, D.; Descroix, E.; Devaux, A.; Drapier, O.; Fargeix, J.; Felgeyrolles, X.; Ferreira, R.; Force, P.; Fredj, L.; Gago, J.M.; Gerschel, C.; Gorodetzky, P.; Grosdidier, B.; Grossiord, J.Y.; Guichard, A.; Guillaud, J.P.; Haroutunian, R.; Jouan, D.; Kluberg, L.; Kossakowski, R.; Landaud, G.; Liaud, P.; Lourenco, C.; Papillon, S.; Peralta, L.; Pizzi, J.R.; Racca, C.; Ramos, S.; Romana, A.; Salmeron, R.A.; Sonderegger, P.; Staley, F.; Silva, S.; Tarrago, X.; Varela, J.; Vazeille, F.; NA38 Collaboration

    1992-07-20

    The NA38 experiment measures muon pair production in 200 GeV per nucleon nucleus-nucleus interactions at the CERN SPS. Dimuon production is studied as a function of the neutral transverse energy produced in the collisions, which reflects the energy density reached in the interactions. The J/[psi] yield relative to muon pairs in the mass continuum decreases with increasing energy density. The atomic number dependence of the cross sections has been studied using the parametrization [sigma][proportional to] (A[sub proj.]A[sub targ.])[sup [alpha

  16. Pairing in few-fermion systems with attractive interactions.

    Science.gov (United States)

    Zürn, G; Wenz, A N; Murmann, S; Bergschneider, A; Lompe, T; Jochim, S

    2013-10-25

    We study quasi-one-dimensional few-particle systems consisting of one to six ultracold fermionic atoms in two different spin states with attractive interactions. We probe the system by deforming the trapping potential and by observing the tunneling of particles out of the trap. For even particle numbers, we observe a tunneling behavior that deviates from uncorrelated single-particle tunneling indicating the existence of pair correlations in the system. From the tunneling time scales, we infer the differences in interaction energies of systems with different number of particles, which show a strong odd-even effect, similar to the one observed for neutron separation experiments in nuclei.

  17. Evolutionary games with coordination and self-dependent interactions

    Science.gov (United States)

    Király, Balázs; Szabó, György

    2017-01-01

    Multistrategy evolutionary games are studied on a square lattice when the pair interactions are composed of coordinations between strategy pairs and an additional term with self-dependent payoff. We describe a method for determining the strength of each elementary coordination component in n -strategy potential games. Using analytical and numerical methods, the presence and absence of Ising-type order-disorder phase transitions are studied when a single pair coordination is extended by some types of self-dependent elementary games. We also introduce noise-dependent three-strategy equivalents of the n -strategy elementary coordination games.

  18. Controlling Statistical Properties of a Cooper Pair Box Interacting with a Nanomechanical Resonator

    CERN Document Server

    Valverde, C; Baseia, a B

    2011-01-01

    We investigate the quantum entropy, its power spectrum, and the excitation inversion of a Cooper pair box interacting with a nanomechanical resonator, the first initially prepared in its excited state, the second prepared in a "cat"-state. The method uses the Jaynes-Cummings model with damping, with different decay rates of the Cooper pair box and distinct detuning conditions, including time dependent detunings. Concerning the entropy, it is found that the time dependent detuning turns the entanglement more stable in comparison with previous results in literature. With respect to the Cooper pair box excitation inversion, while the presence of detuning destroys the its collapses and revivals, it is shown that with a convenient time dependent detuning one recovers such events in a nice way.

  19. Examining the dynamic interactions on volatilities of paired stock markets

    Science.gov (United States)

    Lee, Jun Shean; Sek, Siok Kun

    2015-02-01

    We conduct empirical analyses to investigate the interaction between volatilities of paired stock markets. The main objective of this study is to reveal possibility of spillover effects among stock markets which can determine the performances of stock returns and trade volumes of stocks. In particular, we seek to investigate if there exist two-way causal relationships on the volatilities in two stock markets in two groups of countries, i.e. between emerging markets of ASEAN-5 and between emerging and advanced countries. Our study is focused in Malaysia stock market and the paired relationship with its neighbouring countries (ASEAN5) and advanced countries (Japan and U.S.) respectively. The multivariate GARCH(1,1) model is applied in studying the interactions on the volatilities of paired stock markets. The results are compared between neighbouring countries and with that of advanced countries. The results are expected to reveal linkages between volatilities of stock markets and the dynamic relationships across markets. The results provide useful information in studying the performances of stock markets and predicting the stock movements by incorporating the external impacts from foreign stock markets.

  20. Sequence dependency of canonical base pair opening in the DNA double helix.

    Directory of Open Access Journals (Sweden)

    Viveca Lindahl

    2017-04-01

    Full Text Available The flipping-out of a DNA base from the double helical structure is a key step of many cellular processes, such as DNA replication, modification and repair. Base pair opening is the first step of base flipping and the exact mechanism is still not well understood. We investigate sequence effects on base pair opening using extensive classical molecular dynamics simulations targeting the opening of 11 different canonical base pairs in two DNA sequences. Two popular biomolecular force fields are applied. To enhance sampling and calculate free energies, we bias the simulation along a simple distance coordinate using a newly developed adaptive sampling algorithm. The simulation is guided back and forth along the coordinate, allowing for multiple opening pathways. We compare the calculated free energies with those from an NMR study and check assumptions of the model used for interpreting the NMR data. Our results further show that the neighboring sequence is an important factor for the opening free energy, but also indicates that other sequence effects may play a role. All base pairs are observed to have a propensity for opening toward the major groove. The preferred opening base is cytosine for GC base pairs, while for AT there is sequence dependent competition between the two bases. For AT opening, we identify two non-canonical base pair interactions contributing to a local minimum in the free energy profile. For both AT and CG we observe long-lived interactions with water and with sodium ions at specific sites on the open base pair.

  1. Interaction between graphene and metamaterials: split rings vs. wire pairs

    Energy Technology Data Exchange (ETDEWEB)

    Zou, Yanhong; Tassin, Philippe; Koschny, Thomas; Soukoulis, Costas

    2012-05-14

    We have recently shown that graphene is unsuitable to replace metals in the current-carrying elements of metamaterials. At the other hand, experiments have demonstrated that a layer of graphene can modify the optical response of a metal-based metamaterial. Here we study this electromagnetic interaction between metamaterials and graphene. We show that the weak optical response of graphene can be modified dramatically by coupling to the strong resonant fields in metallic structures. A crucial element determining the interaction strength is the orientation of the resonant fields. If the resonant electric field is predominantly parallel to the graphene sheet (e.g., in a complementary split-ring metamaterial), the metamaterial’s resonance can be strongly damped. If the resonant field is predominantly perpendicular to the graphene sheet (e.g., in a wire-pair metamaterial), no significant interaction exists.

  2. Interaction between graphene and metamaterials: split rings vs. wire pairs.

    Science.gov (United States)

    Zou, Yanhong; Tassin, Philippe; Koschny, Thomas; Soukoulis, Costas M

    2012-05-21

    We have recently shown that graphene is unsuitable to replace metals in the current-carrying elements of metamaterials. At the other hand, experiments have demonstrated that a layer of graphene can modify the optical response of a metal-based metamaterial. Here we study this electromagnetic interaction between metamaterials and graphene. We show that the weak optical response of graphene can be modified dramatically by coupling to the strong resonant fields in metallic structures. A crucial element determining the interaction strength is the orientation of the resonant fields. If the resonant electric field is predominantly parallel to the graphene sheet (e.g., in a complementary split-ring metamaterial), the metamaterial's resonance can be strongly damped. If the resonant field is predominantly perpendicular to the graphene sheet (e.g., in a wire-pair metamaterial), no significant interaction exists.

  3. Strong Interactions of Photon Pairs in Cavity QED

    Science.gov (United States)

    Kimble, H. J.

    2008-05-01

    The charge and spin degrees of freedom of massive particles have relatively large long-range interactions, which enable nonlinear coupling between pairs of atoms, ions, electrons, and diverse quasi-particles. By contrast, photons have vanishingly small cross-sections for direct coupling. Instead, photon interactions must be mediated by a material system. Even then,typical materials produce photon-photon couplings that are orders of magnitude too small for nontrivial dynamics with individual photon pairs. The leading exception to this state of affairs is cavity quantum electrodynamics (cQED), where strong interactions between light and matter at the single-photon level have enabled a wide set of scientific advances [1]. My presentation will describe two experiments in the Caltech Quantum Optics Group where strong interactions of photon pairs have been observed. The work in Ref. [2] provided the initial realization of photon blockade for an atomic system by using a Fabry-Perot cavity containing one atom strongly coupled to the cavity field. The underlying blockade mechanism was the quantum anharmonicity of the ladder of energy levels for the composite atom-cavity system. Beyond this structural effect, a new % dynamical mechanism was identified in Ref. [3] for which photon transport is regulated by the conditional state of one intracavity atom, leading to an efficient mechanism that is insensitive to many experimental imperfections and which achieves high efficiency for single-photon transport. The experiment utilized the interaction of an atom with the fields of a microtoroidal resonator [4]. Regulation was achieved by way of an interference effect involving the directly transmitted optical field, the intracavity field in the absence of the atom, and the polarization field radiated by the atom, with the requisite nonlinearity provided by the quantum character of the emission from one atom.[1] R. Miller, T. E. Northup, K. M. Birnbaum, A. Boca, A. D. Boozer, and H. J

  4. Quasiparticles in a diffusive conductor: interaction and pairing

    Energy Technology Data Exchange (ETDEWEB)

    Gueron, S

    1997-10-17

    The interaction between quasi particles is studied both theoretically and experimentally. The first part of this thesis is to provide direct evidence for this interaction by measuring the energy exchange rate between quasi particles in the case of thin metallic diffusive films. The experimental results agree qualitatively with the existing theories but are not explained quantitatively. The second part of this thesis deals with the propagation of correlation of pairs of electrons with opposite spin in a normal metal when it is placed in contact with a superconductor. This proximity effect is studied by measuring the density of states. The aim of the experiments is to specify in what sense a normal metal in proximity with a superconductor develops a superconducting character. (A.C.) 102 refs.

  5. Modeling the Initial Conditions of Interacting Galaxy Pairs Using Identikit

    CERN Document Server

    Mortazavi, S Alireza; Barnes, Joshua E

    2014-01-01

    We develop and test an automated technique to model the dynamics of interacting galaxy pairs. We use Identikit (Barnes & Hibbard 2009; Barnes 2011) as a tool for modeling and matching the morphology and kinematics of the interacting pairs of equal-mass galaxies. In order to reduce the effect of subjective human judgement, we automate the selection of phase-space regions used to match simulations to data, and we explore how selection of these regions affects the random uncertainties of parameters in the best-fit model. In this work, we used an independent set of GADGET SPH simulations as input data, to determine the systematic bias in the measured encounter parameters based on the known initial conditions of these simulations. We tested both cold gas and young stellar components in the GADGET simulations to explore the effect of choosing HI vs. H$\\alpha$ as the line of sight velocity tracer. We found that we can group the results into tests with good, fair, and poor convergence based on the distribution of...

  6. Optimized distance-dependent atom-pair-based potential DOOP for protein structure prediction.

    Science.gov (United States)

    Chae, Myong-Ho; Krull, Florian; Knapp, Ernst-Walter

    2015-05-01

    The DOcking decoy-based Optimized Potential (DOOP) energy function for protein structure prediction is based on empirical distance-dependent atom-pair interactions. To optimize the atom-pair interactions, native protein structures are decomposed into polypeptide chain segments that correspond to structural motives involving complete secondary structure elements. They constitute near native ligand-receptor systems (or just pairs). Thus, a total of 8609 ligand-receptor systems were prepared from 954 selected proteins. For each of these hypothetical ligand-receptor systems, 1000 evenly sampled docking decoys with 0-10 Å interface root-mean-square-deviation (iRMSD) were generated with a method used before for protein-protein docking. A neural network-based optimization method was applied to derive the optimized energy parameters using these decoys so that the energy function mimics the funnel-like energy landscape for the interaction between these hypothetical ligand-receptor systems. Thus, our method hierarchically models the overall funnel-like energy landscape of native protein structures. The resulting energy function was tested on several commonly used decoy sets for native protein structure recognition and compared with other statistical potentials. In combination with a torsion potential term which describes the local conformational preference, the atom-pair-based potential outperforms other reported statistical energy functions in correct ranking of native protein structures for a variety of decoy sets. This is especially the case for the most challenging ROSETTA decoy set, although it does not take into account side chain orientation-dependence explicitly. The DOOP energy function for protein structure prediction, the underlying database of protein structures with hypothetical ligand-receptor systems and their decoys are freely available at http://agknapp.chemie.fu-berlin.de/doop/.

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

    Science.gov (United States)

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

    2014-08-14

    High-pressure behavior of nitrogen trifluoride (NF3) 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 NF3 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 NF3 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 NF3 as an oxidizing and fluorinating agent in high-pressure reactions.

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

    Energy Technology Data Exchange (ETDEWEB)

    Kurzydłowski, D., E-mail: dkurzydlowski@uw.edu.pl [Centre of New Technologies, University of Warsaw, 02-097 Warsaw (Poland); Department of Biogeochemistry, Max Planck Institute for Chemistry, 55128 Mainz (Germany); Wang, H. B.; Eremets, M. I. [Department of Biogeochemistry, Max Planck Institute for Chemistry, 55128 Mainz (Germany); Troyan, I. A. [Department of Biogeochemistry, Max Planck Institute for Chemistry, 55128 Mainz (Germany); A. V. Shubnikov Institute of Crystallography, Russian Academy of Sciences, 119333 Moscow (Russian Federation)

    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.

  9. Modeling the initial conditions of interacting galaxy pairs using Identikit

    Science.gov (United States)

    Mortazavi, S. Alireza; Lotz, Jennifer M.; Barnes, Joshua E.; Snyder, Gregory F.

    2016-01-01

    We develop and test an automated technique to model the dynamics of interacting galaxy pairs. We use Identikit as a tool for modelling and matching the morphology and kinematics of the interacting pairs of equal-mass galaxies. In order to reduce the effect of subjective human judgement, we automate the selection of phase space regions used to match simulations to data, and we explore how selection of these regions affects the random uncertainties of parameters in the best-fitting model. In this work, we use an independent set of GADGET SPH simulations as input data to determine the systematic bias in the measured encounter parameters based on the known initial conditions of these simulations. We test both cold gas and young stellar components in the GADGET simulations to explore the effect of choosing H I versus H α as the line-of-sight velocity tracer. We find that we can group the results into tests with good, fair, and poor convergence based on the distribution of parameters of models close to the best-fitting model. For tests with good and fair convergence, we rule out large fractions of parameter space and recover merger stage, eccentricity, pericentric distance, viewing angle, and initial disc orientations within 3σ of the correct value. All of tests on prograde-prograde systems have either good or fair convergence. The results of tests on edge-on discs are less biased than face-on tests. Retrograde and polar systems do not converge and may require constraints from regions other than the tidal tails and bridges.

  10. 2MASS/SDSS Close Major-Merger Galaxy Pairs: Luminosity Functions and Merger Mass Dependence

    CERN Document Server

    Domingue, Donovan L; Jarrett, T H; Cheng, Y

    2009-01-01

    We select a close "major-merger candidate" galaxy pair sample in order to calculate the K_{s} luminosity function (LF) and pair fraction representative of the merger/interaction component of galaxy evolution in the local universe. The pair sample (projected separation 5 h$^{-1}$ kpc $\\leq$ r $\\leq$ 20 h$^{-1}$ kpc, $K_{s}$-band magnitude difference $\\Delta

  11. Texture segmentation via nonlinear interactions among Gabor feature pairs

    Science.gov (United States)

    Tang, Hak W.; Srinivasan, Venugopal; Ong, Sim-Heng

    1995-01-01

    Segmentation of an image based on texture can be performed by a set of N Gabor filters that uniformly covers the spatial frequency domain. The filter outputs that characterize the frequency and orientation content of the intensity distribution in the vicinity of a pixel constitute an N-element feature vector. As an alternative to the computationally intensive procedure of segmentation based on the N-element vectors generated at each pixel, we propose an algorithm for selecting a pair of filters that provides maximum discrimination between two textures constituting the object and its surroundings in an image. Images filtered by the selected filters are nonlinearity transformed to produce two feature maps. The feature maps are smoothed by an intercompetitive and intracooperative interaction process between them. These interactions have proven to be much superior to simple Gaussian filtering in reducing the effects of spatial variability of feature maps. A segmented binary image is then generated by a pixel-by-pixel comparison of the two maps. Results of experiments involving several texture combinations show that this procedure is capable of producing clean segmentation.

  12. Spatially dependent electron-positron pair creation rate

    Science.gov (United States)

    Lv, Q. Z.; Unger, J.; Li, Y. T.; Su, Q.; Grobe, R.

    2016-11-01

    The vacuum breakdown process in an inhomogeneous supercritical electric field of finite extension is examined. By probing the electron-positron pair creation zone with incoming electrons that have controlled velocities, we can address the fundamental question of where the electrons are being created from the vacuum. In contrast to what one might expect, the spatial regions of most likely pair creation are not necessarily those where the electric-field strength is largest. In fact, the creation regions are determined solely by energetic considerations and particles can therefore be created in spatial regions where the local field strength is far below the Schwinger threshold. These predictions are also supported independently by spatial probability densities obtained by extrapolation as well as by classical and quantum-mechanical analysis.

  13. Stokes phenomenon and schwinger vacuum pair production in time-dependent laser pulses.

    Science.gov (United States)

    Dumlu, Cesim K; Dunne, Gerald V

    2010-06-25

    Particle production due to external fields (electric, chromoelectric, or gravitational) requires evolving an initial state through an interaction with a time-dependent background, with the rate being computed from a Bogoliubov transformation between the in and out vacua. When the background fields have temporal profiles with substructure, a semiclassical analysis of this problem confronts the full subtlety of the Stokes phenomenon: WKB solutions are only local, while the production rate requires global information. We give a simple quantitative explanation of the recently computed [Phys. Rev. Lett. 102, 150404 (2009)10.1103/PhysRevLett.102.150404] oscillatory momentum spectrum of e^{+}e^{-} pairs produced from vacuum subjected to a time-dependent electric field with subcycle laser pulse structure. This approach also explains naturally why for spinor and scalar QED these oscillations are out of phase.

  14. Comparing Pair and Small Group Interactions on Oral Tasks

    Science.gov (United States)

    Lasito,; Storch, Neomy

    2013-01-01

    Although pair and small group activities are commonly used in second language (L2) classrooms, there are very few studies which can inform teachers about whether it is best to have students work in pairs or in small groups. In this study, conducted in a junior high school in Indonesia with learners of English as a Foreign Language (EFL), we…

  15. Comparing Pair and Small Group Interactions on Oral Tasks

    Science.gov (United States)

    Lasito,; Storch, Neomy

    2013-01-01

    Although pair and small group activities are commonly used in second language (L2) classrooms, there are very few studies which can inform teachers about whether it is best to have students work in pairs or in small groups. In this study, conducted in a junior high school in Indonesia with learners of English as a Foreign Language (EFL), we…

  16. Effects on Galaxy Evolution: Pair Interactions versus Environment

    CERN Document Server

    Tonnesen, Stephanie

    2011-01-01

    In a hierarchical universe, mergers may be an important mechanism not only in increasing the mass of galaxies but also in driving the colour and morphological evolution of galaxies. We use a large sample of ~1000 simulated galaxies of stellar mass greater than 10^{9.6} solar masses (for ~4800 observations at multiple redshifts) from a high-resolution (0.46 kpc/h) cosmological simulation to determine under what circumstances being a member of a pair influences galaxy properties at z <= 0.2. We identify gravitationally bound pairs, and find a relative fraction of blue-blue (wet), red-red (dry), and blue-red (mixed) pairs that agrees with observations (Lin et al. 2010). All pairs tend to avoid the extreme environments of clusters and void centres. While pairs in groups can include galaxies that are both blue, both red, or one of each colour, in the field it is extraordinarily rare for pair galaxies to both be red. We find that, while physically bound pairs closer than 250 kpc/h tend to be bluer than the galax...

  17. Orientation-dependent backbone-only residue pair scoring functions for fixed backbone protein design

    Directory of Open Access Journals (Sweden)

    Bordner Andrew J

    2010-04-01

    Full Text Available Abstract Background Empirical scoring functions have proven useful in protein structure modeling. Most such scoring functions depend on protein side chain conformations. However, backbone-only scoring functions do not require computationally intensive structure optimization and so are well suited to protein design, which requires fast score evaluation. Furthermore, scoring functions that account for the distinctive relative position and orientation preferences of residue pairs are expected to be more accurate than those that depend only on the separation distance. Results Residue pair scoring functions for fixed backbone protein design were derived using only backbone geometry. Unlike previous studies that used spherical harmonics to fit 2D angular distributions, Gaussian Mixture Models were used to fit the full 3D (position only and 6D (position and orientation distributions of residue pairs. The performance of the 1D (residue separation only, 3D, and 6D scoring functions were compared by their ability to identify correct threading solutions for a non-redundant benchmark set of protein backbone structures. The threading accuracy was found to steadily increase with increasing dimension, with the 6D scoring function achieving the highest accuracy. Furthermore, the 3D and 6D scoring functions were shown to outperform side chain-dependent empirical potentials from three other studies. Next, two computational methods that take advantage of the speed and pairwise form of these new backbone-only scoring functions were investigated. The first is a procedure that exploits available sequence data by averaging scores over threading solutions for homologs. This was evaluated by applying it to the challenging problem of identifying interacting transmembrane alpha-helices and found to further improve prediction accuracy. The second is a protein design method for determining the optimal sequence for a backbone structure by applying Belief Propagation

  18. Extremely strong bipolar optical interactions in paired graphene nanoribbons.

    Science.gov (United States)

    Lu, Wanli; Chen, Huajin; Liu, Shiyang; Zi, Jian; Lin, Zhifang

    2016-03-28

    Graphene is an excellent multi-functional platform for electrons, photons, and phonons due to exceptional electronic, photonic, and thermal properties. When combining its extraordinary mechanical characteristics with optical properties, graphene-based nanostructures can serve as an appealing platform for optomechanical applications at the nanoscale. Here, we demonstrate, using full-wave simulations, the emergence of extremely strong bipolar optical forces, or, optical binding and anti-binding, between a pair of coupled graphene nanoribbons, due to the remarkable confinement and enhancement of optical fields arising from the large effective mode indices. In particular, the binding and anti-binding forces, which are about two orders of magnitude stronger than that in metamaterials and high-Q resonators, can be tailored by selective excitation of either the even or the odd optical modes, achievable by tuning the relative phase of the lightwaves propagating along the two ribbons. Based on the coupled mode theory, we derive analytical formulae for the bipolar optical forces, which agree well with the numerical results. The attractive optical binding force F(y)(b) and the repulsive anti-binding force F(y)(a) exhibit a remarkably different dependence on the gap distance g between the nanoribbons and the Fermi energy E(F), in the forms of F(y)(b) ∝ 1/√(g³E(F)) and F(y)(a) ∝ 1/E(F)(2). With E(F) dynamically tunable by bias voltage, the bipolar forces may provide a flexible handle for active control of the nanoscale optomechanical effects, and also, might be significant for optoelectronic and optothermal applications as well.

  19. Pairing interaction and two-nucleon transfer reactions

    CERN Document Server

    Potel, Gregory; Barranco, Francisco; Vigezzi, Enrico; Broglia, Ricardo A

    2014-01-01

    Making use of the fact that the collective modes associated with the spontaneous (static and dynamic) violation of gauge invariance in atomic nuclei (pairing rotations and pairing vibrations) are amenable to a simple, quite accurate nuclear structure description (BCS and QRPA respectively), it is possible to quantitatively test the reaction mechanism which is at the basis of two-nucleon transfer reactions, specific probe of pairing in nuclei. With the help of the static and dynamic mean field spectroscopic amplitudes, taking into account successive and simultaneous transfer channels properly corrected because of non-orthogonality effects, as well as describing the associated elastic channels in terms of experimentally determined optical potentials, one obtains absolute, two-particle transfer differential cross sections which provide an overall account of the data within experimental errors. One of the first results connected with such quantitative studies of pairing correlations in nuclei is the observation o...

  20. Static Dependency Pair Method based on Strong Computability for Higher-Order Rewrite Systems

    CERN Document Server

    Kusakari, Keiichirou; Sakai, Masahiko; Blanqui, Frédéric

    2011-01-01

    Higher-order rewrite systems (HRSs) and simply-typed term rewriting systems (STRSs) are computational models of functional programs. We recently proposed an extremely powerful method, the static dependency pair method, which is based on the notion of strong computability, in order to prove termination in STRSs. In this paper, we extend the method to HRSs. Since HRSs include \\lambda-abstraction but STRSs do not, we restructure the static dependency pair method to allow \\lambda-abstraction, and show that the static dependency pair method also works well on HRSs without new restrictions.

  1. Galaxy pairs in cosmological simulations: effects of interactions on colours and chemical abundances

    CERN Document Server

    Perez, M J; Lambas, D G; Scannapieco, C; Tissera, P B; Lambas, Diego G.; Rossi, Maria E. De; Scannapieco, Cecilia; Tissera, Patricia B.

    2006-01-01

    We perform an statistical analysis of galaxies in pairs in a Lambda-CDM scenario by using the chemical GADGET-2 of Scannapieco et al. (2005) in order to study the effects of galaxy interactions on colours and metallicities. We find that galaxy-galaxy interactions can produce a bimodal colour distribution with galaxies with significant recent star formation activity contributing mainly to blue colours. In the simulations, the colours and the fractions of recently formed stars of galaxies in pairs depend on environment more strongly than those of galaxies without a close companion, suggesting that interactions play an important role in galaxy evolution. If the metallicity of the stellar populations is used as the chemical indicator, we find that the simulated galaxies determine luminosity-metallicity and stellar mass-metallicity relations which do not depend on the presence of a close companion. However, in the case of the luminosity-metallicity relation, at a given level of enrichment, we detect a systematic d...

  2. Combinatory microarray and SuperSAGE analyses identify pairing-dependently transcribed genes in Schistosoma mansoni males, including follistatin.

    Directory of Open Access Journals (Sweden)

    Silke Leutner

    2013-11-01

    Full Text Available BACKGROUND: Schistosomiasis is a disease of world-wide importance and is caused by parasitic flatworms of the genus Schistosoma. These parasites exhibit a unique reproduction biology as the female's sexual maturation depends on a constant pairing-contact to the male. Pairing leads to gonad differentiation in the female, and even gene expression of some gonad-associated genes is controlled by pairing. In contrast, no morphological changes have been observed in males, although first data indicated an effect of pairing also on gene transcription in males. METHODOLOGY/PRINCIPAL FINDINGS: To investigate the influence of pairing on males, we performed a combinatory approach applying SuperSAGE and microarray hybridization, generating the most comprehensive data-set on differential transcription available to date. Of 6,326 sense transcripts detected by both analyses, 29 were significantly differentially transcribed. Besides mutual confirmation, the two methods complemented each other as shown by data comparison and real-time PCR, which revealed a number of genes with consistent regulation across all methods. One of the candidate genes, follistatin of S. mansoni (SmFst was characterized in more detail by in situ hybridization and yeast two-hybrid (Y2H interaction analyses with potential binding partners. CONCLUSIONS/SIGNIFICANCE: Beyond confirming previously hypothesized differences in metabolic processes between pairing-experienced (EM and pairing-unexperienced males (UM, our data indicate that neuronal processes are involved in male-female interaction but also TGFβ-signaling. One candidate revealing significant down-regulation in EM was the TGFβ-pathway controlling molecule follistatin (SmFst. First functional analyses demonstrated SmFst interaction with the S. mansoni TGFβ-receptor agonists inhibin/activin (SmInAct and bone morphogenic protein (SmBMP, and all molecules colocalized in the testes. This indicates a yet unknown role of the TGF

  3. Base pairing in RNA structures: A computational analysis of structural aspects and interaction energies

    Indian Academy of Sciences (India)

    Purshotam Sharma; Abhijit Mitra; Sitansh Sharma; Harjinder Singh

    2007-09-01

    The base pairing patterns in RNA structures are more versatile and completely different as compared to DNA. We present here results of ab-initio studies of structures and interaction energies of eight selected RNA base pairs reported in literature. Interaction energies, including BSSE correction, of hydrogen added crystal geometries of base pairs have been calculated at the HF/6-31G∗∗ level. The structures and interaction energies of the base pairs in the crystal geometry are compared with those obtained after optimization of the base pairs. We find that the base pairs become more planar on full optimization. No change in the hydrogen bonding pattern is seen. It is expected that the inclusion of appropriate considerations of many of these aspects of RNA base pairing would significantly improve the accuracy of RNA secondary structure prediction.

  4. Ecology of dark matter haloes -II. Effects of interactions on the alignment of halo pairs

    Science.gov (United States)

    L'Huillier, Benjamin; Park, Changbom; Kim, Juhan

    2017-01-01

    We use the Horizon Run 4 cosmological N-body simulation to study the effects of distant and close interactions on the alignments of the shapes, spins, and orbits of targets haloes with their neighbours, and their dependence on the local density environment and neighbour separation. Interacting targets have a significantly lower spin and higher sphericity and oblateness than all targets. Interacting pairs initially have anti-parallel spins, but the spins develop parallel alignment as time goes on. Neighbours tend to evolve in the plane of rotation of the target, and in the direction of the major axis of prolate haloes. Moreover, interactions are preferentially radial, while pairs with non-radial orbits are preferentially prograde. The alignment signals are stronger at high-mass and for close separations, and independent on the large-scale density. Positive alignment signals are found at redshifts up to 4, and increase with decreasing redshifts. Moreover, the orbits tend to become prograde at low redshift, while no alignment is found at high redshift (z = 4).

  5. Mass- and isospin-dependence of short-range correlated pairs

    CERN Document Server

    Mosel, U

    2016-01-01

    The target-mass number dependence of nucleon-nucleon pairs with short-range correlations is explored in a physically transparent geometrical model. The observed $A$-dependence of 2-nucleon ejection cross sections in $(e,e')$ reactions is found to reflect the mass-dependence of nuclear density distributions. The dependence of proton-proton vs. proton-neutron pairs is also analyzed in this model. The mass-number dependence relative to $^{12}C$ can be understood using simple combinatorics.

  6. Final state interactions at the threshold of Higgs boson pair production

    OpenAIRE

    Zhang, Zhentao

    2015-01-01

    We study the effect of final state interactions at the threshold of Higgs boson pair production in the Glashow-Weinberg-Salam model. We consider three major processes of the pair production in the model: lepton pair annihilation, ZZ fusion, and WW fusion. We find that the corrections caused by the effect for these processes are markedly different. According to our results, the effect can cause non-negligible corrections to the cross sections for lepton pair annihilation and small corrections ...

  7. Temperature-dependent nuclear moment of inertia including neutron-proton pairing correlations

    Energy Technology Data Exchange (ETDEWEB)

    Ami, Ismahane [Institut des Sciences et de la Technologie, Universite Yahia Fares de Medea, Ain-D heb, 26000 Medea (Algeria); Laboratoire de Physique Theorique, Faculte de Physique, USTHB, BP32, El-Alia, 16111 Bab-Ezzouar, Alger (Algeria); Belabbas, Mohamed [Faculte des Sciences et des Sciences de l' Ingenieur, Universite Hassiba Ben Bouali, BP151, 02000 Chlef (Algeria); Benhamouda, Naziha [Laboratoire de Physique Theorique, Faculte de Physique, USTHB, BP32, El-Alia, 16111 Bab-Ezzouar, Alger (Algeria); Fellah, Mohamed; Allal, Nassima-Hosni [Laboratoire de Physique Theorique, Faculte de Physique, USTHB, BP32, El-Alia, 16111 Bab-Ezzouar, Alger (Algeria); Centre de Recherche Nucleaire d Alger, COMENA, BP 399 Alger-Gare, Alger (Algeria)

    2009-07-01

    Expressions of the temperature-dependent parallel and perpendicular nuclear moments of inertia including neutron-proton pairing correlations have been established. The latter have been derived using the cranking method as well as the isovector temperature-dependent gap equations. They generalize the expressions of the usual finite-temperature BCS (FTBCS) method. The model has been applied to the schematic Richardson model. The obtained results are compared to those of the usual FTBCS approach for the pairing between like-particles.

  8. On the effect of time-dependent inhomogeneous magnetic fields in electron–positron pair production

    Directory of Open Access Journals (Sweden)

    Christian Kohlfürst

    2016-05-01

    Full Text Available Electron–positron pair production in space- and time-dependent electromagnetic fields is investigated. Especially, the influence of a time-dependent, inhomogeneous magnetic field on the particle momenta and the total particle yield is analyzed for the first time. The role of the Lorentz invariant E2−B2, including its sign and local values, in the pair creation process is emphasized.

  9. A number-projected model with generalized pairing interaction in application to rotating nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Satula, W. [Warsaw Univ. (Poland)]|[Joint Institute for Heavy Ion Research, Oak Ridge, TN (United States)]|[Univ. of Tennessee, Knoxville, TN (United States)]|[Royal Institute of Technology, Stockholm (Sweden); Wyss, R. [Royal Institute of Technology, Stockholm (Sweden)

    1996-12-31

    A cranked mean-field model that takes into account both T=1 and T=0 pairing interactions is presented. The like-particle pairing interaction is described by means of a standard seniority force. The neutron-proton channel includes simultaneously correlations among particles moving in time reversed orbits (T=1) and identical orbits (T=0). The coupling between different pairing channels and nuclear rotation is taken into account selfconsistently. Approximate number-projection is included by means of the Lipkin-Nogami method. The transitions between different pairing phases are discussed as a function of neutron/proton excess, T{sub z}, and rotational frequency, {Dirac_h}{omega}.

  10. Role of single-particle and pair condensates in Bose systems with arbitrary intensity of interaction

    Directory of Open Access Journals (Sweden)

    A.S. Peletminskii

    2013-03-01

    Full Text Available We study a superfluid Bose system with single-particle and pair condensates on the basis of a half-phenomenological theory of a Bose liquid not involving the weakness of interparticle interaction. The coupled equations describing the equilibrium state of such system are derived from the variational principle for entropy. These equations are analyzed at zero temperature both analytically and numerically. It is shown that the fraction of particles in the single-particle and pair condensates essentially depends on the total density of the system. At densities attainable in condensates of alkali-metal atoms, almost all particles are in the single-particle condensate. The pair condensate fraction grows with increasing total density and becomes dominant. It is shown that at density of liquid helium, the single-particle condensate fraction is less than 10% that agrees with experimental data on inelastic neutron scattering, Monte Carlo calculations and other theoretical predictions. The ground state energy, pressure, and compressibility are found for the system under consideration. The spectrum of single-particle excitations is also analyzed.

  11. Direct observation of f-pair magnetic field effects and time-dependence of radical pair composition using rapidly switched magnetic fields and time-resolved infrared methods.

    Science.gov (United States)

    Woodward, Jonathan R; Foster, Timothy J; Salaoru, Adrian T; Vink, Claire B

    2008-07-21

    A rapidly switched (magnetic field was employed to directly observe magnetic fields from f-pair reactions of radical pairs in homogeneous solution. Geminate radical pairs from the photoabstraction reaction of benzophenone from cyclohexanol were observed directly using a pump-probe pulsed magnetic field method to determine their existence time. No magnetic field effects from geminate pairs were observed at times greater than 100 ns after initial photoexcitation. By measuring magnetic field effects for fields applied continuously only after this initial geminate period, f-pair effects could be directly observed. Measurement of the time-dependence of the field effect for the photolysis of 2-hydroxy-4-(2-hydroxyethoxy)-2-methylpropiophenone in cyclohexanol using time-resolved infrared spectroscopy revealed not only the presence of f-pair magnetic field effects but also the ability of the time dependence of the MARY spectra to observe the changing composition of the randomly encountering pairs throughout the second order reaction period.

  12. Interactive Approach to Negotiating Styles Dependent on Personality Traits

    Directory of Open Access Journals (Sweden)

    Anna Grabowska

    2016-03-01

    Full Text Available Purpose: This study was of a theoretical character and aimed at presenting various descriptions of the interactions between all possible pairs of four well-known negotiating styles dependent on personality traits. Methodology: This study was based on analysis of the interactions as well as authors’ experiences from their observations and analyses on human behaviors during numerous negotiations and roleplay exercises arranged at the courses for practitioners. The stress was put on analyzing the interactions occurring between people representing both different and the same negotiating styles. Findings: The attempt at describing such interactions was successful and promising for farther research. The concept constitutes a useful tool for analyzing human behavioral aspects of different types of business negotiations, within the process of their planning, conduct and evaluation. Nevertheless, the concept will be a subject of subsequent authors’ research, focusing on its improvement mainly by searching more precise features of negotiating styles and interactions between them. Practical implications: The concept can be applied to analyze many real negotiation situations as well as within the experiment to be arranged by the authors to examine those interactions within the hundreds of pairs of negotiators solving particular case studies. Thus the description of such interactions can be treated as a specifc hypothesis. Originality: In general, the suggestion for solving complex, diffcult and essential issues of negotiating styles was presented but was rarely investigated in the literature on negotiations. In particular, an original concept of describing the interactions between those styles was suggested,.

  13. Electron-Positron Pair Production in Space- or Time-Dependent Electric Fields

    CERN Document Server

    Kleinert, Hagen; Xue, She-Sheng

    2008-01-01

    Treating the production of electron and positron pairs by a strong electric field from the vacuum as a quantum tunneling process we derive, in semiclassical approximation, a general expression for the pair production rate in a $z$-dependent electric field $E(z)$ pointing in the $z$-direction. We also allow for a smoothly varying magnetic field parallel to $E(z)$. The result is applied to a confined field $E(z)\

  14. Sexually dimorphic activation of dopaminergic areas depends on affiliation during courtship and pair formation

    Directory of Open Access Journals (Sweden)

    Mai eIwasaki

    2014-06-01

    Full Text Available For many species, dyadic interaction during courtship and pair bonding engage intense emotional states that control approach or avoidance behavior. Previous studies have shown that one component of a common social brain network (SBN, dopaminergic areas, are highly engaged during male songbird courtship of females. We tested whether the level of activity in dopaminergic systems of both females and males during courtship is related to their level of affiliation. In order to objectively quantify affiliative behaviors, we developed a system for tracking the position of both birds during free interaction sessions. During a third successive daily interaction session, there was a range of levels of affiliation among bird pairs, as quantified by several position and movement parameters. Because both positive and negative social interactions were present, we chose to characterize affiliation strength by pair valence. As a potential neural system involved in regulating pair valence, the level of activity of the dopaminergic group A11 (within the central gray was selectively reduced in females of positive valence pairs. Further, activation of non-dopaminergic neurons in VTA was negatively related to valence, with this relationship strongest in ventral VTA of females. Together, these results suggest that inhibition of fear or avoidance networks may be associated with development of close affiliation, and highlight the importance of negative as well as positive emotional states in the process of courtship, and in development of long-lasting social bonds.

  15. Soliton pair generation in the interactions of Airy and nonlinear accelerating beams

    CERN Document Server

    Zhang, Yiqi; Wu, Zhenkun; Zheng, Huaibin; Lu, Keqing; Li, Yuanyuan; Zhang, Yanpeng

    2013-01-01

    We investigate numerically the interactions of two in-phase and out-of-phase Airy beams and nonlinear accelerating beams in Kerr and saturable nonlinear media, in one transverse dimension. We find that bound and unbound soliton pairs, as well as single solitons, can form in such interactions. If the interval between two incident beams is large relative to the width of their first lobes, the generated soliton pairs just propagate individually and do not interact. However, if the interval is comparable to the widths of the maximum lobes, the pairs interact and display varied behavior. In the in-phase case, they attract each other and exhibit stable bound, oscillating, and unbound states, after shedding some radiation initially. In the out-of-phase case, they repel each other and after an initial interaction, fly away as individual solitons. While the incident beams display acceleration, the solitons or soliton pairs generated from those beams do not.

  16. Beyond Gaussian pair fluctuation theory for strongly interacting Fermi gases

    Science.gov (United States)

    Mulkerin, Brendan C.; Liu, Xia-Ji; Hu, Hui

    2016-07-01

    Interacting Fermi systems in the strongly correlated regime play a fundamental role in many areas of physics and are of particular interest to the condensed matter community. Though weakly interacting fermions are understood, strongly correlated fermions are difficult to describe theoretically as there is no small interaction parameter to expand about. Existing strong-coupling theories rely heavily on the so-called many-body T -matrix approximation that sums ladder-type Feynman diagrams. Here, by acknowledging the fact that the effective interparticle interaction (i.e., the vertex function) becomes smaller above three dimensions, we propose an alternative way to reorganize Feynman diagrams and develop a theoretical framework for interacting Fermi gases beyond the ladder approximation. As an application, we solve the equation of state for three- and two-dimensional strongly interacting fermions and find excellent agreement with experimental [M. J. H. Ku et al., Science 335, 563 (2012), 10.1126/science.1214987] and other theoretical results above temperatures of 0.5 TF .

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

    Science.gov (United States)

    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.

  18. Pair Interactions and Mode of Communication: Comparing Face-to-Face and Computer Mediated Communication

    Science.gov (United States)

    Tan, Lan Liana; Wigglesworth, Gillian; Storch, Neomy

    2010-01-01

    In today's second language classrooms, students are often asked to work in pairs or small groups. Such collaboration can take place face-to-face, but now more often via computer mediated communication. This paper reports on a study which investigated the effect of the medium of communication on the nature of pair interaction. The study involved…

  19. Scale-free behaviour of amino acid pair interactions in folded proteins

    DEFF Research Database (Denmark)

    Petersen, Steffen B.; Neves-Petersen, Maria Teresa; Mortensen, Rasmus J.

    2012-01-01

    that they are in buried a-helices or b-strands, in a spatial distance of 3.8–4.3A° and in a sequence distance .4 residues. We speculate that the scale free organization of the amino acid pair interactions in the 8D protein structure combined with the clear dominance of pairs of Ala, Ile, Leu and Val is important......The protein structure is a cumulative result of interactions between amino acid residues interacting with each other through space and/or chemical bonds. Despite the large number of high resolution protein structures, the ‘‘protein structure code’’ has not been fully identified. Our manuscript...... presents a novel approach to protein structure analysis in order to identify rules for spatial packing of amino acid pairs in proteins. We have investigated 8706 high resolution non-redundant protein chains and quantified amino acid pair interactions in terms of solvent accessibility, spatial and sequence...

  20. On integrable wave interactions and Lax pairs on symmetric spaces

    CERN Document Server

    Gerdjikov, Vladimir S; Ivanov, Rossen I

    2016-01-01

    Multi-component generalizations of derivative nonlinear Schrodinger (DNLS) type of equations having quadratic bundle Lax pairs related to Z_2-graded Lie algebras and A.III symmetric spaces are studied. The Jost solutions and the minimal set of scattering data for the case of local and nonlocal reductions are constructed. The latter lead to multi-component integrable equations with CPT-symmetry. Furthermore, the fundamental analytic solutions (FAS) are constructed and the spectral properties of the associated Lax operators are briefly discussed. The Riemann-Hilbert problem (RHP) for the multi-component generalizations of DNLS equation of Kaup-Newell (KN) and Gerdjikov-Ivanov (GI) types are derived. A modification of the dressing method is presented allowing the explicit derivation of the soliton solutions for the multi-component GI equation with both local and nonlocal reductions. It is shown that for specific choices of the reduction these solutions can have regular behavior for all finite x and t. The fundam...

  1. Maximizing Impact: Pairing interactive web visualizations with traditional print media

    Science.gov (United States)

    Read, E. K.; Appling, A.; Carr, L.; De Cicco, L.; Read, J. S.; Walker, J. I.; Winslow, L. A.

    2016-12-01

    Our Nation's rapidly growing store of environmental data makes new demands on researchers: to take on increasingly broad-scale, societally relevant analyses and to rapidly communicate findings to the public. Interactive web-based data visualizations now commonly supplement or comprise journalism, and science journalism has followed suit. To maximize the impact of US Geological Survey (USGS) science, the USGS Office of Water Information Data Science team builds tools and products that combine traditional static research products (e.g., print journal articles) with web-based, interactive data visualizations that target non-scientific audiences. We developed a lightweight, open-source framework for web visualizations to reduce time to production. The framework provides templates for a data visualization workflow and the packaging of text, interactive figures, and images into an appealing web interface with standardized look and feel, usage tracking, and responsiveness. By partnering with subject matter experts to focus on timely, societally relevant issues, we use these tools to produce appealing visual stories targeting specific audiences, including managers, the general public, and scientists, on diverse topics including drought, microplastic pollution, and fisheries response to climate change. We will describe the collaborative and technical methodologies used; describe some examples of how it's worked; and challenges and opportunities for the future.

  2. Superconductivity in repulsively interacting fermions on a diamond chain: Flat-band-induced pairing

    Science.gov (United States)

    Kobayashi, Keita; Okumura, Masahiko; Yamada, Susumu; Machida, Masahiko; Aoki, Hideo

    2016-12-01

    To explore whether a flat-band system can accommodate superconductivity, we consider repulsively interacting fermions on the diamond chain, a simplest possible quasi-one-dimensional system that contains a flat band. Exact diagonalization and the density-matrix renormalization group are used to show that we have a significant binding energy of a Cooper pair with a long-tailed pair-pair correlation in real space when the total band filling is slightly below 1/3, where a filled dispersive band interacts with the flat band that is empty but close to EF. Pairs selectively formed across the outer sites of the diamond chain are responsible for the pairing correlation. At exactly 1/3-filling an insulating phase emerges, where the entanglement spectrum indicates the particles on the outer sites are highly entangled and topological. These come from a peculiarity of the flat band in which "Wannier orbits" are not orthogonalizable.

  3. Isolated Galaxies versus Interacting Pairs with MaNGA

    CERN Document Server

    Argudo-Fernández, M; Shen, S; Yin, J; Chang, R; Feng, S

    2015-01-01

    We present preliminary results of the spectral analysis on the radial distributions of the star formation history in both, a galaxy merger and a spiral isolated galaxy observed with MaNGA. We find that the central part of the isolated galaxy is composed by older stellar population ($\\sim$2 Gyr) than in the outskirts ($\\sim$7 Gyr). Also, the time-scale is gradually larger from 1 Gyr in the inner part to 3 Gyr in the outer regions of the galaxy. In the case of the merger, the stellar population in the central region is older than in the tails, presenting a longer time-scale in comparison to central part in the isolated galaxy. Our results are in agreement with a scenario where spiral galaxies are built from inside-out. In the case of the merger, we find evidence that interactions enhance star formation in the central part of the galaxy.

  4. Isolated Galaxies versus Interacting Pairs with MaNGA

    Science.gov (United States)

    Fernández, María; Yuan, Fangting; Shen, Shiyin; Yin, Jun; Chang, Ruixiang; Feng, Shuai

    2015-10-01

    We present preliminary results of the spectral analysis on the radial distributions of the star formation history in both, a galaxy merger and a spiral isolated galaxy observed with MaNGA. We find that the central part of the isolated galaxy is composed by older stellar population ($\\sim$2 Gyr) than in the outskirts ($\\sim$7 Gyr). Also, the time-scale is gradually larger from 1 Gyr in the inner part to 3 Gyr in the outer regions of the galaxy. In the case of the merger, the stellar population in the central region is older than in the tails, presenting a longer time-scale in comparison to central part in the isolated galaxy. Our results are in agreement with a scenario where spiral galaxies are built from inside-out. In the case of the merger, we find evidence that interactions enhance star formation in the central part of the galaxy.

  5. Galaxy Pairs in cosmological simulations: Effects of interactions on star formation

    CERN Document Server

    Perez, M J; Lambas, D G; Scannapieco, C; Tissera, Patricia B.; Lambas, Diego G.; Scannapieco, Cecilia

    2005-01-01

    We carried out a statistical analysis of galaxy pairs in hydrodynamical Lambda-CDM simulations. We focused on the triggering of star formation by interactions and analysed the enhancement of star formation activity in terms of orbital parameters. By comparing to a suitable sample of simulated galaxies without a nearby companion, we find that close encounters (r<30 kpc/h) may effectively induce star formation. However, our results suggest that the stability properties of systems and the spatial proximity are both relevant factors in the process of triggering star formation by tidal interactions. In order to assess the effects of projection and spurious pairs in observational samples, we also constructed and analysed samples of pairs of galaxies in the simulations obtained in projection. We found a good agreement with observational results with a threshold at rp ~ 25 kpc/h for interactions to effectively enhance star formation activity. For pairs within rp < 100 kpc/h, we estimated a ~27% contamination by...

  6. Linear-response time-dependent density-functional theory with pairing fields.

    Science.gov (United States)

    Peng, Degao; van Aggelen, Helen; Yang, Yang; Yang, Weitao

    2014-05-14

    Recent development in particle-particle random phase approximation (pp-RPA) broadens the perspective on ground state correlation energies [H. van Aggelen, Y. Yang, and W. Yang, Phys. Rev. A 88, 030501 (2013), Y. Yang, H. van Aggelen, S. N. Steinmann, D. Peng, and W. Yang, J. Chem. Phys. 139, 174110 (2013); D. Peng, S. N. Steinmann, H. van Aggelen, and W. Yang, J. Chem. Phys. 139, 104112 (2013)] and N ± 2 excitation energies [Y. Yang, H. van Aggelen, and W. Yang, J. Chem. Phys. 139, 224105 (2013)]. So far Hartree-Fock and approximated density-functional orbitals have been utilized to evaluate the pp-RPA equation. In this paper, to further explore the fundamentals and the potential use of pairing matrix dependent functionals, we present the linear-response time-dependent density-functional theory with pairing fields with both adiabatic and frequency-dependent kernels. This theory is related to the density-functional theory and time-dependent density-functional theory for superconductors, but is applied to normal non-superconducting systems for our purpose. Due to the lack of the proof of the one-to-one mapping between the pairing matrix and the pairing field for time-dependent systems, the linear-response theory is established based on the representability assumption of the pairing matrix. The linear response theory justifies the use of approximated density-functionals in the pp-RPA equation. This work sets the fundamentals for future density-functional development to enhance the description of ground state correlation energies and N ± 2 excitation energies.

  7. Isospin Dependence of Pion Absorption on Nucleon Pairs at Tπ=65 MeV

    Science.gov (United States)

    Moinester, M. A.; Gill, D. R.; Vincent, J.; Ashery, D.; Levenson, S.; Alster, J.; Altman, A.; Lichtenstadt, J.; Piasetzky, E.; Aniol, K. A.; Johnson, R. R.; Roser, H. W.; Tacik, R.; Gyles, W.; Barnett, B.; Sobie, R. J.; Gubler, H. P.

    1984-04-01

    Angular distributions of differential cross sections were measured for the first time for pion absorption on a T=1, S=0 nucleon pair and for absorption on a T=0, S=1 pair in the 3He nucleus. A large isospin dependence is observed in the differential cross sections. The ratio of cross sections σ(3He(π+,2p))σ(3He(π-,pn)) is 15.2+/-1.2. The results show evidence of an isoscalar component of the final state in the reaction 3He(π-,pn)n, which cannot be mediated by Δ resonance formation.

  8. SPOTing Acetyl-Lysine Dependent Interactions

    Directory of Open Access Journals (Sweden)

    Sarah Picaud

    2015-08-01

    Full Text Available Post translational modifications have been recognized as chemical signals that create docking sites for evolutionary conserved effector modules, allowing for signal integration within large networks of interactions. Lysine acetylation in particular has attracted attention as a regulatory modification, affecting chromatin structure and linking to transcriptional activation. Advances in peptide array technologies have facilitated the study of acetyl-lysine-containing linear motifs interacting with the evolutionary conserved bromodomain module, which specifically recognizes and binds to acetylated sequences in histones and other proteins. Here we summarize recent work employing SPOT peptide technology to identify acetyl-lysine dependent interactions and document the protocols adapted in our lab, as well as our efforts to characterize such bromodomain-histone interactions. Our results highlight the versatility of SPOT methods and establish an affordable tool for rapid access to potential protein/modified-peptide interactions involving lysine acetylation.

  9. Interactions in 1-ethyl-3-methyl imidazolium tetracyanoborate ion pair: Spectroscopic and density functional study

    Energy Technology Data Exchange (ETDEWEB)

    Mao, James X.; Lee, Anita S.; Kitchin, John R.; Nulwala, Hunaid B.; Luebke, David R.; Damodaran, Krishnan

    2013-01-25

    Density Functional Theory is used to investigate a weakly coordinating room-temperature ionic liquid, 1-ethyl-3-methyl imidazolium tetracyanoborate ([Emim]{sup +}[TCB]{sup -}). Four locally stable conformers of the ion pair were located. Atoms-in-molecules (AIM) and electron density analysis indicated the existence of several hydrogen bonds. Further investigation through the Natural Bond Orbital (NBO) and Natural Energy Decomposition Analysis (NEDA) calculations provided insight into the origin of interactions in the [Emim]{sup +}[TCB]{sup -} ion pair. Strength of molecular interactions in the ionic liquid was correlated with frequency shifts of the characteristic vibrations of the ion pair. Harmonic vibrations of the ion pair were also compared with the experimental Raman and Infrared spectra. Vibrational frequencies were assigned by visualizing displacements of atoms around their equilibrium positions and through Potential Energy Distribution (PED) analysis.

  10. Interactions in 1-ethyl-3-methyl imidazolium tetracyanoborate ion pair: Spectroscopic and density functional study

    Energy Technology Data Exchange (ETDEWEB)

    Mao, James X; Lee, Anita S; Kitchin, John R; Nulwala, Hunaid B; Luebke, David R; Damodaran, Krishnan

    2013-04-24

    Density Functional Theory is used to investigate a weakly coordinating room-temperature ionic liquid, 1-ethyl-3-methyl imidazolium tetracyanoborate ([Emim]{sup +}[TCB]{sup -}). Four locally stable conformers of the ion pair were located. Atoms-in-molecules (AIM) and electron density analysis indicated the existence of several hydrogen bonds. Further investigation through the Natural Bond Orbital (NBO) and Natural Energy Decomposition Analysis (NEDA) calculations provided insight into the origin of interactions in the [Emim]{sup +}[TCB]{sup -} ion pair. Strength of molecular interactions in the ionic liquid was correlated with frequency shifts of the characteristic vibrations of the ion pair. Harmonic vibrations of the ion pair were also compared with the experimental Raman and Infrared spectra. Vibrational frequencies were assigned by visualizing displacements of atoms around their equilibrium positions and through Potential Energy Distribution (PED) analysis.

  11. Effects of the protein denaturant guanidinium chloride on aqueous hydrophobic contact-pair interactions.

    Science.gov (United States)

    Macdonald, Ryan D; Khajehpour, Mazdak

    2015-01-01

    Guanidinium chloride (GdmCl) is one of the most common protein denaturants. Although GdmCl is well known in the field of protein folding, the mechanism by which it denatures proteins is not well understood. In fact, there are few studies looking at its effects on hydrophobic interactions. In this work the effect of GdmCl on hydrophobic interactions has been studied by observing how the denaturant influences model systems of phenyl and alkyl hydrophobic contact pairs. Contact pair formation is monitored through the use of fluorescence spectroscopy, i.e., measuring the intrinsic phenol fluorescence being quenched by carboxylate ions. Hydrophobic interactions are isolated from other interactions through a previously developed methodology. The results show that GdmCl does not significantly affect hydrophobic interactions between small moieties such as methyl groups and phenol; while on the other hand, the interaction of larger hydrophobes such as hexyl and heptyl groups with phenol is significantly destabilized.

  12. Lamb Shift in Radical-Ion Pairs is Physically Equivalent to a Spin-Exchange Interaction

    CERN Document Server

    Vitalis, K M

    2013-01-01

    Radical-ion pairs, fundamental for understanding photosynthesis and the avian magnetic compass, were recently shown to be biological open quantum systems. We here show that the coupling of the radical-pair's spin degrees of freedom to its decohering vibrational reservoir leads to a shift of the radical-pair's magnetic energy levels. The Lamb shift Hamiltonian is diagonal in the singlet-triplet basis, and results in a singlet-triplet energy splitting physically indistinguishable from an exchange interaction. This could have profound implications for understanding photosynthetic reaction centers.

  13. Nuclear level density of even-even nuclei with temperature-dependent pairing energy

    Energy Technology Data Exchange (ETDEWEB)

    Dehghani, V.; Alavi, S.A. [University of Sistan and Baluchestan, Physics Department, Faculty of Sciences, Zahedan (Iran, Islamic Republic of)

    2016-10-15

    The influence of using a temperature-dependent pairing term on the back-shifted Fermi gas (BSFG) model of nuclear level density of some even-even nuclei has been investigated. We have chosen an approach to determine the adjustable parameters from theoretical calculations, directly. The exact Ginzburg-Landau (EGL) theory was used to determine the temperature-dependent pairing energy as back-shifted parameter of the BSFG model. The level density parameter of the BSFG model has been determined through the Thomas-Fermi approximation. The level densities of {sup 96}Mo, {sup 106,112}Cd, {sup 106,108}Pd, {sup 164}Dy, {sup 232}Th, {sup 238}U and heat capacities of {sup 96}Mo and {sup 164}Dy nuclei were calculated. Good agreement between theory and experiment was observed. (orig.)

  14. Temperature dependence of the hyperfine interaction at

    Energy Technology Data Exchange (ETDEWEB)

    Lopez-Garcia, Alberto; de la Presa, Patricia; Ayala, Alejandro

    2001-06-01

    The temperature dependence of the quadrupole hyperfine parameters covering the temperature range from 293 to 1173 K was measured at {sup 181}Ta probes in SrHfO{sub 3} by perturbed angular correlation spectroscopy. A fluctuating distribution of quadrupole interactions model was applied to interpret the data. At low temperatures above {approximately}300 K a static, asymmetric, and distributed electric quadrupole interaction was detected. At intermediate temperatures ({approx}600 K) a different quadrupole interaction appears, characterized by a fluctuating distribution of axially symmetric electric field gradient tensors. Above 873 K, the unique presence of a nuclear spin relaxation mechanism shows a second change in the perturbation acting on probes. These changes in the hyperfine interaction are consistent with the structural phase transitions detected by diffraction techniques. The probe effects were also analyzed, comparing {sup 181}Ta with {sup 111}Cd experiments.

  15. Electron-phonon interaction and pairing mechanism in superconducting Ca-intercalated bilayer graphene

    Science.gov (United States)

    Margine, E. R.; Lambert, Henry; Giustino, Feliciano

    2016-01-01

    Using the ab initio anisotropic Eliashberg theory including Coulomb interactions, we investigate the electron-phonon interaction and the pairing mechanism in the recently-reported superconducting Ca-intercalated bilayer graphene. We find that C6CaC6 can support phonon-mediated superconductivity with a critical temperature Tc = 6.8–8.1 K, in good agreement with experimental data. Our calculations indicate that the low-energy Caxy vibrations are critical to the pairing, and that it should be possible to resolve two distinct superconducting gaps on the electron and hole Fermi surface pockets. PMID:26892805

  16. Pair copula constructions to determine the dependence structure of Treasury bond yields

    Directory of Open Access Journals (Sweden)

    Marcelo Brutti Righi

    2015-12-01

    Full Text Available We estimated the dependence structure of US Treasury bonds through a pair copula construction. As a result, we verified that the variability of the yields decreases with a longer time of maturity of the bond. The yields presented strong dependence with past values, strongly positive bivariate associations between the daily variations, and prevalence of the Student's t copula in the relationships between the bonds. Furthermore, in tail associations, we identified relevant values in most of the relationships, which highlights the importance of risk management in the context of bonds diversification.

  17. Theoretical Studies on the Intermolecular Interactions of Potentially Primordial Base-Pair Analogues

    Energy Technology Data Exchange (ETDEWEB)

    Leszczynski, Jerzy [Computational Center for Molecular Structure and Interactions, Jackson, MS; Sponer, Judit [Academy of Sciences of the Czech Republic; Sponer, Jiri [Academy of Sciences of the Czech Republic; Sumpter, Bobby G [ORNL; Fuentes-Cabrera, Miguel A [ORNL; Vazquez-Mayagoitia, Alvaro [ORNL

    2010-01-01

    Recent experimental studies on the Watson Crick type base pairing of triazine and aminopyrimidine derivatives suggest that acid/base properties of the constituent bases might be related to the duplex stabilities measured in solution. Herein we use high-level quantum chemical calculations and molecular dynamics simulations to evaluate the base pairing and stacking interactions of seven selected base pairs, which are common in that they are stabilized by two NH O hydrogen bonds separated by one NH N hydrogen bond. We show that neither the base pairing nor the base stacking interaction energies correlate with the reported pKa data of the bases and the melting points of the duplexes. This suggests that the experimentally observed correlation between the melting point data of the duplexes and the pKa values of the constituent bases is not rooted in the intrinsic base pairing and stacking properties. The physical chemistry origin of the observed experimental correlation thus remains unexplained and requires further investigations. In addition, since our calculations are carried out with extrapolation to the complete basis set of atomic orbitals and with inclusion of higher electron correlation effects, they provide reference data for stacking and base pairing energies of non-natural bases.

  18. Nucleon-pair states of even-even Sn isotopes based on realistic effective interactions

    Science.gov (United States)

    Cheng, Y. Y.; Qi, C.; Zhao, Y. M.; Arima, A.

    2016-08-01

    In this paper we study yrast states of 128,126,124Sn and 104,106,108Sn by using the monopole-optimized realistic interactions in terms of both the shell model (SM) and the nucleon-pair approximation (NPA). For yrast states of 128,126Sn and 104,106Sn, we calculate the overlaps between the wave functions obtained in the full SM space and those obtained in the truncated NPA space, and find that most of these overlaps are very close to 1. Very interestingly, for most of these states with positive parity and even spin or with negative parity and odd spin, the SM wave function is found to be well represented by one nucleon-pair basis state, viz., a simple picture of "nucleon-pair states" (nucleon-pair configuration without mixings) emerges. In 128,126Sn, the positive-parity (or negative-parity) yrast states with spin J >10 (or J >7 ) are found to be well described by breaking one or two S pairs in the 101+ (or 71-) state, i.e., the yrast state of seniority-two, spin-maximum, and positive-parity (or negative-parity), into non-S pair(s). Similar regularity is also pointed out for 104,106Sn. The evolution of E 2 transition rates between low-lying states in 128,126,124Sn is discussed in terms of the seniority scheme.

  19. Single-molecule derivation of salt dependent base-pair free energies in DNA

    CERN Document Server

    Huguet, J M; Forns, N; Smith, S B; Bustamante, C; Ritort, F; 10.1073/pnas.1001454107

    2010-01-01

    Accurate knowledge of the thermodynamic properties of nucleic acids is crucial to predicting their structure and stability. To date most measurements of base-pair free energies in DNA are obtained in thermal denaturation experiments, which depend on several assumptions. Here we report measurements of the DNA base-pair free energies based on a simplified system, the mechanical unzipping of single DNA molecules. By combining experimental data with a physical model and an optimization algorithm for analysis, we measure the 10 unique nearest-neighbor base-pair free energies with 0.1 kcal mol-1 precision over two orders of magnitude of monovalent salt concentration. We find an improved set of standard energy values compared with Unified Oligonucleotide energies and a unique set of 10 base-pair-specific salt-correction values. The latter are found to be strongest for AA/TT and weakest for CC/GG. Our new energy values and salt corrections improve predictions of DNA unzipping forces and are fully compatible with melt...

  20. Probing the Pairing Interaction and Multiple Bardasis-Schrieffer Modes Using Raman Spectroscopy

    Science.gov (United States)

    Maiti, S.; Maier, T. A.; Böhm, T.; Hackl, R.; Hirschfeld, P. J.

    2016-12-01

    In unconventional superconductors, understanding the form of the pairing interaction is the primary goal. In this regard, Raman spectroscopy is a very useful tool, as it identifies the ground state and also the subleading pairing channels by probing collective modes. Here, we propose a general theory for a multiband Raman response and identify new features in the spectrum that can provide a robust test for a pairing theory. We identify multiple Bardasis-Schrieffer type collective modes and connect the weights of these modes to the subleading gap structures within a microscopic pairing theory. While our conclusions are completely general, we apply our approach to interpret the specific case of B1 g Raman scattering in hole-doped BaFe2 As2 .

  1. Drinking alcohol has sex-dependent effects on pair bond formation in prairie voles.

    Science.gov (United States)

    Anacker, Allison M J; Ahern, Todd H; Hostetler, Caroline M; Dufour, Brett D; Smith, Monique L; Cocking, Davelle L; Li, Ju; Young, Larry J; Loftis, Jennifer M; Ryabinin, Andrey E

    2014-04-22

    Alcohol use and abuse profoundly influences a variety of behaviors, including social interactions. In some cases, it erodes social relationships; in others, it facilitates sociality. Here, we show that voluntary alcohol consumption can inhibit male partner preference (PP) formation (a laboratory proxy for pair bonding) in socially monogamous prairie voles (Microtus ochrogaster). Conversely, female PP is not inhibited, and may be facilitated by alcohol. Behavior and neurochemical analysis suggests that the effects of alcohol on social bonding are mediated by neural mechanisms regulating pair bond formation and not alcohol's effects on mating, locomotor, or aggressive behaviors. Several neuropeptide systems involved in the regulation of social behavior (especially neuropeptide Y and corticotropin-releasing factor) are modulated by alcohol drinking during cohabitation. These findings provide the first evidence to our knowledge that alcohol has a direct impact on the neural systems involved in social bonding in a sex-specific manner, providing an opportunity to explore the mechanisms by which alcohol affects social relationships.

  2. Shape evolution of Ne isotopes and Ne hypernuclei: The interplay of pairing and tensor interactions

    Directory of Open Access Journals (Sweden)

    Li A.

    2014-03-01

    Full Text Available We study tensor and pairing effects on the quadruple deformation of neon isotopes based on a deformed Skyrme-Hartree-Fock model with BCS approximation for the pairing channel. We extend the Skyrme-Hartree-Fock formalism for the description of hypernuclei adopting the recently-proposed ESC08b hyperon-nucleon interaction. It is found that the interplay of pairing and tensor interactions is crucial to derive the deformations in several neon isotopes. Especially, the shapes of 26,30Ne are studied in details in comparisons with experimentally observed shapes. Furthermore the deformations of the hypernuclei are compared with the corresponding neon isotopic cores in the presence of tensor force. We find the same shapes with somewhat smaller deformations for single Λ-hypernuclei compared with their core deformations.

  3. Verbal play as a discourse resource in the social interactions of older and younger communication pairs.

    Science.gov (United States)

    Shune, Samantha; Duff, Melissa Collins

    2014-01-01

    Verbal play, or the playful manipulation of elements of language, is a pervasive component of social interaction, serving important interpersonal functions. We analyzed verbal play in the interactional discourse of ten healthy younger pairs and ten healthy older pairs as they completed a collaborative referencing task. A total of 1,893 verbal play episodes were coded. While there were no group differences in verbal play frequency, age-related differences in the quality and function of these episodes emerged. While older participants engaged in more complex, extended, and reciprocal episodes that supported the social nature of communicative interactions (e.g., teasing), younger participants were more likely to engage in verbal play episodes for the purpose of successful task completion. Despite these age-related variations in the deployment of verbal play, verbal play is a robust interactional discourse resource in healthy aging, highlighting an element of human cognition that does not appear to decline with age.

  4. Thermodynamics of the ethylene glycol pair interaction with some amino acids and benzene

    Energy Technology Data Exchange (ETDEWEB)

    Kustov, Andrey V., E-mail: kustov@isuct.ru [G.A. Krestov Institute of Solution Chemistry, Russian Academy of Sciences, 1 Akademicheskaya Str., 153045 Ivanovo (Russian Federation); Ivanovo State University of Chemistry and Technology, Sheremetevskiy av. 7, 153012, Ivanovo (Russian Federation); Antonova, Olga A.; Smirnova, Nataliya L. [G.A. Krestov Institute of Solution Chemistry, Russian Academy of Sciences, 1 Akademicheskaya Str., 153045 Ivanovo (Russian Federation); Ivanovo State University of Chemistry and Technology, Sheremetevskiy av. 7, 153012, Ivanovo (Russian Federation)

    2014-06-01

    Highlights: • Thermodynamics of amino acid solutions in highly aqueous Eg was studied at 298 and 313 K. • The pair interaction parameters were computed using the virial expansion technique. • The results were discussed in terms of solute–Eg pair interactions. - Abstract: We have studied thermodynamics of interaction of benzene and some amino acids with ethylene glycol (Eg) which is a stabilizing agent for proteins in water using calorimetric and solubility data. Enthalpic, entropic and free energy parameters in highly diluted aqueous solutions have been computed at 298 and 313 K using the virial expansion technique and compared with available literature values. The results obtained are discussed in terms of solute–solute interactions and their relation to stability of macromolecules.

  5. Analytical pair correlations in ideal quantum gases: temperature-dependent bunching and antibunching.

    Science.gov (United States)

    Bosse, J; Pathak, K N; Singh, G S

    2011-10-01

    The fluctuation-dissipation theorem together with the exact density response spectrum for ideal quantum gases has been utilized to yield a new expression for the static structure factor, which we use to derive exact analytical expressions for the temperature-dependent pair distribution function g(r) of the ideal gases. The plots of bosonic and fermionic g(r) display "Bose pile" and "Fermi hole" typically akin to bunching and antibunching as observed experimentally for ultracold atomic gases. The behavior of spin-scaled pair correlation for fermions is almost featureless, but bosons show a rich structure including long-range correlations near T(c). The coherent state at T=0 shows no correlation at all, just like single-mode lasers. The depicted decreasing trend in correlation with decrease in temperature for T

  6. A Catalog of Faint Interacting Galaxies in Pairs and Groups: Erratum

    Science.gov (United States)

    de Mello, Duilia F.; Infante, Leopoldo; Menanteau, Felipe

    In the paper ``A Catalog of Faint Interacting Galaxies in Pairs and Groups'' by Duília F. de Mello, Leopoldo Infante, and Felipe Menanteau (ApJS, 108, 99 [1997]), a correction should be made to Table 2. No sextet was found in this survey. The total number of groups is 29.

  7. Cooperative Interactions in Peer Tutoring: Patterns and Sequences in Paired Writing

    Science.gov (United States)

    Duran, David

    2010-01-01

    The research analyzes the interaction of 24 students (12 pairs) of secondary students when using peer tutoring techniques to learn Catalan. Students worked together in a program to produce an authentic writing experience. Significant increases were observed in pre- and posttest Catalan attainment scores of students. An analysis of the…

  8. Effects of the osmolyte TMAO (Trimethylamine-N-oxide) on aqueous hydrophobic contact-pair interactions.

    Science.gov (United States)

    Macdonald, Ryan D; Khajehpour, Mazdak

    2013-12-31

    Osmolytes are small, soluble organic molecules produced by living organisms for maintaining cell volume. These molecules have also been shown to have significant effects on the stability of proteins. Perhaps one of the most studied osmolytes is Trimethylamine-N-oxide (TMAO). Thermodynamic studies of the effects of TMAO on proteins have shown that this molecule is a strong stabilizer of the protein folded state, thus being able to counteract the effects of protein denaturants such as urea and guanidine hydrochloride. Most studies of TMAO effects on bio-molecular stability have until now been focused on how the osmolyte reduces the solubility of polypeptide backbones, while the effects of TMAO on hydrophobic interactions are still not well understood. In fact, there are few experimental data measuring the effect of TMAO on hydrophobic interactions. This work studies phenyl and alkyl contact pairs as model hydrophobic contact pairs. The formation of these contact pairs is monitored using fluorescence, i.e., through the quenching of phenol fluorescence by carboxylate ions; and a methodology is developed to isolate hydrophobic contributions from other interactions. The data demonstrate that the addition of TMAO to the aqueous solvent destabilizes hydrophobic contact pairs formed between alkyl and phenyl moieties. In other words, TMAO acts as a "denaturant" for hydrophobic interactions.

  9. Antiferromagnetic Ising spin glass competing with BCS pairing interaction in a transverse field

    Science.gov (United States)

    Magalhães, S. G.; Zimmer, F. M.; Kipper, C. J.; Calegari, E. J.

    2006-07-01

    The competition among spin glass (SG), antiferromagnetism (AF) and local pairing superconductivity (PAIR) is studied in a two-sublattice fermionic Ising spin glass model with a local BCS pairing interaction in the presence of an applied magnetic transverse field Γ. In the present approach, spins in different sublattices interact with a Gaussian random coupling with an antiferromagnetic mean J0 and standard deviation J. The problem is formulated in the path integral formalism in which spin operators are represented by bilinear combinations of Grassmann variables. The saddle-point Grand Canonical potential is obtained within the static approximation and the replica symmetric ansatz. The results are analysed in phase diagrams in which the AF and the SG phases can occur for small g (g is the strength of the local superconductor coupling written in units of J), while the PAIR phase appears as unique solution for large g. However, there is a complex line transition separating the PAIR phase from the others. It is second order at high temperature that ends in a tricritical point. The quantum fluctuations affect deeply the transition lines and the tricritical point due to the presence of Γ.

  10. Effects of the plasma profiles on photon and pair production in ultrahigh intensity laser solid interaction

    Energy Technology Data Exchange (ETDEWEB)

    Tian, Y. X.; Jin, X. L., E-mail: jinxiaolin@uestc.edu.cn; Yan, W. Z.; Li, J. Q.; Li, B. [Vacuum Electronics National Laboratory, University of Electronic Science and Technology of China, Chengdu 610054 (China); Yu, J. Q. [Vacuum Electronics National Laboratory, University of Electronic Science and Technology of China, Chengdu 610054 (China); John Adams Institute for Accelerator Science, Imperial College London, London SW7 2AZ (United Kingdom)

    2015-12-15

    The model of photon and pair production in strong field quantum electrodynamics is implemented into our 1D3V particle-in-cell code with Monte Carlo algorithm. Using this code, the evolution of the particles in ultrahigh intensity laser (∼10{sup 23} W/cm{sup 2}) interaction with aluminum foil target is observed. Four different initial plasma profiles are considered in the simulations. The effects of initial plasma profiles on photon and pair production, energy spectra, and energy evolution are analyzed. The results imply that one can set an optimal initial plasma profile to obtain the desired photon distributions.

  11. Coulomb scattering in a 2D interacting electron gas and production of EPR pairs.

    Science.gov (United States)

    Saraga, D S; Altshuler, B L; Loss, Daniel; Westervelt, R M

    2004-06-18

    We propose a setup to generate nonlocal spin Einstein-Podolsky-Rosen pairs via pair collisions in a 2D interacting electron gas, based on constructive two-particle interference in the spin-singlet channel at the pi/2 scattering angle. We calculate the scattering amplitude via the Bethe-Salpeter equation in the ladder approximation and small r(s) limit and find that the Fermi sea leads to a substantial renormalization of the bare scattering process. From the scattering length, we estimate the current of spin-entangled electrons and show that it is within experimental reach.

  12. Full top quark mass dependence in Higgs boson pair production at NLO

    CERN Document Server

    Borowka, S; Heinrich, G; Jones, S P; Kerner, M; Schlenk, J; Zirke, T

    2016-01-01

    We study the effects of the exact top-quark mass dependent two-loop corrections to Higgs boson pair production by gluon fusion at the LHC and at a 100 TeV hadron collider. We perform a detailed comparison of the full next-to-leading order result to various approximations at the level of differential distributions and also analyse non-standard Higgs self-coupling scenarios. We find that the different next-to-leading order approximations differ from the full result by up to 50 percent in relevant differential distributions. This clearly stresses the importance of the full NLO result.

  13. Molecular dynamics simulation of crystalline UF6 using the pair interaction potentials of the uranium and fluorine particles

    Science.gov (United States)

    Shekunov, G. S.; Nekrasov, K. A.; Boyarchenkov, A. S.; Kupryazhkin, A. Ya.

    2016-09-01

    A model of uranium hexafluoride is suggested that is based on the empirical pair potentials of U-U, F-F, U-F used for both intra- and intermolecular interactions. The potentials for this model are obtained from the lattice parameters and the thermal expansion coefficient of UF6 crystal using the molecular dynamics simulation under the periodic boundary conditions with constant volume and temperature. Within the framework of the model, the thermal expansion and sublimation of crystalline UF6 are investigated. A set of potential parameters is identified that provides satisfactory simulation of both UF6 crystal and the dependence of the UF6 saturated vapor pressure on temperature.

  14. Electron-pair densities with time-dependent quantum Monte-Carlo

    CERN Document Server

    Christov, Ivan P

    2013-01-01

    In this paper we use sets of de Broglie-Bohm trajectories to describe the quantum correlation effects which take place between the electrons in helium atom due to exchange and Coulomb interactions. A short-range screening of the Coulomb potential is used to modify the repulsion between the same spin electrons in physical space in order to comply with the Pauli's exclusion principle. By calculating the electron-pair density for ortho-helium we found that the shape of the exchange hole can be controlled uniquely by a simple screening parameter. For para-helium the inter-electronic distance, and hence the Coulomb hole, results from the combined action of the Coulomb repulsion and the non-local quantum correlations. In this way a robust and self-interaction-free approach is present to find both the ground state and the time evolution of non-relativistic quantum systems.

  15. O⁶-carboxymethylguanine in DNA forms a sequence context-dependent wobble base-pair structure with thymine.

    Science.gov (United States)

    Zhang, Fang; Tsunoda, Masaru; Kikuchi, Yuji; Wilkinson, Oliver; Millington, Christopher L; Margison, Geoffrey P; Williams, David M; Takénaka, Akio

    2014-06-01

    N-Nitrosation of glycine and its derivatives generates potent alkylating agents that can lead to the formation of O(6)-carboxymethylguanine (O(6)-CMG) in DNA. O(6)-CMG has been identified in DNA derived from human colon tissue and its occurrence has been linked to diets high in red and processed meats, implying an association with the induction of colorectal cancer. By analogy to O(6)-methylguanine, O(6)-CMG is expected to be mutagenic, inducing G-to-A mutations that may be the molecular basis of increased cancer risk. Previously, the crystal structure of the DNA dodecamer d(CGCG[O(6)-CMG]ATTCGCG) has been reported, in which O(6)-CMG forms a Watson-Crick-type pair with thymine similar to the canonical A:T pair. In order to further investigate the versatility of O(6)-CMG in base-pair formation, the structure of the DNA dodecamer d(CGC[O(6)-CMG]AATTTGCG) containing O(6)-CMG at a different position has been determined by X-ray crystallography using four crystal forms obtained under conditions containing different solvent ions (Sr(2+), Ba(2+), Mg(2+), K(+) or Na(+)) with and without Hoechst 33258. The most striking finding is that the pairing modes of O(6)-CMG with T are quite different from those previously reported. In the present dodecamer, the T bases are displaced (wobbled) into the major groove to form a hydrogen bond between the thymine N(3) N-H and the carboxyl group of O(6)-CMG. In addition, a water molecule is bridged through two hydrogen bonds between the thymine O(2) atom and the 2-amino group of O(6)-CMG to stabilize the pairing. These interaction modes commonly occur in the four crystal forms, regardless of the differences in crystallization conditions. The previous and the present results show that O(6)-CMG can form a base pair with T in two alternative modes: the Watson-Crick type and a high-wobble type, the nature of which may depend on the DNA-sequence context.

  16. Simulations on pair creation from beam-beam interaction in linear colliders

    Energy Technology Data Exchange (ETDEWEB)

    Chen, P.; Tauchi, T. (Stanford Linear Accelerator Center, Menlo Park, CA (USA)); Yokoya, K. (National Lab. for High Energy Physics, Tsukuba, Ibaraki (Japan))

    1991-05-01

    It has been recognized that e{sup +}e{sup {minus}} pair creation during the collision of intense beams in linear colliders will cause potential background problems for high energy experiments. Detailed knowledge of the angular-momentum spectrum of these low energy pairs is essential to the design of the interaction region. In this paper, we modify the computer code ABEL (Analysis of Beam-beam Effects in Linear colliders) to include the pair creation processes, using the equivalent photon approximation. Special care has been taken on the non-local nature of the virtual photon exchanges. The simulation results are then compared with known analytic formulas, and applied to the next generation colliders such as JLC. 10 refs., 2 figs.

  17. Interactions between impurities and breather-pairs in a nonlinear lattice

    Science.gov (United States)

    Lin, Han; Chen, Weizhong; Lu, Lei; Wei, Rongjue

    2003-09-01

    Based on the Frenkel-Kontorova (FK) model with a δ-impurity, this Letter investigates the interactions between impurities and breather-pairs in a nonlinear pendulum chain driven by a vertical vibration. The numerical results show that a long impurity in pendulum length can absorb more energy into the chain and upgrade the energy level of the breather-pair, when the driving frequency is slight lower than that of parametric resonance of the perfect pendulums, while a short one plays a counteractive role. As the chain is driven at a higher frequency, the effect of impurities turns reverse, which shows a clear symmetry and equivalency between long and short impurities. The main results including the effect and the symmetry of impurities generalize the conclusion on the single breather to the breather-pair.

  18. Interactions between impurities and breather-pairs in a nonlinear lattice

    Energy Technology Data Exchange (ETDEWEB)

    Lin Han; Chen Weizhong; Lu Lei; Wei Rongjue

    2003-09-15

    Based on the Frenkel-Kontorova (FK) model with a {delta}-impurity, this Letter investigates the interactions between impurities and breather-pairs in a nonlinear pendulum chain driven by a vertical vibration. The numerical results show that a long impurity in pendulum length can absorb more energy into the chain and upgrade the energy level of the breather-pair, when the driving frequency is slight lower than that of parametric resonance of the perfect pendulums, while a short one plays a counteractive role. As the chain is driven at a higher frequency, the effect of impurities turns reverse, which shows a clear symmetry and equivalency between long and short impurities. The main results including the effect and the symmetry of impurities generalize the conclusion on the single breather to the breather-pair.

  19. Fluid-dynamical scheme for equilibrium properties of two trapped fermion species with pairing interactions

    Science.gov (United States)

    Capuzzi, P.; Hernández, E. S.; Szybisz, L.

    2008-10-01

    We present a generalization of the fluid-dynamical scheme developed for nuclear physics to the case of two trapped fermion species with pairing interactions. To establish a macroscopic description of the mass and momentum conservation laws, we adopt a generalization of the usual Thomas-Fermi approach that includes the pairing energy. We analyze the equilibrium density and gap profiles for an equal population mixture of harmonically trapped Li6 atoms for different choices of the local equation of state. We examine slight departures from equilibrium within our formulation, finding that density oscillations can propagate as first sound coupled to pairing vibrations, that in a homogeneous fermion system exhibit a Bogoliubov-like quasiparticle spectrum. In this case, the dispersion relation for the coupled modes displays a rich scenario of stable, unstable, and damped regimes.

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

    Directory of Open Access Journals (Sweden)

    Salsberg Jon

    2004-03-01

    Full Text Available Abstract 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

  1. Inverse Temperature Dependence of Nuclear Quantum Effects in DNA Base Pairs

    CERN Document Server

    Fang, Wei; Rossi, Mariana; Feng, Yexin; Li, Xin-Zheng; Michaelides, Angelos

    2016-01-01

    Despite the inherently quantum mechanical nature of hydrogen bonding, it is unclear how nuclear quantum effects (NQEs) alter the strengths of hydrogen bonds. With this in mind, we use ab initio path integral molecular dynamics to determine the absolute contribution of NQEs to the binding in DNA base pair complexes, arguably the most important hydrogen-bonded systems of all. We find that depending on the temperature, NQEs can either strengthen or weaken the binding within the hydrogen-bonded complexes. As a somewhat counterintuitive consequence, NQEs can have a smaller impact on hydrogen bond strengths at cryogenic temperatures than at room temperature. We rationalize this in terms of a competition of NQEs between low-frequency and high-frequency vibrational modes. Extending this idea, we also propose a simple model to predict the temperature dependence of NQEs on hydrogen bond strengths in general.

  2. Higgs boson pair production in gluon fusion at NLO with full top-quark mass dependence

    CERN Document Server

    Borowka, S; Heinrich, G; Jones, S P; Kerner, M; Schlenk, J; Schubert, U; Zirke, T

    2016-01-01

    We present the calculation of the cross section and invariant mass distribution for Higgs boson pair production in gluon fusion at next-to-leading order (NLO) in QCD. Top-quark masses are fully taken into account throughout the calculation. The virtual two-loop amplitude has been generated using an extension of the program GoSam supplemented with an interface to Reduze for the integral reduction. The occurring integrals have been calculated numerically using the program SecDec. Our results, including the full top-quark mass dependence for the first time, allow us to assess the validity of various approximations proposed in the literature, which we also recalculate. We find substantial deviations between the NLO result and the different approximations, which emphasizes the importance of including the full top-quark mass dependence at NLO.

  3. Study on the impact of pair production interaction on D-T controllable neutron density logging.

    Science.gov (United States)

    Yu, Huawei; Zhang, Li; Hou, Boran

    2016-05-01

    This paper considers the effect of pair production on the precision of D-T controllable neutron source density logging. Firstly, the principle of the traditional density logging and pulsed neutron density logging are analyzed and then gamma ray cross sections as a function of energy for various minerals are compared. In addition, the advantageous areas of Compton scattering and pair production interactions on high-energy gamma ray pulse height spectrum and the errors of a controllable source density measurement are studied using a Monte Carlo simulation method. The results indicate that density logging mainly utilizes the Compton scattering of gamma rays, while the attenuation of neutron induced gamma rays and the precision of neutron gamma density measurements are affected by pair production interactions, particularly in the gamma rays with energy higher than 2MeV. By selecting 0.2-2MeV energy range and performing proper lithology correction, the effect of pair production can be eliminated effectively and the density measurement error can be rendered close to the precision of chemical source density logging.

  4. Interactions in ion pairs of protic ionic liquids: comparison with aprotic ionic liquids.

    Science.gov (United States)

    Tsuzuki, Seiji; Shinoda, Wataru; Miran, Md Shah; Kinoshita, Hiroshi; Yasuda, Tomohiro; Watanabe, Masayoshi

    2013-11-01

    The stabilization energies for the formation (E(form)) of 11 ion pairs of protic and aprotic ionic liquids were studied by MP2/6-311G** level ab initio calculations to elucidate the difference between the interactions of ions in protic ionic liquids and those in aprotic ionic liquids. The interactions in the ion pairs of protic ionic liquids (diethylmethylammonium [dema] and dimethylpropylammonium [dmpa] based ionic liquids) are stronger than those of aprotic ionic liquids (ethyltrimethylammonium [etma] based ionic liquids). The E(form) for the [dema][CF3SO3] and [dmpa][CF3SO3] complexes (-95.6 and -96.4 kcal/mol, respectively) are significantly larger (more negative) than that for the [etma][CF3SO3] complex (-81.0 kcal/mol). The same trend was observed for the calculations of ion pairs of the three cations with the Cl(-), BF4(-), TFSA(-) anions. The anion has contact with the N-H bond of the dema(+) or dmpa(+) cations in the most stable geometries of the dema(+) and dmpa(+) complexes. The optimized geometries, in which the anions locate on the counter side of the cations, are 11.0-18.0 kcal/mol less stable, which shows that the interactions in the ions pairs of protic ionic liquids have strong directionality. The E(form) for the less stable geometries for the dema(+) and dmpa(+) complexes are close to those for the most stable etma(+) complexes. The electrostatic interaction, which is the major source of the attraction in the ion pairs, is responsible for the directionality of the interactions and determining the magnitude of the interaction energy. Molecular dynamic simulations of the [dema][TFSA] and [dmpa][TFSA] ionic liquids show that the N-H bonds of the cations have contact with the negatively charged (oxygen and nitrogen) atoms of TFSA(-) anion, while the strong directionality of the interactions was not suggested from the simulation of the [etma][CF3SO3] ionic liquid.

  5. The Interparticle Interaction Between a Vertically Aligned Dust Particle Pair in a Complex Plasma

    Science.gov (United States)

    Qiao, Ke; Ding, Zhiyue; Kong, Jie; Matthews, Lorin; Hyde, Truell

    2016-10-01

    The interaction between dust particles is a fundamental topic in complex plasma. In experiments on earth, the interparticle interaction in the horizontal direction (i.e., perpendicular to the gravitational force) is generally recognized to be a Yukawa potential. However, the interaction in the vertical direction is much more complicated, primarily due to the ion flow in the plasma sheath. In this research, we introduce a non-intrusive method to study the interaction between a vertically aligned dust particle pair confined in a glass box placed on the lower powered electrode within a GEC reference cell. This system is investigated for varying rf powers to obtain the trend of the interparticle interaction strength, which is contrasted with theoretical results. Using spontaneous thermal fluctuations of the neutral gas as the only driving force, we obtain the normal mode spectra of the dust pair, revealing not only the oscillation frequencies, but also the vibration amplitudes of the normal modes. The interaction strength between the upper and lower particle is obtained quantitatively from these mode spectra, showing strong nonreciprocity in both the vertical and horizontal directions. It will also be shown that the resulting horizontal attractive force of the upper particle on the lower particle can be larger than the horizontal confinement produced by the glass box alone. NSF / DOE funding is gratefully acknowledged - PHY1414523 & PHY1262031.

  6. Formation of chain structures in systems of charged grains interacting via isotropic pair potentials

    Energy Technology Data Exchange (ETDEWEB)

    Vaulina, O. S.; Lisina, I. I.; Koss, K. G., E-mail: Xeniya.Koss@gmail.com [Russian Academy of Sciences, Joint Institute for High Temperatures (Russian Federation)

    2013-05-15

    Conditions for the formation of chain structures of charged grains confined in the gravitational field by external electric fields are studied analytically and numerically. The relationships between the parameters of the pair interaction potential, the number of grains, and the electric field gradient in the trap are found. A criterion for the violation of stable equilibrium in a quasi-one-dimensional chain of grains and the formation of a new configuration in the system is proposed.

  7. Effect of Inter-particle Interactions on Pair Correlations of One-Dimensional Anyon Gases

    Science.gov (United States)

    Li, Yan; He, Zhi

    2015-10-01

    The pair correlation function of the one-dimensional interacting anyonic system in its ground state is investigated based on the exact Bethe ansatz solution for arbitrary coupling constant () and statistics parameter (). We discuss the effects of the inter-particle interactions and the fractional statistics on the pair correlations in both position and momentum spaces. The pair correlations of anyons with coupling constant c and statistical parameter in position space are identical to that of the Lieb-Liniger Bose model with effective coupling constant . Besides the effect of renormalized coupling, the correlations in momentum space reveal more effects induced by the statistics parameter. The anyonic statistics results in the nonsymmetric correlation when the statistics parameter deviates from 0 (Bose statistics) and (Fermi statistics) for any coupling constant c. The correlations display peaks and dips, representing the bunching and antibunching of atoms, respectively. The correlations show crossover from bunching behavior of bosons to antibunching behavior of fermions as varies from 0 to for arbitrary coupling constant. Besides the fractional effect, we also observe the effects induced by the inter-particle interactions in the momentum correlations. With the increase of the coupling constant, the bunching effect between particles weakens and the antibunching points in the correlations shift.

  8. Observation of interband pairing interaction in a two-band superconductor: MgB2.

    Science.gov (United States)

    Geerk, J; Schneider, R; Linker, G; Zaitsev, A G; Heid, R; Bohnen, K-P; v Löhneysen, H

    2005-06-10

    The recently discovered anisotropic superconductor MgB2 is the first of its kind showing the intriguing properties of two-band superconductivity. By tunneling experiments using thin film tunnel junctions, electron-coupled phonon spectra were determined showing that superconductivity in MgB2 is phonon mediated. In a further analysis, which involves first principles calculations, the strongest feature in these spectra could be traced back to the key quantity of two-band superconductivity, the interband pairing interaction. For the phonons, this interaction turns out quite selective. It involves mainly low-energy optical phonon modes, where the boron atoms move perpendicular to the boron planes.

  9. A pair of pharyngeal gustatory receptor neurons regulates caffeine-dependent ingestion in Drosophila larvae

    Directory of Open Access Journals (Sweden)

    Jaekyun Choi

    2016-07-01

    Full Text Available The sense of taste is an essential chemosensory modality that enables animals to identify appropriate food sources and control feeding behavior. In particular, the recognition of bitter taste prevents animals from feeding on harmful substances. Feeding is a complex behavior comprised of multiple steps, and food quality is continuously assessed. We here examined the role of pharyngeal gustatory organs in ingestion behavior. As a first step, we constructed a gustatory receptor-to-neuron map of the larval pharyngeal sense organs, and examined corresponding gustatory receptor neuron projections in the larval brain. Out of 22 candidate bitter compounds, we found 14 bitter compounds that elicit inhibition of ingestion in a dose-dependent manner. We provide evidence that certain pharyngeal gustatory receptor neurons are necessary and sufficient for the ingestion response of larvae to caffeine. Additionally, we show that a specific pair of pharyngeal gustatory receptor neurons, DP1, responds to caffeine by calcium imaging. In this study we show that a specific pair of gustatory receptor neurons in the pharyngeal sense organs coordinates caffeine sensing with regulation of behavioral responses such as ingestion. Our results indicate that in Drosophila larvae, the pharyngeal gustatory receptor neurons have a major role in sensing food palatability to regulate ingestion behavior. The pharyngeal sense organs are prime candidates to influence ingestion due to their position in the pharynx, and they may act as first level sensors of ingested food.

  10. An interaction scenario of the galaxy pair NGC 3893/96 (KPG 302): A single passage?

    Energy Technology Data Exchange (ETDEWEB)

    Gabbasov, R. F.; Rosado, M. [Instituto de Astronomía, Universidad Nacional Autónoma de Mexico (UNAM), A.P. 70-264,04510 México D.F. (Mexico); Klapp, J., E-mail: ruslan.gabb@gmail.com [Instituto Nacional de Investigaciones Nucleares, Carretera México-Toluca S/N, La Marquesa, Ocoyoacac, 52750 Estado de México (Mexico)

    2014-05-20

    Using the data obtained previously from Fabry-Perot interferometry, we study the orbital characteristics of the interacting pair of galaxies KPG 302 with the aim to estimate a possible interaction history, the conditions necessary for the spiral arm formation, and initial satellite mass. We found by performing N-body/smoothed particle hydrodynamics simulations of the interaction that a single passage can produce a grand design spiral pattern in less than 1 Gyr. Although we reproduce most of the features with the single passage, the required satellite to host mass ratio should be ∼1:5, which is not confirmed by the dynamical mass estimate made from the measured rotation curve. We conclude that a more realistic interaction scenario would require several passages in order to explain the mass ratio discrepancy.

  11. An interaction scenario of the galaxy pair NGC 3893/96 (KPG 302). A single passage?

    CERN Document Server

    Gabbasov, R F; Klapp, J

    2014-01-01

    Using the data obtained previously from Fabry-Perot interferometry, we study the orbital characteristics of the interacting pair of galaxies KPG 302 with the aim to estimate a possible interaction history, the conditions necessary for the spiral arms formation and initial satellite mass. We found by performing N-body/SPH simulations of the interaction that a single passage can produce a grand design spiral pattern in less than 1 Gyr. Althought we reproduce most of the features with the single passage, the required satellite to host mass ratio should be 1:5, which is not confirmed with the dynamical mass estimate made from the measured rotation curve. We conclude that a more realistic interaction scenario would require several passages in order to explain the mass ratio discrepancy.

  12. Inheritance of Polycomb-dependent chromosomal interactions in Drosophila

    Science.gov (United States)

    Bantignies, Frédéric; Grimaud, Charlotte; Lavrov, Sergey; Gabut, Mathieu; Cavalli, Giacomo

    2003-01-01

    Maintenance of cell identity is a complex task that involves multiple layers of regulation, acting at all levels of chromatin packaging, from nucleosomes to folding of chromosomal domains in the cell nucleus. Polycomb-group (PcG) and trithorax-group (trxG) proteins maintain memory of chromatin states through binding at cis-regulatory elements named PcG response elements or cellular memory modules. Fab-7 is a well-defined cellular memory module involved in regulation of the homeotic gene Abdominal-B (Abd-B). In addition to its action in cis, we show here by three-dimensional FISH that the Fab-7 element leads to association of transgenes with each other or with the endogenous Fab-7, even when inserted in different chromosomes. These long-distance interactions enhance PcG-mediated silencing. They depend on PcG proteins, on DNA sequence homology, and on developmental progression. Once long-distance pairing is abolished by removal of the endogenous Fab-7, the derepressed chromatin state induced at the transgene locus can be transmitted through meiosis into a large fraction of the progeny, even after reintroduction of the endogenous Fab-7. Strikingly, meiotic inheritance of the derepressed state involves loss of pairing between endogenous and transgenic Fab-7. This suggests that transmission of nuclear architecture through cell division might contribute to inheritance of chromatin states in eukaryotes. PMID:14522946

  13. Association of ADH and ALDH Genes With Alcohol Dependence in the Irish Affected Sib Pair Study of Alcohol Dependence (IASPSAD) Sample

    Science.gov (United States)

    Kuo, Po-Hsiu; Kalsi, Gursharan; Prescott, Carol A.; Hodgkinson, Colin A.; Goldman, David; van den Oord, Edwin J.; Alexander, Jeffry; Jiang, Cizhong; Sullivan, Patrick F.; Patterson, Diana G.; Walsh, Dermot; Kendler, Kenneth S.; Riley, Brien P.

    2008-01-01

    Background: The genes coding for ethanol metabolism enzymes [alcohol dehydrogenase (ADH) and aldehyde dehydrogenase (ALDH)] have been widely studied for their influence on the risk to develop alcohol dependence (AD). However, the relation between polymorphisms of these metabolism genes and AD in Caucasian subjects has not been clearly established. The present study examined evidence for the association of alcohol metabolism genes with AD in the Irish Affected Sib Pair Study of alcohol dependence. Methods: We conducted a case–control association study with 575 independent subjects who met Diagnostic and Statistical Manual of Mental Disorders, 4th Edition, AD diagnosis and 530 controls. A total of 77 single nucleotide polymorphisms (SNPs) in the seven ADH (ADH1-7) and two ALDH genes (ALDH1A1 and ALDH2) were genotyped using the Illumina GoldenGate protocols. Several statistical procedures were implemented to control for false discoveries. Results: All markers with minor allele frequency greater than 0.01 were in Hardy–Weinberg equilibrium. Numerous SNPs in ADH genes showed association with AD, including one marker in the coding region of ADH1C (rs1693482 in exon6, Ile271Gln). Haplotypic association was observed in the ADH5 and ADH1C genes, and in a long haplotype block formed by the ADH1A and ADH1B loci. We detected two significant interactions between pairs of markers in intron 6 of ADH6 and intron 12 of ALDH2 (p = 5 × 10−5), and 5′ of both ADH4 and ADH1A (p = 2 × 10−4). Conclusion: We found evidence for the association of several ADH genes with AD in a sample of Western European origin. The significant interaction effects between markers in ADH and ALDH genes suggest possible epistatic roles between alcohol metabolic enzymes in the risk for AD. PMID:18331377

  14. Orbital Dependent Nucleonic Pairing in the Lightest Known Isotopes of Tin

    Science.gov (United States)

    Darby, I. G.; Grzywacz, R. K.; Batchelder, J. C.; Bingham, C. R.; Cartegni, L.; Gross, C. J.; Hjorth-Jensen, M.; Joss, D. T.; Liddick, S. N.; Nazarewicz, W.; Padgett, S.; Page, R. D.; Papenbrock, T.; Rajabali, M. M.; Rotureau, J.; Rykaczewski, K. P.

    2010-10-01

    By studying the Xe109→Te105→Sn101 superallowed α-decay chain, we observe low-lying states in Sn101, the one-neutron system outside doubly magic Sn100. We find that the spins of the ground state (J=7/2) and first excited state (J=5/2) in Sn101 are reversed with respect to the traditional level ordering postulated for Sn103 and the heavier tin isotopes. Through simple arguments and state-of-the-art shell-model calculations we explain this unexpected switch in terms of a transition from the single-particle regime to the collective mode in which orbital-dependent pairing correlations dominate.

  15. Orbital dependent nucleonic pairing in the lightest known isotopes of tin

    CERN Document Server

    Darby, Iain G; Batchelder, Jon C; Bingham, Carrol R; Cartegni, Lucia; Gross, Carl J; Hjorth-Jensen, Morten; Joss, David T; Liddick, Sean N; Nazarewicz, Witold; Padgett, Stephen; Page, Robert D; Papenbrock, Thomas; Rajabali, Mustafa M; Rotureau, Jimmy; Rykaczewski, Krzysztof P

    2010-01-01

    By studying the 109Xe-->105Te-->101Sn superallowed alpha-decay chain, we observe low-lying states in 101Sn, the one-neutron system outside doubly magic 100Sn. We find that the spins of the ground state (J = 7=2) and first excited state (J = 5=2) in 101Sn are reversed with respect to the traditional level ordering postulated for 103Sn and the heavier tin isotopes. Through simple arguments and state-of-the-art shell model calculations we explain this unexpected switch in terms of a transition from the single-particle regime to the collective mode in which orbital-dependent pairing correlations, dominate.

  16. Detecting dependencies between spike trains of pairs of neurons through copulas

    DEFF Research Database (Denmark)

    Sacerdote, Laura; Tamborrino, Massimiliano; Zucca, Cristina

    2011-01-01

    The dynamics of a neuron are influenced by the connections with the network where it lies. Recorded spike trains exhibit patterns due to the interactions between neurons. However, the structure of the network is not known. A challenging task is to investigate it from the analysis of simultaneously...... recorded spike trains. We develop a non-parametric method based on copulas, that we apply to simulated data according to different bivariate Leaky In- tegrate and Fire models. The method discerns dependencies determined by the surround- ing network, from those determined by direct interactions between...

  17. Pair interactions in polyelectrolyte-nanoparticle systems: Influence of dielectric inhomogeneities and the partial dissociation of polymers and nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Pryamitsyn, Victor [Department of Chemical Engineering, University of Texas at Austin, Austin, Texas 78712 (United States); Ganesan, Venkat, E-mail: venkat@che.utexas.edu [Department of Chemical Engineering and Institute for Computational and Engineering Sciences, University of Texas at Austin, Austin, Texas 78712 (United States)

    2015-10-28

    We study the effective pair interactions between two charged spherical particles in polyelectrolyte solutions using polymer self-consistent field theory. In a recent study [V. Pryamitsyn and V. Ganesan, Macromolecules 47, 6095 (2015)], we considered a model in which the particles possess fixed charge density, the polymers contain a prespecified amount of dissociated charges and, the dielectric constant of the solution was assumed to be homogeneous in space and independent of the polymer concentration. In this article, we present results extending our earlier model to study situations in which either or both the particle and the polymers possess partially dissociable groups. Additionally, we also consider the case when the dielectric constant of the solution depends on the local concentration of the polymers and when the particle’s dielectric constant is lower than that of the solvent. For each case, we quantify the polymer-mediated interactions between the particles as a function of the polymer concentrations and the degree of dissociation of the polymer and particles. Consistent with the results of our previous study, we observe that the polymer-mediated interparticle interactions consist of a short-range attraction and a long-range repulsion. The partial dissociablity of the polymer and particles was seen to have a strong influence on the strength of the repulsive portion of the interactions. Rendering the dielectric permittivity to be inhomogeneous has an even stronger effect on the repulsive interactions and results in changes to the qualitative nature of interactions in some parametric ranges.

  18. Discovery of a transparent sightline at {\\rho} < 20 kpc from an interacting pair of galaxies

    CERN Document Server

    Johnson, Sean D; Mulchaey, John S; Tripp, Todd M; Prochaska, J Xavier; Werk, Jessica K

    2013-01-01

    We report the discovery of a transparent sightline at projected distances of {\\rho} < 20 kpc to an interacting pair of mature galaxies at z = 0.12. The sightline of the UV-bright quasar PG1522+101 at z = 1.328 passes at {\\rho} = 11.5 kpc from the higher-mass galaxy (M_* = 10^10.6 M_Sun) and {\\rho} = 20.4 kpc from the lower-mass one (M_* = 10^10.0 M_Sun). The two galaxies are separated by 9 kpc in projected distance and 30 km/s in line-of-sight velocity. Deep optical images reveal tidal features indicative of close interactions. Despite the small projected distances, the quasar sightline shows little absorption associated with the galaxy pair with a total HI column density it no greater than log N(HI) = 13.65. This limiting HI column density is already two orders-of-magnitude less than what is expected from previous halo gas studies. In addition, we detect no heavy-element absorption features associated with the galaxy pair with 3-{\\sigma} limits of log N(MgII) < 12.2 and log N(OVI) < 13.7. The probab...

  19. Dynamics of a spiral pair source and its interaction with plane waves.

    Science.gov (United States)

    Rabinovitch, A; Biton, Y; Gutman, M; Aviram, I

    2009-05-01

    Spiral pair creation and dynamics is a widely occurring phenomenon in nature. It can appear in the heart tissue, causing severe arrhythmia, known as a figure-eight reentry. We consider the appearance of a spiral pair source, its minimal strength for survival, and the possible results of its interaction with a plane wave. In particular, its ability to outlast such an encounter is of interest. We also consider the question of exposing the source to a train of pulses, in terms of the frequency and angle of encounter. Results show different regimes of behavior, e.g. source annihilation, motion of the source away from, or towards the origin of the plane waves, its breaking and multiplication. Relevance of these results to heart arrhythmia and their possible cancellation by external pacing are briefly discussed.

  20. Extended Fluid-Dynamics and Collective Motion of Two Trapped Fermion Species with Pairing Interactions

    Science.gov (United States)

    Hernández, E. S.; Capuzzi, P.; Szybisz, L.

    2011-02-01

    We extend our earlier fluid-dynamical description of fermion superfluids incorporating the particle energy flow together with the equation of motion for the internal kinetic energy of the pairs. The formal scheme combines a set of equations similar to those of classical hydrodynamics with the equations of motion for the anomalous density and for its related momentum density and kinetic energy density. This dynamical frame represents a second order truncation of an infinite hierarchy of equations of motion isomorphic to the full time dependent Hartree-Fock-Bogoliubov equations in coordinate representation. We analyze the equilibrium solutions and fluctuations for a homogeneous, unpolarized fermion system of two species, and show that the collective spectrum presents the well-known Anderson-Bogoliubov low energy mode of homogeneous superfluids and a pairing vibration near the gap energy.

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

    Science.gov (United States)

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

    2015-10-21

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

  2. Quantitative determination of pairing interactions for high-temperature superconductivity in cuprates.

    Science.gov (United States)

    Bok, Jin Mo; Bae, Jong Ju; Choi, Han-Yong; Varma, Chandra M; Zhang, Wentao; He, Junfeng; Zhang, Yuxiao; Yu, Li; Zhou, X J

    2016-03-01

    A profound problem in modern condensed matter physics is discovering and understanding the nature of fluctuations and their coupling to fermions in cuprates, which lead to high-temperature superconductivity and the invariably associated strange metal state. We report the quantitative determination of normal and pairing self-energies, made possible by laser-based angle-resolved photoemission measurements of unprecedented accuracy and stability. Through a precise inversion procedure, both the effective interactions in the attractive d-wave symmetry and the repulsive part in the full symmetry are determined. The latter is nearly angle-independent. Near T c, both interactions are nearly independent of frequency and have almost the same magnitude over the complete energy range of up to about 0.4 eV, except for a low-energy feature at around 50 meV that is present only in the repulsive part, which has less than 10% of the total spectral weight. Well below T c, they both change similarly, with superconductivity-induced features at low energies. Besides finding the pairing self-energy and the attractive interactions for the first time, these results expose the central paradox of the problem of high T c: how the same frequency-independent fluctuations can dominantly scatter at angles ±π/2 in the attractive channel to give d-wave pairing and lead to angle-independent repulsive scattering. The experimental results are compared with available theoretical calculations based on antiferromagnetic fluctuations, the Hubbard model, and quantum-critical fluctuations of the loop-current order.

  3. Symbolic-numerical algorithm for generating cluster eigenfunctions: identical particles with pair oscillator interactions

    CERN Document Server

    Gusev, Alexander; Chuluunbaatar, Ochbadrakh; Rostovtsev, Vitaly; Hai, Luong Le; Derbov, Vladimir; Gozdz, Andrzej; Klimov, Evgenii

    2013-01-01

    The quantum model of a cluster, consisting of A identical particles, coupled by the internal pair interactions and affected by the external field of a target, is considered. A symbolic-numerical algorithm for generating A-1-dimensional oscillator eigenfunctions, symmetric or antisymmetric with respect to permutations of A identical particles in the new symmetrized coordinates, is formulated and implemented using the MAPLE computer algebra system. Examples of generating the symmetrized coordinate representation for A-1 dimensional oscillator functions in one-dimensional Euclidean space are analyzed. The approach is aimed at solving the problem of tunnelling the clusters, consisting of several identical particles, through repulsive potential barriers of a target.

  4. Quantum Entropy of a Single Cooper-Pair Box Interacting with Two Electromagnetic Fields

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    A Hamiltonian which represents the interaction between a single Cooper-pair box and two quantized electromagnetic fields is considered in order to find new ways for quantum information. The wave function in Schrdinger picture is obtained. The evolution of the entropy of the box as a function of the scaled time is ploted to measure the entanglement between the box and the fields. It is found that the entanglement is sensitive to the detuning between the Josephson energy and the fields frequency, increasing the detuning can decrease the entanglement.

  5. An integrable case of the p + ip pairing Hamiltonian interacting with its environment

    Science.gov (United States)

    Lukyanenko, Inna; Isaac, Phillip S.; Links, Jon

    2016-02-01

    We consider a generalization of the p + ip pairing Hamiltonian, with external interaction terms of a particular form. These terms allow for the exchange of particles between the system and its environment. As a result the {u}(1) symmetry associated with conservation of particle number, present in the p + ip Hamiltonian, is broken. Nonetheless the generalized model is integrable. We establish integrability using the boundary quantum inverse scattering method, with one of the reflection matrices chosen to be non-diagonal. We also derive the corresponding Bethe ansatz equations, the roots of which parametrize the exact solution for the energy spectrum.

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

    Science.gov (United States)

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

    2015-05-01

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

  7. Translationally invariant treatment of pair correlations in nuclei; 1, spin and isospin dependent correlations

    CERN Document Server

    Guardiola, R; Navarro, J; Bishop, R F; Puente, A; Walet, N R; Walet, Niels R.

    1996-01-01

    We study the extension of our translationally invariant treatment of few-body nuclear systems to heavier nuclei. At the same time we also introduce state-dependent correlation operators. Our techniques are tailored to those nuclei that can be dealt with in $LS$ coupling, which includes all nuclei up to the shell closure at $A=40$. We study mainly $p$-shell nuclei in this paper. A detailed comparison with other microscopic many-body approaches is made, using a variety of schematic nuclear interactions. It is shown that our methodology produces very good energies, and presumably also wave functions, for medium mass nuclei.

  8. Enhancing the prediction of protein pairings between interacting families using orthology information

    Directory of Open Access Journals (Sweden)

    Pazos Florencio

    2008-01-01

    Full Text Available Abstract Background It has repeatedly been shown that interacting protein families tend to have similar phylogenetic trees. These similarities can be used to predicting the mapping between two families of interacting proteins (i.e. which proteins from one family interact with which members of the other. The correct mapping will be that which maximizes the similarity between the trees. The two families may eventually comprise orthologs and paralogs, if members of the two families are present in more than one organism. This fact can be exploited to restrict the possible mappings, simply by impeding links between proteins of different organisms. We present here an algorithm to predict the mapping between families of interacting proteins which is able to incorporate information regarding orthologues, or any other assignment of proteins to "classes" that may restrict possible mappings. Results For the first time in methods for predicting mappings, we have tested this new approach on a large number of interacting protein domains in order to statistically assess its performance. The method accurately predicts around 80% in the most favourable cases. We also analysed in detail the results of the method for a well defined case of interacting families, the sensor and kinase components of the Ntr-type two-component system, for which up to 98% of the pairings predicted by the method were correct. Conclusion Based on the well established relationship between tree similarity and interactions we developed a method for predicting the mapping between two interacting families using genomic information alone. The program is available through a web interface.

  9. Human interaction as environmental enrichment for pair-housed wolves and wolf-dog crosses.

    Science.gov (United States)

    Mehrkam, Lindsay R; Verdi, Nicolle T; Wynne, Clive D L

    2014-01-01

    Private nonhuman animal sanctuaries are often financially limited in their ability to implement traditional environmental enrichment strategies. One possible solution may be to provide socialized animals with human interaction sessions. However, the merit of human interaction as enrichment has received little empirical attention to date. The present study aimed to evaluate whether human interaction could be enriching for socialized, pair-housed wolves and wolf-dog crosses at a private sanctuary. Observations of each subject were conducted in a reversal design to measure species-typical affiliation, activity levels, and aberrant behaviors when caretakers were both present and absent. The results demonstrate significantly higher levels of conspecific-directed affiliation and activity levels and reduced aberrant behavior when human interaction was available. Social play also increased when caregivers were present, supporting the hypothesis that play among conspecifics may be maintained by positive changes in an animal's environment. The potential for human interaction to be established as a scientifically validated, cost-effective enrichment strategy is supported by these findings.

  10. Interaction effects on galaxy pairs with Gemini/GMOS- III: stellar population synthesis

    Science.gov (United States)

    Krabbe, A. C.; Rosa, D. A.; Pastoriza, M. G.; Hägele, G. F.; Cardaci, M. V.; Dors, O. L., Jr.; Winge, C.

    2017-05-01

    We present an observational study of the impacts of interactions on the stellar population in a sample of galaxy pairs. Long-slit spectra in the wavelength range 3440-7300 Å obtained with the Gemini Multi-Object Spectrograph (GMOS) at Gemini South for 15 galaxies in nine close pairs were used. The spatial distributions of the stellar population contributions were obtained using the stellar population synthesis code starlight. Taking into account the different contributions to the emitted light, we found that most of the galaxies in our sample are dominated by young/intermediate stellar populations. This result differs from the one derived for isolated galaxies, where the old stellar population dominates the disc surface brightness. We interpreted such different behaviour as being due to the effect of gas inflows along the discs of interacting galaxies on the star formation over a time-scale of the order of about 2 Gyr. We also found that, in general, the secondary galaxy of a pair has a higher contribution from the young stellar population than the primary one. We compared the estimated values of stellar and nebular extinction derived from the synthesis method and the Hα/Hβ emission-line ratio, finding that nebular extinctions are systematically higher than stellar ones by about a factor of 2. We did not find any correlation between nebular and stellar metallicities. Neither did we find a correlation between stellar metallicities and ages, while a positive correlation between nebular metallicities and stellar ages was obtained, with older regions being the most metal-rich.

  11. The isolated interacting galaxy pair NGC 5426/27 (Arp 271)

    CERN Document Server

    Fuentes-Carrera, I; Amram, P; Dultzin-Hacyan, D; Cruz-Gonzalez, I; Salo, H; Laurikainen, E; Bernal, A; Ambrocio-Cruz, P; Le Coarer, E

    2003-01-01

    We present H alpha observations of the isolated interacting galaxy pair NGC 5426/27 using the scanning Fabry-Perot interferometer PUMA. The velocity field, various kinematical parameters and rotation curve for each galaxy were derived. The FWHM map and the residual velocities map were also computed to study the role of non-circular motions of the gas. Most of these motions can be associated with the presence of spiral arms and structure such as central bars. We found a small bar-like structure in NGC 5426, a distorted velocity field for NGC 5427 and a bridge-like feature between both galaxies which seems to be associated with NGC 5426. Using the observed rotation curves, a range of possible masses was computed for each galaxy. These were compared with the orbital mass of the pair derived from the relative motion of the participants. The rotation curve of each galaxy was also used to fit different mass distribution models considering the most common theoretical dark halo models. An analysis of the interaction ...

  12. Pulsational Pair-instability Model for Superluminous Supernova PTF12dam: Interaction and Radioactive Decay

    Science.gov (United States)

    Tolstov, Alexey; Nomoto, Ken’ichi; Blinnikov, Sergei; Sorokina, Elena; Quimby, Robert; Baklanov, Petr

    2017-02-01

    Being a superluminous supernova, PTF12dam can be explained by a 56Ni-powered model, a magnetar-powered model, or an interaction model. We propose that PTF12dam is a pulsational pair-instability supernova, where the outer envelope of a progenitor is ejected during the pulsations. Thus, it is powered by a double energy source: radioactive decay of 56Ni and a radiative shock in a dense circumstellar medium. To describe multicolor light curves and spectra, we use radiation-hydrodynamics calculations of the STELLA code. We found that light curves are well described in the model with 40 M⊙ ejecta and 20–40 M⊙ circumstellar medium. The ejected 56Ni mass is about 6 M⊙, which results from explosive nucleosynthesis with large explosion energy (2–3) × 1052 erg. In comparison with alternative scenarios of pair-instability supernova and magnetar-powered supernova, in the interaction model, all the observed main photometric characteristics are well reproduced: multicolor light curves, color temperatures, and photospheric velocities.

  13. Open-shell pair interaction energy decomposition analysis (PIEDA): formulation and application to the hydrogen abstraction in tripeptides.

    Science.gov (United States)

    Green, Mandy C; Fedorov, Dmitri G; Kitaura, Kazuo; Francisco, Joseph S; Slipchenko, Lyudmila V

    2013-02-21

    An open-shell extension of the pair interaction energy decomposition analysis (PIEDA) within the framework of the fragment molecular orbital (FMO) method is developed. The open-shell PIEDA method allows the analysis of inter- and intramolecular interactions in terms of electrostatic, exchange-repulsion, charge-transfer, dispersion, and optional polarization energies for molecular systems with a radical or high-spin fragment. Taking into account the low computational cost and scalability of the FMO and PIEDA methods, the new scheme provides a means to characterize the stabilization of radical and open-shell sites in biologically relevant species. The open-shell PIEDA is applied to the characterization of intramolecular interactions in capped trialanine upon hydrogen abstraction (HA) at various sites on the peptide. Hydrogen abstraction reaction is the first step in the oxidative pathway initiated by reactive oxygen or nitrogen species, associated with oxidative stress. It is found that HA results in significant geometrical reorganization of the trialanine peptide. Depending on the HA site, terminal interactions in the radical fold conformers may become weaker or stronger compared to the parent molecule, and often change the character of the non-covalent bonding from amide stacking to hydrogen bonding.

  14. Search for pair production of strongly interacting particles decaying to pairs of jets in pp collisions at √s=1.96 TeV.

    Science.gov (United States)

    Aaltonen, T; Albin, E; Amerio, S; Amidei, D; Anastassov, A; Annovi, A; Antos, J; Apollinari, G; Appel, J A; Arisawa, T; Artikov, A; Asaadi, J; Ashmanskas, W; Auerbach, B; Aurisano, A; Azfar, F; Badgett, W; Bae, T; Barbaro-Galtieri, A; Barnes, V E; Barnett, B A; Barria, P; Bartos, P; Bauce, M; Bedeschi, F; Behari, S; Bellettini, G; Bellinger, J; Benjamin, D; Beretvas, A; Bhatti, A; Bland, K R; Blumenfeld, B; Bocci, A; Bodek, A; Bortoletto, D; Boudreau, J; Boveia, A; Brigliadori, L; Bromberg, C; Brucken, E; Budagov, J; Budd, H S; Burkett, K; Busetto, G; Bussey, P; Butti, P; Buzatu, A; Calamba, A; Camarda, S; Campanelli, M; Canelli, F; Carls, B; Carlsmith, D; Carosi, R; Carrillo, S; Casal, B; Casarsa, M; Castro, A; Catastini, P; Cauz, D; Cavaliere, V; Cavalli-Sforza, M; Cerri, A; Cerrito, L; Chen, Y C; Chertok, M; Chiarelli, G; Chlachidze, G; Cho, K; Chokheli, D; Ciocci, M A; Clark, A; Clarke, C; Convery, M E; Conway, J; Corbo, M; Cordelli, M; Cox, C A; Cox, D J; Cremonesi, M; Cruz, D; Cuevas, J; Culbertson, R; d'Ascenzo, N; Datta, M; De Barbaro, P; Demortier, L; Deninno, M; Devoto, F; d'Errico, M; Di Canto, A; Di Ruzza, B; Dittmann, J R; D'Onofrio, M; Donati, S; Dorigo, M; Driutti, A; Ebina, K; Edgar, R; Elagin, A; Erbacher, R; Errede, S; Esham, B; Eusebi, R; Farrington, S; Fernández Ramos, J P; Field, R; Flanagan, G; Forrest, R; Franklin, M; Freeman, J C; Frisch, H; Funakoshi, Y; Garfinkel, A F; Garosi, P; Gerberich, H; Gerchtein, E; Giagu, S; Giakoumopoulou, V; Gibson, K; Ginsburg, C M; Giokaris, N; Giromini, P; Giurgiu, G; Glagolev, V; Glenzinski, D; Gold, M; Goldin, D; Golossanov, A; Gomez, G; Gomez-Ceballos, G; Goncharov, M; González López, O; Gorelov, I; Goshaw, A T; Goulianos, K; Gramellini, E; Grinstein, S; Grosso-Pilcher, C; Group, R C; Guimaraes da Costa, J; Hahn, S R; Han, J Y; Happacher, F; Hara, K; Hare, M; Harr, R F; Harrington-Taber, T; Hatakeyama, K; Hays, C; Heinrich, J; Herndon, M; Hocker, A; Hong, Z; Hopkins, W; Hou, S; Hughes, R E; Husemann, U; Hussein, M; Huston, J; Introzzi, G; Iori, M; Ivanov, A; James, E; Jang, D; Jayatilaka, B; Jeon, E J; Jindariani, S; Jones, M; Joo, K K; Jun, S Y; Junk, T R; Kambeitz, M; Kamon, T; Karchin, P E; Kasmi, A; Kato, Y; Ketchum, W; Keung, J; Kilminster, B; Kim, D H; Kim, H S; Kim, J E; Kim, M J; Kim, S B; Kim, S H; Kim, Y K; Kim, Y J; Kimura, N; Kirby, M; Knoepfel, K; Kondo, K; Kong, D J; Konigsberg, J; Kotwal, A V; Kreps, M; Kroll, J; Kruse, M; Kuhr, T; Kurata, M; Laasanen, A T; Lammel, S; Lancaster, M; Lannon, K; Latino, G; Lee, H S; Lee, J S; Leo, S; Leone, S; Lewis, J D; Limosani, A; Lipeles, E; Liu, H; Liu, Q; Liu, T; Lockwitz, S; Loginov, A; Lucchesi, D; Lueck, J; Lujan, P; Lukens, P; Lungu, G; Lys, J; Lysak, R; Madrak, R; Maestro, P; Malik, S; Manca, G; Manousakis-Katsikakis, A; Margaroli, F; Marino, P; Martínez, M; Matera, K; Mattson, M E; Mazzacane, A; Mazzanti, P; McNulty, R; Mehta, A; Mehtala, P; Mesropian, C; Miao, T; Mietlicki, D; Mitra, A; Miyake, H; Moed, S; Moggi, N; Moon, C S; Moore, R; Morello, M J; Mukherjee, A; Muller, Th; Murat, P; Mussini, M; Nachtman, J; Nagai, Y; Naganoma, J; Nakano, I; Napier, A; Nett, J; Neu, C; Nigmanov, T; Nodulman, L; Noh, S Y; Norniella, O; Oakes, L; Oh, S H; Oh, Y D; Oksuzian, I; Okusawa, T; Orava, R; Ortolan, L; Pagliarone, C; Palencia, E; Palni, P; Papadimitriou, V; Parker, W; Pauletta, G; Paulini, M; Paus, C; Phillips, T J; Piacentino, G; Pianori, E; Pilot, J; Pitts, K; Plager, C; Pondrom, L; Poprocki, S; Potamianos, K; Prokoshin, F; Pranko, A; Ptohos, F; Punzi, G; Ranjan, N; Redondo Fernández, I; Renton, P; Rescigno, M; Riddick, T; Rimondi, F; Ristori, L; Robson, A; Rodriguez, T; Rolli, S; Ronzani, M; Roser, R; Rosner, J L; Ruffini, F; Ruiz, A; Russ, J; Rusu, V; Safonov, A; Sakumoto, W K; Sakurai, Y; Santi, L; Sato, K; Saveliev, V; Savoy-Navarro, A; Schlabach, P; Schmidt, E E; Schwarz, T; Scodellaro, L; Scuri, F; Seidel, S; Seiya, Y; Semenov, A; Sforza, F; Shalhout, S Z; Shears, T; Shepard, P F; Shimojima, M; Shochet, M; Shreyber-Tecker, I; Simonenko, A; Sinervo, P; Sliwa, K; Smith, J R; Snider, F D; Sorin, V; Song, H; Stancari, M; St Denis, R; Stelzer, B; Stelzer-Chilton, O; Stentz, D; Strologas, J; Sudo, Y; Sukhanov, A; Suslov, I; Takemasa, K; Takeuchi, Y; Tang, J; Tecchio, M; Teng, P K; Thom, J; Thomson, E; Thukral, V; Toback, D; Tokar, S; Tollefson, K; Tomura, T; Tonelli, D; Torre, S; Torretta, D; Totaro, P; Trovato, M; Ukegawa, F; Uozumi, S; Vázquez, F; Velev, G; Vellidis, C; Vernieri, C; Vidal, M; Vilar, R; Vizán, J; Vogel, M; Volpi, G; Wagner, P; Wallny, R; Wang, S M; Warburton, A; Waters, D; Wester, W C; Whiteson, D; Wicklund, A B; Wilbur, S; Williams, H H; Wilson, J S; Wilson, P; Winer, B L; Wittich, P; Wolbers, S; Wolfe, H; Wright, T; Wu, X; Wu, Z; Yamamoto, K; Yamato, D; Yang, T; Yang, U K; Yang, Y C; Yao, W-M; Yeh, G P; Yi, K; Yoh, J; Yorita, K; Yoshida, T; Yu, G B; Yu, I; Zanetti, A M; Zeng, Y; Zhou, C; Zucchelli, S

    2013-07-19

    We present a search for the pair production of a narrow nonstandard-model strongly interacting particle that decays to a pair of quarks or gluons, leading to a final state with four hadronic jets. We consider both nonresonant production via an intermediate gluon as well as resonant production via a distinct nonstandard-model intermediate strongly interacting particle. We use data collected by the CDF experiment in proton-antiproton collisions at √[s]=1.96 TeV corresponding to an integrated luminosity of 6.6 fb(-1). We find the data to be consistent with nonresonant production. We report limits on σ(pp[over ¯]→jjjj) as a function of the masses of the hypothetical intermediate particles. Upper limits on the production cross sections for nonstandard-model particles in several resonant and nonresonant processes are also derived.

  15. Search for Pair Production of Strongly Interacting Particles Decaying to Pairs of Jets in pp¯ Collisions at s=1.96TeV

    Science.gov (United States)

    Aaltonen, T.; Albin, E.; Amerio, S.; Amidei, D.; Anastassov, A.; Annovi, A.; Antos, J.; Apollinari, G.; Appel, J. A.; Arisawa, T.; Artikov, A.; Asaadi, J.; Ashmanskas, W.; Auerbach, B.; Aurisano, A.; Azfar, F.; Badgett, W.; Bae, T.; Barbaro-Galtieri, A.; Barnes, V. E.; Barnett, B. A.; Barria, P.; Bartos, P.; Bauce, M.; Bedeschi, F.; Behari, S.; Bellettini, G.; Bellinger, J.; Benjamin, D.; Beretvas, A.; Bhatti, A.; Bland, K. R.; Blumenfeld, B.; Bocci, A.; Bodek, A.; Bortoletto, D.; Boudreau, J.; Boveia, A.; Brigliadori, L.; Bromberg, C.; Brucken, E.; Budagov, J.; Budd, H. S.; Burkett, K.; Busetto, G.; Bussey, P.; Butti, P.; Buzatu, A.; Calamba, A.; Camarda, S.; Campanelli, M.; Canelli, F.; Carls, B.; Carlsmith, D.; Carosi, R.; Carrillo, S.; Casal, B.; Casarsa, M.; Castro, A.; Catastini, P.; Cauz, D.; Cavaliere, V.; Cavalli-Sforza, M.; Cerri, A.; Cerrito, L.; Chen, Y. C.; Chertok, M.; Chiarelli, G.; Chlachidze, G.; Cho, K.; Chokheli, D.; Ciocci, M. A.; Clark, A.; Clarke, C.; Convery, M. E.; Conway, J.; Corbo, M.; Cordelli, M.; Cox, C. A.; Cox, D. J.; Cremonesi, M.; Cruz, D.; Cuevas, J.; Culbertson, R.; d'Ascenzo, N.; Datta, M.; De Barbaro, P.; Demortier, L.; Deninno, M.; Devoto, F.; d'Errico, M.; Di Canto, A.; Di Ruzza, B.; Dittmann, J. R.; D'Onofrio, M.; Donati, S.; Dorigo, M.; Driutti, A.; Ebina, K.; Edgar, R.; Elagin, A.; Erbacher, R.; Errede, S.; Esham, B.; Eusebi, R.; Farrington, S.; Fernández Ramos, J. P.; Field, R.; Flanagan, G.; Forrest, R.; Franklin, M.; Freeman, J. C.; Frisch, H.; Funakoshi, Y.; Garfinkel, A. F.; Garosi, P.; Gerberich, H.; Gerchtein, E.; Giagu, S.; Giakoumopoulou, V.; Gibson, K.; Ginsburg, C. M.; Giokaris, N.; Giromini, P.; Giurgiu, G.; Glagolev, V.; Glenzinski, D.; Gold, M.; Goldin, D.; Golossanov, A.; Gomez, G.; Gomez-Ceballos, G.; Goncharov, M.; González López, O.; Gorelov, I.; Goshaw, A. T.; Goulianos, K.; Gramellini, E.; Grinstein, S.; Grosso-Pilcher, C.; Group, R. C.; Guimaraes da Costa, J.; Hahn, S. R.; Han, J. Y.; Happacher, F.; Hara, K.; Hare, M.; Harr, R. F.; Harrington-Taber, T.; Hatakeyama, K.; Hays, C.; Heinrich, J.; Herndon, M.; Hocker, A.; Hong, Z.; Hopkins, W.; Hou, S.; Hughes, R. E.; Husemann, U.; Hussein, M.; Huston, J.; Introzzi, G.; Iori, M.; Ivanov, A.; James, E.; Jang, D.; Jayatilaka, B.; Jeon, E. J.; Jindariani, S.; Jones, M.; Joo, K. K.; Jun, S. Y.; Junk, T. R.; Kambeitz, M.; Kamon, T.; Karchin, P. E.; Kasmi, A.; Kato, Y.; Ketchum, W.; Keung, J.; Kilminster, B.; Kim, D. H.; Kim, H. S.; Kim, J. E.; Kim, M. J.; Kim, S. B.; Kim, S. H.; Kim, Y. K.; Kim, Y. J.; Kimura, N.; Kirby, M.; Knoepfel, K.; Kondo, K.; Kong, D. J.; Konigsberg, J.; Kotwal, A. V.; Kreps, M.; Kroll, J.; Kruse, M.; Kuhr, T.; Kurata, M.; Laasanen, A. T.; Lammel, S.; Lancaster, M.; Lannon, K.; Latino, G.; Lee, H. S.; Lee, J. S.; Leo, S.; Leone, S.; Lewis, J. D.; Limosani, A.; Lipeles, E.; Liu, H.; Liu, Q.; Liu, T.; Lockwitz, S.; Loginov, A.; Lucchesi, D.; Lueck, J.; Lujan, P.; Lukens, P.; Lungu, G.; Lys, J.; Lysak, R.; Madrak, R.; Maestro, P.; Malik, S.; Manca, G.; Manousakis-Katsikakis, A.; Margaroli, F.; Marino, P.; Martínez, M.; Matera, K.; Mattson, M. E.; Mazzacane, A.; Mazzanti, P.; McNulty, R.; Mehta, A.; Mehtala, P.; Mesropian, C.; Miao, T.; Mietlicki, D.; Mitra, A.; Miyake, H.; Moed, S.; Moggi, N.; Moon, C. S.; Moore, R.; Morello, M. J.; Mukherjee, A.; Muller, Th.; Murat, P.; Mussini, M.; Nachtman, J.; Nagai, Y.; Naganoma, J.; Nakano, I.; Napier, A.; Nett, J.; Neu, C.; Nigmanov, T.; Nodulman, L.; Noh, S. Y.; Norniella, O.; Oakes, L.; Oh, S. H.; Oh, Y. D.; Oksuzian, I.; Okusawa, T.; Orava, R.; Ortolan, L.; Pagliarone, C.; Palencia, E.; Palni, P.; Papadimitriou, V.; Parker, W.; Pauletta, G.; Paulini, M.; Paus, C.; Phillips, T. J.; Piacentino, G.; Pianori, E.; Pilot, J.; Pitts, K.; Plager, C.; Pondrom, L.; Poprocki, S.; Potamianos, K.; Prokoshin, F.; Pranko, A.; Ptohos, F.; Punzi, G.; Ranjan, N.; Redondo Fernández, I.; Renton, P.; Rescigno, M.; Riddick, T.; Rimondi, F.; Ristori, L.; Robson, A.; Rodriguez, T.; Rolli, S.; Ronzani, M.; Roser, R.; Rosner, J. L.; Ruffini, F.; Ruiz, A.; Russ, J.; Rusu, V.; Safonov, A.; Sakumoto, W. K.; Sakurai, Y.; Santi, L.; Sato, K.; Saveliev, V.; Savoy-Navarro, A.; Schlabach, P.; Schmidt, E. E.; Schwarz, T.; Scodellaro, L.; Scuri, F.; Seidel, S.; Seiya, Y.; Semenov, A.; Sforza, F.; Shalhout, S. Z.; Shears, T.; Shepard, P. F.; Shimojima, M.; Shochet, M.; Shreyber-Tecker, I.; Simonenko, A.; Sinervo, P.; Sliwa, K.; Smith, J. R.; Snider, F. D.; Sorin, V.; Song, H.; Stancari, M.; Denis, R. St.; Stelzer, B.; Stelzer-Chilton, O.; Stentz, D.; Strologas, J.; Sudo, Y.; Sukhanov, A.; Suslov, I.; Takemasa, K.; Takeuchi, Y.; Tang, J.; Tecchio, M.; Teng, P. K.; Thom, J.; Thomson, E.; Thukral, V.; Toback, D.; Tokar, S.; Tollefson, K.; Tomura, T.; Tonelli, D.; Torre, S.; Torretta, D.; Totaro, P.; Trovato, M.; Ukegawa, F.; Uozumi, S.; Vázquez, F.; Velev, G.; Vellidis, C.; Vernieri, C.; Vidal, M.; Vilar, R.; Vizán, J.; Vogel, M.; Volpi, G.; Wagner, P.; Wallny, R.; Wang, S. M.; Warburton, A.; Waters, D.; Wester, W. C., III; Whiteson, D.; Wicklund, A. B.; Wilbur, S.; Williams, H. H.; Wilson, J. S.; Wilson, P.; Winer, B. L.; Wittich, P.; Wolbers, S.; Wolfe, H.; Wright, T.; Wu, X.; Wu, Z.; Yamamoto, K.; Yamato, D.; Yang, T.; Yang, U. K.; Yang, Y. C.; Yao, W.-M.; Yeh, G. P.; Yi, K.; Yoh, J.; Yorita, K.; Yoshida, T.; Yu, G. B.; Yu, I.; Zanetti, A. M.; Zeng, Y.; Zhou, C.; Zucchelli, S.

    2013-07-01

    We present a search for the pair production of a narrow nonstandard-model strongly interacting particle that decays to a pair of quarks or gluons, leading to a final state with four hadronic jets. We consider both nonresonant production via an intermediate gluon as well as resonant production via a distinct nonstandard-model intermediate strongly interacting particle. We use data collected by the CDF experiment in proton-antiproton collisions at s=1.96TeV corresponding to an integrated luminosity of 6.6fb-1. We find the data to be consistent with nonresonant production. We report limits on σ(pp¯→jjjj) as a function of the masses of the hypothetical intermediate particles. Upper limits on the production cross sections for nonstandard-model particles in several resonant and nonresonant processes are also derived.

  16. Identification of coupling DNA motif pairs on long-range chromatin interactions in human K562 cells

    KAUST Repository

    Wong, Ka-Chun

    2015-09-27

    Motivation: The protein-DNA interactions between transcription factors (TFs) and transcription factor binding sites (TFBSs, also known as DNA motifs) are critical activities in gene transcription. The identification of the DNA motifs is a vital task for downstream analysis. Unfortunately, the long-range coupling information between different DNA motifs is still lacking. To fill the void, as the first-of-its-kind study, we have identified the coupling DNA motif pairs on long-range chromatin interactions in human. Results: The coupling DNA motif pairs exhibit substantially higher DNase accessibility than the background sequences. Half of the DNA motifs involved are matched to the existing motif databases, although nearly all of them are enriched with at least one gene ontology term. Their motif instances are also found statistically enriched on the promoter and enhancer regions. Especially, we introduce a novel measurement called motif pairing multiplicity which is defined as the number of motifs that are paired with a given motif on chromatin interactions. Interestingly, we observe that motif pairing multiplicity is linked to several characteristics such as regulatory region type, motif sequence degeneracy, DNase accessibility and pairing genomic distance. Taken into account together, we believe the coupling DNA motif pairs identified in this study can shed lights on the gene transcription mechanism under long-range chromatin interactions. © The Author 2015. Published by Oxford University Press.

  17. Modeling the Dynamics of Interacting Galaxy Pairs - Testing Identikit Using GADGET SPH Simulations

    Science.gov (United States)

    Mortazavi, S. Alireza; Lotz, Jennifer; Barnes, Joshua E.

    2015-01-01

    We develop and test an automated technique to model the dynamics of interacting galaxy pairs. We use Identikit (Barnes & Hibbard 2009; Barnes 2011) as a tool for modeling and matching the morphology and kinematics of the interacting pairs of similar-size galaxies. In order to reduce the effect of subjective human interference, we automate the selection of phase-space regions used to match simulations to data, and we explore how selection of these regions affects the random uncertainties of parameters in the best-fit model. In this work, we used an independent set of GADGET SPH simulations as input data, so we determined the systematic bias in the measured encounter parameters based on the known initial conditions of these simulations. We tested both cold gas and young stellar components in the GADGET simulations to explore the effect of choosing HI vs. Hα as the line of sight velocity tracer. We found that we can group the results into tests with good, fair, and poor convergence based on the distribution of parameters of models close enough to the best-fit model. For tests with good and fair convergence, we ruled out large fractions of parameter space and recovered merger stage, eccentricity, viewing angle, and pericentric distance within 2σ of the correct value. All of tests on gaseous component of prograde systems had either good or fair convergence. Retrograde systems and most of tests on young stars had poor convergence and may require constraints from regions other than the tidal tails. In this work we also present WIYN SparsePak IFU data for a few interacting galaxies, and we show the result of applying our method on this data set.

  18. Evolutionarily conserved paired immunoglobulin-like receptor α (PILRα) domain mediates its interaction with diverse sialylated ligands.

    Science.gov (United States)

    Sun, Yonglian; Senger, Kate; Baginski, Tomasz K; Mazloom, Anita; Chinn, Yvonne; Pantua, Homer; Hamidzadeh, Kajal; Ramani, Sree Ranjani; Luis, Elizabeth; Tom, Irene; Sebrell, Andrew; Quinones, Gabriel; Ma, Yan; Mukhyala, Kiran; Sai, Tao; Ding, Jiabing; Haley, Benjamin; Shadnia, Hooman; Kapadia, Sharookh B; Gonzalez, Lino C; Hass, Philip E; Zarrin, Ali A

    2012-05-04

    Paired immunoglobulin-like receptor (PILR) α is an inhibitory receptor that recognizes several ligands, including mouse CD99, PILR-associating neural protein, and Herpes simplex virus-1 glycoprotein B. The physiological function(s) of interactions between PILRα and its cellular ligands are not well understood, as are the molecular determinants of PILRα/ligand interactions. To address these uncertainties, we sought to identify additional PILRα ligands and further define the molecular basis for PILRα/ligand interactions. Here, we identify two novel PILRα binding partners, neuronal differentiation and proliferation factor-1 (NPDC1), and collectin-12 (COLEC12). We find that sialylated O-glycans on these novel PILRα ligands, and on known PILRα ligands, are compulsory for PILRα binding. Sialylation-dependent ligand recognition is also a property of SIGLEC1, a member of the sialic acid-binding Ig-like lectins. SIGLEC1 Ig domain shares ∼22% sequence identity with PILRα, an identity that includes a conserved arginine localized to position 97 in mouse and human SIGLEC1, position 133 in mouse PILRα and position 126 in human PILRα. We observe that PILRα/ligand interactions require conserved PILRα Arg-133 (mouse) and Arg-126 (human), in correspondence with a previously reported requirement for SIGLEC1 Arg-197 in SIGLEC1/ligand interactions. Homology modeling identifies striking similarities between PILRα and SIGLEC1 ligand binding pockets as well as at least one set of distinctive interactions in the galactoxyl-binding site. Binding studies suggest that PILRα recognizes a complex ligand domain involving both sialic acid and protein motif(s). Thus, PILRα is evolved to engage multiple ligands with common molecular determinants to modulate myeloid cell functions in anatomical settings where PILRα ligands are expressed.

  19. Angular Dependence of the Nuclear Enhancement of Drell-Yan Pairs

    CERN Document Server

    Fries, R J; Schäfer, A; Stein, E

    1999-01-01

    We calculate the nuclear enhancement in the angular distribution of Drell-Yan pairs produced in proton-nucleus reactions. Nuclear effects are encoded in universal twist-4 parton correlation functions. We find that the Lam-Tung relation for the angular coefficients of the lepton-pair distribution holds for the double-hard, but not for the soft-hard contribution. We also predict that nuclear enhancement effects at RHIC energies can be large.

  20. Density functional theory studies of interactions of ruthenium-arene complexes with base pair steps.

    Science.gov (United States)

    Mutter, Shaun T; Platts, James A

    2011-10-20

    Density functional theory (DFT) calculations have been performed to determine the strength and geometry of intermolecular interactions of "piano-stool" ruthenium arene complexes, which show potential as anticancer treatments. Model complexes with methane and benzene indicate that the coordinated arene has C-H···π acceptor ability similar to that of free benzene, whereas this arene acts as a much stronger C-H donor or partner in π-stacking than free benzene. The source of these enhanced interactions is identified as a combination of electrostatic and dispersion effects. Complexes of Ru-arene complexes with base-pair step fragments of DNA, in which the arene has the potential to act as an intercalator, have also been investigated. Binding energies are found to be sensitive to the size and nature of the arene, with larger and more flexible arenes having stronger binding. π-stacking and C-H···π interactions between arene and DNA bases and hydrogen bonds from coordinated N-H to DNA oxygen atoms, as well as covalent Ru-N bonding, contribute to the overall binding. The effect of complexation on DNA structure is also examined, with larger rise and more negative slide values than canonical B-DNA observed in all cases.

  1. Kinetics and fracture resistance of lithiated silicon nanostructure pairs controlled by their mechanical interaction

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Seok Woo; /Stanford U., Geballe Lab.; Lee, Hyun-Wook; /Stanford U., Materials Sci. Dept.; Ryu, Ill; /Brown U.; Nix, William D.; /Stanford U., Materials Sci. Dept.; Gao, Huajian; /Brown U.; Cui, Yi; /Stanford U., Materials Sci. Dept. /SLAC

    2015-06-01

    Following an explosion of studies of silicon as a negative electrode for Li-ion batteries, the anomalous volumetric changes and fracture of lithiated single Si particles have attracted significant attention in various fields, including mechanics. However, in real batteries, lithiation occurs simultaneously in clusters of Si in a confined medium. Hence, understanding how the individual Si structures interact during lithiation in a closed space is necessary. Herein, we demonstrate physical/mechanical interactions of swelling Si structures during lithiation using well-defined Si nanopillar pairs. Ex situ SEM and in situ TEM studies reveal that compressive stresses change the reaction kinetics so that preferential lithiation occurs at free surfaces when the pillars are mechanically clamped. Such mechanical interactions enhance the fracture resistance of This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, under Contract No. DE-AC02-76SF00515. SLAC-PUB-16300 2 lithiated Si by lessening the tensile stress concentrations in Si structures. This study will contribute to improved design of Si structures at the electrode level for high performance Li-ion batteries.

  2. Quantum simulation of pairing Hamiltonians with nearest-neighbor-interacting qubits

    Science.gov (United States)

    Wang, Zhixin; Gu, Xiu; Wu, Lian-Ao; Liu, Yu-xi

    2016-06-01

    Although a universal quantum computer is still far from reach, the tremendous advances in controllable quantum devices, in particular with solid-state systems, make it possible to physically implement "quantum simulators." Quantum simulators are physical setups able to simulate other quantum systems efficiently that are intractable on classical computers. Based on solid-state qubit systems with various types of nearest-neighbor interactions, we propose a complete set of algorithms for simulating pairing Hamiltonians. The fidelity of the target states corresponding to each algorithm is numerically studied. We also compare algorithms designed for different types of experimentally available Hamiltonians and analyze their complexity. Furthermore, we design a measurement scheme to extract energy spectra from the simulators. Our simulation algorithms might be feasible with state-of-the-art technology in solid-state quantum devices.

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

    Science.gov (United States)

    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.

  4. Length-scale dependent phonon interactions

    CERN Document Server

    Srivastava, Gyaneshwar

    2014-01-01

    This book presents  a comprehensive description of phonons and their interactions in systems with different dimensions and length scales. Internationally-recognized leaders describe theories and measurements of phonon interactions  in relation to the design of materials with exotic properties such as metamaterials, nano-mechanical systems, next-generation electronic, photonic, and acoustic devices, energy harvesting, optical information storage, and applications of phonon lasers in a variety of fields. The emergence of techniques for control of semiconductor properties and geometry has enabled engineers to design structures in which functionality is derived from controlling electron behavior. As manufacturing techniques have greatly expanded the list of available materials and the range of attainable length scales, similar opportunities now exist for designing devices whose functionality is derived from controlling phonon behavior. However, progress in this area is hampered by gaps in our knowledge of phono...

  5. The ChIP-exo Method: Identifying Protein-DNA Interactions with Near Base Pair Precision.

    Science.gov (United States)

    Perreault, Andrea A; Venters, Bryan J

    2016-12-23

    Chromatin immunoprecipitation (ChIP) is an indispensable tool in the fields of epigenetics and gene regulation that isolates specific protein-DNA interactions. ChIP coupled to high throughput sequencing (ChIP-seq) is commonly used to determine the genomic location of proteins that interact with chromatin. However, ChIP-seq is hampered by relatively low mapping resolution of several hundred base pairs and high background signal. The ChIP-exo method is a refined version of ChIP-seq that substantially improves upon both resolution and noise. The key distinction of the ChIP-exo methodology is the incorporation of lambda exonuclease digestion in the library preparation workflow to effectively footprint the left and right 5' DNA borders of the protein-DNA crosslink site. The ChIP-exo libraries are then subjected to high throughput sequencing. The resulting data can be leveraged to provide unique and ultra-high resolution insights into the functional organization of the genome. Here, we describe the ChIP-exo method that we have optimized and streamlined for mammalian systems and next-generation sequencing-by-synthesis platform.

  6. Neutron matter, neutron pairing, and neutron drops based on chiral effective field theory interactions

    Energy Technology Data Exchange (ETDEWEB)

    Krueger, Thomas

    2016-10-19

    The physics of neutron-rich systems is of great interest in nuclear and astrophysics. Precise knowledge of the properties of neutron-rich nuclei is crucial for understanding the synthesis of heavy elements. Infinite neutron matter determines properties of neutron stars, a final stage of heavy stars after a core-collapse supernova. It also provides a unique theoretical laboratory for nuclear forces. Strong interactions are determined by quantum chromodynamics (QCD). However, QCD is non-perturbative at low energies and one presently cannot directly calculate nuclear forces from it. Chiral effective field theory circumvents these problems and connects the symmetries of QCD to nuclear interactions. It naturally and systematically includes many-nucleon forces and gives access to uncertainty estimates. We use chiral interactions throughout all calculation in this thesis. Neutron stars are very extreme objects. The densities in their interior greatly exceed those in nuclei. The exact composition and properties of neutron stars is still unclear but they consist mainly of neutrons. One can explore neutron stars theoretically with calculations of neutron matter. In the inner core of neutron stars exist very high densities and thus maybe exotic phases of matter. To investigate whether there exists a phase transition to such phases even at moderate densities we study the chiral condensate in neutron matter, the order parameter of chiral symmetry breaking, and find no evidence for a phase transition at nuclear densities. We also calculate the more extreme system of spin-polarised neutron matter. With this we address the question whether there exists such a polarised phase in neutron stars and also provide a benchmark system for lattice QCD. We find spin-polarised neutron matter to be an almost non-interacting Fermi gas. To understand the cooling of neutron stars neutron pairing is of great importance. Due to the high densities especially triplet pairing is of interest. We

  7. pH dependence of drug-membrane interaction

    Science.gov (United States)

    Basak, Uttam Kumar; Datta, Alokmay

    2014-04-01

    Langmuir monolayer technique has been used to understand the interaction of piroxicam, a NSAID of oxicam class with the DMPC half membrane. It has been found that drug-membrane interaction is dependent on the pH of the environment. The interaction slightly increases with pH in the range 2.5-6.5 whereas the interaction becomes stronger in the pH range 6.6-8.5. The mechanism of interaction has been explained considering the pH dependent molecular conformation and ionic state of drug and lipid molecules.

  8. Estimations of electron-positron pair production at high-intensity laser interaction with high-Z targets

    CERN Document Server

    Gryaznykh, D A; Lykov, V A

    1998-01-01

    Electron-positron pairs' generation occuring in the interaction of $10^{18}$-$10^{20}$~W/cm$^2$ laser radiation with high-Z targets are examined. Computational results are presented for the pair production and the positron yield from the target with allowance for the contribution of pair production processes due to electrons and bremsstrahlung photons. Monte-Carlo simulations using the PRIZMA code confirm the estimates obtained. The possible positron yield from high-Z targets irradiated by picosecond lasers of power $10^2$-$10^3$~TW is estimated to be $10^9$-$10^{11}$.

  9. Effect of ion mass on pair production in the interaction of an ultraintense laser with overdense plasmas

    CERN Document Server

    Wan, F; Jia, M R; Wang, H Y; Xie, B S

    2016-01-01

    The effect of ion mass on pair production in the interaction of an ultraintense laser with overdense plasmas has been explored by particle-in-cell (PIC) simulation. It is found that the heavier ion mass excites the higher and broader electrostatic field, which is responsible for the enhancement of backward photon number. The pair yields are also reinforced due to the increase of head-on collision of backwards photon with incoming laser. By examining the density evolution and angle distribution of each particle species the origin of pair yields enhancement has been clarified further.

  10. An Instructional Method for Mixed Medical Sociology Classes: Paired Observations of Practitioner-Patient Interactions.

    Science.gov (United States)

    Selig, Suzanne M.; Perlstadt, Harry

    1985-01-01

    In a medical sociology course composed of health care students with little sociology background and sociology students with no health care background, a paired observation exercise was given. Health care and sociology students were paired, and each pair observed the same medical encounter and reviewed each other's papers. (Author/RM)

  11. Spatiotemporal configuration dependent pairing of nerve events in dark-adapted human vision

    NARCIS (Netherlands)

    Bouman, M.A.

    2002-01-01

    In the model presented here, in the dark any single quantum absorption in a rod or cone produces a subliminal excitation. Subliminal excitations from both halves of a twin unit pair in the retina for the perception of light from the stimulus. A twin unit contains either two red or two green cones. T

  12. Species interactions among larval mosquitoes: context dependence across habitat gradients.

    Science.gov (United States)

    Juliano, Steven A

    2009-01-01

    Biotic interactions involving mosquito larvae are context dependent, with effects of interactions on populations altered by ecological conditions. Relative impacts of competition and predation change across a gradient of habitat size and permanence. Asymmetrical competition is common and ecological context changes competitive advantage, potentially facilitating landscape-level coexistence of competitors. Predator effects on mosquito populations sometimes depend on habitat structure and on emergent effects of multiple predators, particularly interference among predators. Nonlethal effects of predators on mosquito oviposition, foraging, and life history are common, and their consequences for populations and for mosquito-borne disease are poorly understood. Context-dependent beneficial effects of detritus shredders on mosquitoes occur in container habitats, but these interactions appear to involve more than simple resource modification by shredders. Investigations of context-dependent interactions among mosquito larvae will yield greater understanding of mosquito population dynamics and provide useful model systems for testing theories of context dependence in communities.

  13. Dependence of the lone pair of bismuth on coordination environment and pressure

    DEFF Research Database (Denmark)

    Olsen, Lars Arnskov; López-Solano, Javier; García, Alberto

    2010-01-01

    DFT calculations have been carried out for Cu4Bi5S10 and Bi2S3 to provide an analysis of the relation between electronic structure, lone electron pairs and the local geometry. The effect of pressure is considered in Bi2S3 and the results are compared to published experimental data. Bi3+ in Cu4Bi5S......-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 Cu4Bi5S10, whereas Bi s–p hybridization...

  14. On "Schwinger Mechanism for Gluon Pair Production in the Presence of Arbitrary Time Dependent Chromo-Electric Field"

    CERN Document Server

    Gavrilov, S P; 10.1140/epjc/s10052-009-1135-7

    2009-01-01

    Recently the paper "Schwinger Mechanism for Gluon Pair Production in the Presence of Arbitrary Time Dependent Chromo-Electric Field" by G. C. Nayak was published [Eur. Phys. J. C 59, 715 (2009); arXiv:0708.2430]. Its aim is to obtain an exact expression for the probability of non-perturbative gluon pair production per unit time per unit volume and per unit transverse momentum in an arbitrary time-dependent chromo-electric background field. We believe that the obtained expression is open to question. We demonstrate its inconsistency on some well-known examples. We think that this is a consequence of using the so-called "shift theorem" [arXiv:hep-th/0609192] in deriving the expression for the probability. We make some critical comments on the theorem and its applicability to the problem in question.

  15. Polarization dependence of the metamagnetic resonance of cut-wire-pair structure by using plasmon hybridization

    Energy Technology Data Exchange (ETDEWEB)

    Dung, Nguyen Van; Yoo, Young Joon; Lee, Young Pak [Hanyang University, Seoul (Korea, Republic of); Tung, Nguyen Thanh [KU Leuven, Leuven (Belgium); Tung, Bui Son; Lam, Vu Dinh [Vietnam Academy of Science and Technology, Hanoi (Viet Nam)

    2014-07-15

    The influence of lattice constants on the electromagnetic behavior of a cut-wire-pair (CWP) structure has been elucidated. In this report, we performed both simulations and experiments to determine the influence of polarization on the metamagnetic resonance of the CWP structure. The key finding is the result of an investigation on the plasmon hybridization between the two CWs, which showed that the polarization of the incident wave was affected. Good agreement between numerical simulation and measurement is achieved.

  16. Spin-dependent effective interactions for halo nuclei

    CERN Document Server

    Garrido, E; Jensen, A S

    2003-01-01

    We discuss the spin-dependence of the effective two-body interactions appropriate for three-body computations. The only reasonable choice seems to be the fine and hyperfine interactions known for atomic electrons interacting with the nucleus. One exception is the nucleon-nucleon interaction imposing a different type of symmetry. We use the two-neutron halo nucleus 11Li as illustration. We demonstrate that models with the wrong spin-dependence are basically without predictive power. The Pauli forbidden core and valence states must be consistently treated.

  17. Observation of Energetic particles between a pair of Corotating Interaction Regions

    CERN Document Server

    Wu, Z; Li, G; Zhao, L L; Ebert, R W; Desai, M I; Mason, G M; Lavraud, B; Zhao, L; Liu, Y C -M; Guo, F; Tang, C L; Landi, E; Sauvaud, J

    2014-01-01

    We report observations of the acceleration and trapping of energetic ions and electrons between a pair of corotating interaction regions (CIRs). The event occurred in Carrington Rotation 2060. Observed at spacecraft STEREO-B, the two CIRs were separated by less than 5 days. In contrast to other CIR events, the fluxes of energetic ions and electrons in this event reached their maxima between the trailing-edge of the first CIR and the leading edge of the second CIR. The radial magnetic field (Br) reversed its sense and the anisotropy of the flux also changed from sunward to anti-sunward between the two CIRs. Furthermore, there was an extended period of counter-streaming suprathermal electrons between the two CIRs. Similar observations for this event were also obtained for ACE and STEREO-A. We conjecture that these observations were due to a "U-shape" large scale magnetic field topology connecting the reverse shock of the first CIR and the forward shock of the second CIR. Such a disconnected U-shaped magnetic fi...

  18. Digital particle velocimetry technique for free-surface boundary layer measurements: Application to vortex pair interactions

    Energy Technology Data Exchange (ETDEWEB)

    Hirsa, A.H.; Vogel, M.J.; Gayton, J.D. [Rensselaer Polytechnic Inst., Troy, NY (United States). Dept. of Mechanical Engineering

    2001-08-01

    A variation of the digital particle image velocimetry (DPIV) technique was developed for the measurement of velocity at a free surface for low Froude number flows. The two-step process involves first determining the location of the free surface in the digital images of the seeded flow using the fast Fourier transform-based method of surface elevation mapping (SEM), which takes advantage of total internal reflection at the interface. The boundary-fitted DPIV code positions the interrogation windows below the computed location of the interface to allow for extrapolation of interfacial velocities. This technique was designed specifically to handle large surface-parallel vorticity which can occur when the Reynolds number is large and surface-active materials are present. The SEM technique was verified on capillary-gravity waves and the full boundary-fitted DPIV technique was applied to the interaction of vortex pairs with a free surface covered by an insoluble monolayer. The local rise and fall of the free surface as well as the passage and return of a contamination front was clearly observed in the DPIV data. (orig.)

  19. Phase transitions of boron carbide: Pair interaction model of high carbon limit

    Science.gov (United States)

    Yao, Sanxi; Huhn, W. P.; Widom, M.

    2015-09-01

    Boron Carbide exhibits a broad composition range, implying a degree of intrinsic substitutional disorder. While the observed phase has rhombohedral symmetry (space group R 3 bar m), the enthalpy minimizing structure has lower, monoclinic, symmetry (space group Cm). The crystallographic primitive cell consists of a 12-atom icosahedron placed at the vertex of a rhombohedral lattice, together with a 3-atom chain along the 3-fold axis. In the limit of high carbon content, approaching 20% carbon, the icosahedra are usually of type B11 Cp, where the p indicates the carbon resides on a polar site, while the chains are of type C-B-C. We establish an atomic interaction model for this composition limit, fit to density functional theory total energies, that allows us to investigate the substitutional disorder using Monte Carlo simulations augmented by multiple histogram analysis. We find that the low temperature monoclinic Cm structure disorders through a pair of phase transitions, first via a 3-state Potts-like transition to space group R3m, then via an Ising-like transition to the experimentally observed R 3 bar m symmetry. The R3m and Cm phases are electrically polarized, while the high temperature R 3 bar m phase is nonpolar.

  20. Observations of energetic particles between a pair of corotating interaction regions

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Z.; Chen, Y.; Tang, C. L. [Institute of Space Sciences and School of Space Science and Physics, Shandong University at Weihai, Weihai 264209 (China); Li, G.; Zhao, L. L. [Department of Space Science and CSPAR, University of Alabama in Huntsville, AL 35899 (United States); Ebert, R. W.; Desai, M. I. [Southwest Research Institute, San Antonio, TX 78228 (United States); Mason, G. M. [Applied Physics Laboratory, Johns Hopkins University, Laurel, MD 20723 (United States); Lavraud, B.; Sauvaud, J. [Institut de Recherche en Astrophysique et Planétologie, Université de Toulouse (UPS) and Centre National de la Recherche Scientifique, UMR 5277, Toulouse (France); Zhao, L.; Landi, E. [Department of Atmospheric, Oceanic, and Space Sciences, University of Michigan, Ann Arbor, MI 48105 (United States); Liu, Y. C.-M. [State Key Laboratory of Space Weather, National Space Science Center, CAS. Beijing 100190 (China); Guo, F., E-mail: gang.li@uah.edu [Theoretical Division, Los Alamos National Laboratory, NM 87545 (United States)

    2014-01-20

    We report observations of the acceleration and trapping of energetic ions and electrons between a pair of corotating interaction regions (CIRs). The event occurred in Carrington Rotation 2060. Observed by the STEREO-B spacecraft, the two CIRs were separated by less than 5 days. In contrast to other CIR events, the fluxes of the energetic ions and electrons in this event reached their maxima between the trailing edge of the first CIR and the leading edge of the second CIR. The radial magnetic field (B{sub r} ) reversed its sense and the anisotropy of the flux also changed from Sunward to anti-Sunward between the two CIRs. Furthermore, there was an extended period of counterstreaming suprathermal electrons between the two CIRs. Similar observations for this event were also obtained with the Advanced Composition Explorer and STEREO-A. We conjecture that these observations were due to a U-shaped, large-scale magnetic field topology connecting the reverse shock of the first CIR and the forward shock of the second CIR. Such a disconnected U-shaped magnetic field topology may have formed due to magnetic reconnection in the upper corona.

  1. Investigation of laser-surface interactions and optical damage mechanisms using excitation by pairs of picosecond laser pulses

    Science.gov (United States)

    Chase, L. L.; Lee, H. W. H.; Hughes, Robert S.

    1990-07-01

    It is demonstrated that laser-surface interactions that cause optical surface damage of nominally transparent materials can be investigated by observing the effects of excitation by pairs of picosecond pulses separated by a variable time delay. Laser-induced emission of neutrals is used as the detection mechanism in the present experiments.

  2. Studying temperature dependence of pairing gap parameter in a nucleus as a small superconducting system

    Science.gov (United States)

    Rahmatinejad, A.; Razavi, R.; Kakavand, T.

    2016-07-01

    In this paper, we have taken the effect of small size of nucleus and static fluctuations into account in the Bardeen-Cooper-Schrieffer (BCS) theory of superconductivity calculations of 45Ti nucleus. Thermodynamic quantities of 45Ti have been extracted within the BCS model with the inclusion of the average value of the pairing gap square, extracted by the modified Ginzburg-Landau (MGL) method for small systems. Calculated values of the excitation energy and entropy within the MGL+BCS method improve the extracted results within the usual BCS model and show a smooth behavior around the critical temperature with a very good agreement with the semi-empirical values. The result of using MGL+BCS method for the heat capacity of 45Ti is compared with the corresponding semi-empirical values and the calculated values within the BCS, static path approximation (SPA) and Modified Pairing gap BCS (MPBCS) which is a method that was proposed in our previous publications. Both MGL+BCS and MPBCS avoid the discontinuity of the heat capacity curve, which is observed in the usual BCS method, and lead to an S-shaped curve with a good agreement with the semi-empirical results.

  3. Vacuum pair production of charged scalar bosons in time-dependent electric fields

    CERN Document Server

    Li, Zi-Liang; Xie, Bai-Song

    2013-01-01

    Based on the quantum mechanical scattering model, the dynamical assist effect and the multiple-slit interference effect in electron-positron pair production from vacuum are generalized to vacuum pair production of charged scalar bosons. For the former effect some combinations of a strong but slowly varying electric field and a weak but rapidly varying one with different time delay are studied. Results indicate that the oscillation intensity of momentum spectrum and the number density of created bosons reduce with increasing of the time delay. Obviously, they achieve the maximum if the time delay equals zero. For the latter effect, it is shown that this effect does not exist for equal-sign $N$-pulse electric field in contrast to its existence for alternating-sign $N$-pulse. An approximate solution of boson momentum spectrum is got and it is agreeable well with the exact numerical one in alternating-sign $N$-pulse electric field, especially for $2$-pulse field and for small longitudinal momentum. The difference...

  4. Inversion of the Odd-Even Effect in Cold Fission from the Time-Dependent Pairing Equations

    Directory of Open Access Journals (Sweden)

    Mirea M.

    2016-01-01

    Full Text Available A peculiar phenomenon was observed experimentally in cold fission: the odd partition yields are favored over the even ones for excitations energies of the fragments smaller than 4 MeV. In this contribution, a microscopic model is proposed for the explanation of this odd-even effect in cold fission. This explanation is based on a mixing configuration mechanism that is produced during the fission process. This configuration mixing mechanism is obtained dynamically by solving a the generalized system of time-dependent pairing equations, which include a pair-breaking effect. The time dependent equations of motion for the pair breaking effect were corroborated with a condition that fixes dynamically the number of particles on the two fission fragment. The single particle level scheme was calculated with the Woods-Saxon superasymmetric two center shell model, providing a continuous variation of the single particle energies and of the wave functions from one nucleus up to two separated fragments. A first rule can be extracted from this model. The even-even fission products cannot be obtained at zero excitation energies because of the existence of dynamical excitations produced in the avoided- level-crossing regions when the nuclear system deforms slowly.

  5. Charge Independent(CI) and Charge Dependent(CD) correlations vs. Centrality from $\\Delta \\phi \\Delta \\eta$ Charged Pairs in Minimum Bias Au + Au Collisions at 200 Gev

    CERN Document Server

    Abelev, B I; Ahammed, Z; Anderson, B D; Arkhipkin, D; Averichev, G S; Bai, Y; Balewski, J; Barannikova, O; Barnby, L S; Baudot, J; Baumgart, S; Beavis, D R; Bellwied, R; Benedosso, F; Betts, R R; Bhardwaj, S; Bhasin, A; Bhati, A K; Bichsel, H; Bielcik, J; Bielcikova, J; Biritz, B; Bland, L C; Bombara, M; Bonner, B E; Botje, M; Bouchet, J; Braidot, E; Brandin, A V; Bültmann, S; Burton, T P; Bystersky, M; Cai, X Z; Caines, H; Calderón de la Barca-Sanchez, M; Callner, J; Catu, O; Cebra, D; Cendejas, R; Cervantes, M C; Chajecki, Z; Chaloupka, P; Chattopadhyay, S; Chen, H F; Chen, J H; Chen, J Y; Cheng, J; Cherney, M; Chikanian, A; Choi, K E; Christie, W; Chung, S U; Clarke, R F; Codrington, M J M; Coffin, J P; Cormier, T M; Cosentino, M R; Cramer, J G; Crawford, H J; Das, D; Dash, S; Daugherity, M; De Moura, M M; Dedovich, T G; De Phillips, M; Derevshchikov, A A; Derradide Souza, R; Didenko, L; Dietel, T; Djawotho, P; Dogra, S M; Dong, X; Drachenberg, J L; Draper, J E; Du, F; Dunlop, J C; Dutta-Majumdar, M R; Edwards, W R; Efimov, L G; Elhalhuli, E; Elnimr, M; Emelianov, V; Engelage, J; Eppley, G; Erazmus, B; Estienne, M; Eun, L; Fachini, P; Fatemi, R; Fedorisin, J; Feng, A; Filip, P; Finch, E; Fine, V; Fisyak, Yu; Gagliardi, C A; Gaillard, L; Gangadharan, D R; Ganti, M S; García-Solis, E; Ghazikhanian, V; Ghosh, P; Gorbunov, Y N; Gordon, A; Grebenyuk, O; Grosnick, D; Grube, B; Guertin, S M; Guimaraes, K S F F; Sen-Gupta, A; Gupta, N; Guryn, W; Haag, B; Hallman, T J; Hamed, A; Harris, J W; He, W; Heinz, M; Heppelmann, S; Hippolyte, B; Hirsch, A; Hoffman, A M; Hoffmann, G W; Hofman, D J; Hollis, R S; Huang, H Z; Hughes, E W; Humanic, T J; Igo, G; Iordanova, A; Jacobs, W W; Jakl, P; Jin, F; Jones, P G; Judd, E G; Kabana, S; Kajimoto, K; Kang, K; Kapitan, J; Kaplan, M; Keane, D; Kechechyan, A; Kettler, D; Khodyrev, V Yu; Kiryluk, J; Kisiel, A; Klein, S R; Knospe, A G; Kocoloski, A; Koetke, D D; Kollegger, T; Kopytine, M; Kotchenda, L; Kouchpil, V; Kravtsov, P; Kravtsov, V I; Krüger, K; Kuhn, C; Kumar, A; Kumar, L; Kurnadi, P; Lamont, M A C; Landgraf, J M; Lange, S; La Pointe, S; Laue, F; Lauret, J; Lebedev, A; Lednicky, R; Lee, C-H; Le Vine, M J; Li, C; Li, Y; Lin, G; Lin, X; Lindenbaum, S J; Lisa, M A; Liu, F; Liu, H; Liu, J; Liu, L; Ljubicic, T; Llope, W J; Longacre, R S; Love, W A; Lu, Y; Ludlam, T; Lynn, D; Ma, G L; Ma, J G; Ma, Y G; Mahapatra, D P; Majka, R; Mangotra, L K; Manweiler, R; Margetis, S; Markert, C; Matis, H S; Matulenko, Yu A; McShane, T S; Meschanin, A; Millane, J; Miller, M L; Minaev, N G; Mioduszewski, S; Mischke, A; Mitchell, J; Mohanty, B; Morozov, D A; Munhoz, M G; Nandi, B K; Nattrass, C; Nayak, T K; Nelson, J M; Nepali, C; Netrakanti, P K; Ng, M J; Nogach, L V; Nurushev, S B; Odyniec, Grazyna Janina; Ogawa, A; Okada, H; Okorokov, V; Olson, D; Pachr, M; Pal, S K; Panebratsev, Yu A; Pawlak, T; Peitzmann, T; Perevozchikov, V; Perkins, C; Peryt, W; Phatak, S C; Planinic, M; Pluta, J; Poljak, N; Porile, N; Poskanzer, A M; Potekhin, M; Potukuchi, B V K S; Prindle, D; Pruneau, C; Pruthi, N K; Putschke, J; Qattan, I A; Raniwala, R; Raniwala, S; Ridiger, A; Ritter, H G; Roberts, J B; Rogachevski, O V; Romero, J L; Rose, A; Roy, C; Ruan, L; Russcher, M J; Rykov, V; Sahoo, R; Sakai, S; Sakrejda, I; Sakuma, T; Salur, S; Sandweiss, J; Sarsour, M; Schambach, J; Scharenberg, R P; Schmitz, N; Seger, J; Selyuzhenkov, I; Seyboth, P; Shabetai, A; Shahaliev, E; Shao, M; Sharma, M; Shi, S S; Shi, X-H; Sichtermann, E P; Simon, F; Singaraju, R N; Skoby, M J; Smirnov, N; Snellings, R; Sørensen, P; Sowinski, J; Spinka, H M; Srivastava, B; Stadnik, A; Stanislaus, T D S; Staszak, D; Stock, R; Strikhanov, M; Stringfellow, B; Suaide, A A P; Suarez, M C; Subba, N L; Sumbera, M; Sun, X M; Sun, Z; Surrow, B; Symons, T J M; Szanto de Toledo, A; Takahashi, J; Tang, A H; Tang, Z; Tarnowsky, T; Thein, D; Thomas, J H; Tian, J; Timmins, A R; Timoshenko, S; Tokarev, M; Tram, V N; Trattner, A L; Trentalange, S; Tribble, R E; Tsai, O D; Ulery, J; Ullrich, T; Underwood, D G; Van Buren, G; Van der Kolk, N; Van Leeuwen, M; Van der Molen, A M; Varma, R; Vasconcelos, G M S; Vasilevski, I M; Vasilev, A N; Videbaek, F; Vigdor, S E; Viyogi, Y P; Vokal, S; Voloshin, S A; Wada, M; Waggoner, W T; Wang, F; Wang, G; Wang, J S; Wang, Q; Wang, X; Wang, X L; Wang, Y; Webb, J C; Westfall, G D; Whitten, C; Wieman, H; Wissink, S W; Witt, R; Wu, J; Wu, Y; Xu, N; Xu, Q H; Xu, Z; Yepes, P; Yoo, I-K; Yue, Q; Zawisza, M; Zbroszczyk, H; Zhan, W; Zhang, H; Zhang, S; Zhang, W M; Zhang, Y; Zhang, Z P; Zhao, Y; Zhong, C; Zhou, J; Zoulkarneev, R; Zoulkarneeva, Y; Zuo, J X

    2008-01-01

    We report high precision charged-particle pair (2-D) correlation analyses in the space of $\\Delta \\phi$ (azimuth) and $\\Delta \\eta$ (pseudorapidity), for minimum bias Au + Au collisions at $\\sqrt{s_{NN}}$ = 200 GeV as a function of centrality (0-80%). The intermediate transverse momenta region chosen $0.8 < p_t < 4.0$ GeV/c corresponds to an emission source size $\\sim2$fm obtained from HBT measurements and should resolve substructures at the scale of $\\sim2$fm. The difference and the sum of unlike-sign and like-sign charged pairs form Charge Dependent (CD) correlations and Charge Independent (CI) correlations respectively. The CD displays the initial correlation at hadronization of the opposite sign pairs emitted from the same space-time region as modified by further medium interactions before kinetic freeze-out. Our analysis of the CD correlations shows approximately jet-like structure, independent of centrality and is consistent with the initial correlation which is predicted by Pythia (or HIJING) jet...

  6. Orbital dependent pairing and the structure of the lightest isotopes of tin

    Science.gov (United States)

    Grzywacz, Robert; Darby, Iain; Batchelder, Jon; Bingham, Carrol; Cartegni, Lucia; Gross, Carl; Hjorth-Jensen, Morten; Joss, David; Liddick, Sean; Nazarewicz, Witold; Page, Robert; Papenbrock, Thomas; Rajabali, Mustafa; Rotureau, Jimmy; Rykaczewski, Krzysztof; Padgett, Stephen

    2010-11-01

    The island of alpha radioactivity near doubly magic ^100Sn provides an opportunity to study properties of tin isotopes using the extreme selectivity of charge particle decay spectroscopy. In an experiment, which used the most advanced experimental spectroscopic techniques the ^109Xe->^105Te->^101Sn alpha decay chain was studied at the Holifield Radioactive Ion Beam Facility at Oak Ridge. The majority of the alpha decay branching ratio of the ^105Te populates not the ground state but the first excited state in ^101Sn leading to the revision of the established order of single particle levels. The in-depth analysis of this result with the state-of-the-art shell model calculations lead to surprising conclusions on the role of the pairing correlations in the lightest tin isotopes.

  7. Magnetic shielding and exotic spin-dependent interactions

    CERN Document Server

    Kimball, D F Jackson; Li, Y; Thulasi, S; Pustelny, S; Budker, D; Zolotorev, M

    2016-01-01

    Experiments searching for exotic spin-dependent interactions typically employ magnetic shielding between the source of the exotic field and the interrogated spins. We explore the question of what effect magnetic shielding has on detectable signals induced by exotic fields. Our general conclusion is that for common experimental geometries and conditions, magnetic shields should not significantly reduce sensitivity to exotic spin-dependent interactions, especially when the technique of comagnetometry is used. However, exotic fields that couple to electron spin can induce magnetic fields in the interior of shields made of a soft ferro- or ferrimagnetic material. This induced magnetic field must be taken into account in the interpretation of experiments searching for new spin-dependent interactions and raises the possibility of using a flux concentrator inside magnetic shields to amplify exotic spin-dependent signals.

  8. Structural study of surfactant-dependent interaction with protein

    Energy Technology Data Exchange (ETDEWEB)

    Mehan, Sumit; Aswal, Vinod K., E-mail: vkaswal@barc.gov.in [Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Kohlbrecher, Joachim [Laboratory for Neutron Scattering, Paul Scherrer Institut, CH-5232 PSI Villigen (Switzerland)

    2015-06-24

    Small-angle neutron scattering (SANS) has been used to study the complex structure of anionic BSA protein with three different (cationic DTAB, anionic SDS and non-ionic C12E10) surfactants. These systems form very different surfactant-dependent complexes. We show that the structure of protein-surfactant complex is initiated by the site-specific electrostatic interaction between the components, followed by the hydrophobic interaction at high surfactant concentrations. It is also found that hydrophobic interaction is preferred over the electrostatic interaction in deciding the resultant structure of protein-surfactant complexes.

  9. Interaction of free-floating planets with a star-planet pair

    CERN Document Server

    Varvoglis, Harry; Tsiganis, Kleomenis

    2012-01-01

    The recent discovery of free-floating planets and their theoretical interpretation as celestial bodies, either condensed independently or ejected from parent stars in tight clusters, introduced an intriguing possibility. Namely the existence of exoplanets not condensed from the protoplanetary disk of their parent star. In this novel scenario a free-floating planet interacts with an already existing planetary system, created in a tight cluster, and is captured as a new planet. In the present work we study this interaction process by integrating trajectories of planet-sized bodies, which encounter a binary system consisting of a Jupiter-sized planet revolving around a Sun-like star. To simplify the problem we assume coplanar orbits for the bound and the free-floating planet and an initially parabolic orbit for the free-floating planet. By calculating the uncertainty exponent, a quantity that measures the dependence of the final state of the system on small changes of the initial conditions, we show that the int...

  10. The predator-prey models for the mechanism of autocatalysis, pair wise interactions and movements to free places

    Directory of Open Access Journals (Sweden)

    Muhammad Shakil

    2015-12-01

    Full Text Available In this paper we aim to develop the modeled equations for different types of mechanism of the predator-prey interactions with the help of a quasi chemical approach while taking a special study case of foxes and rabbits, these mechanisms include autocatalysis mechanism, pair wise interactions and the mechanism of their movements to some free places. The chemical reactions representing the interactions obey the mass action law. The territorial animal like fox is assigned a simple cell as its territory. Under the proper relations between coefficients, this system may demonstrate globally stable dynamics.

  11. Medium mass fragments production due to momentum dependent interactions

    CERN Document Server

    Kumar, Sanjeev; Puri, Rajeev K; 10.1103/PhysRevC.78.064602

    2010-01-01

    The role of system size and momentum dependent effects are analyzed in multifragmenation by simulating symmetric reactions of Ca+Ca, Ni+Ni, Nb+Nb, Xe+Xe, Er+Er, Au+Au, and U+U at incident energies between 50 MeV/nucleon and 1000 MeV/nucleon and over full impact parameter zones. Our detailed study reveals that there exist a system size dependence when reaction is simulated with momentum dependent interactions. This dependence exhibits a mass power law behavior.

  12. Pair plasma formation in the interaction of a thin plasma with ultra-intense counter-propagating lasers

    Science.gov (United States)

    Slade-Lowther, Cody

    2016-10-01

    Next-generation lasers (e.g. ELI) expect to reach peak intensities of 1023 Wcm-2. At such intensities, the electromagnetic field strength is sufficient for non-linear Quantum Electrodynamics effects to become important. The processes of non-linear Compton scattering and Breit-Wheeler Pair production become likely at intensities >=1023 Wcm-2, and have been predicted to lead to prolific pair and γ-ray production via electromagnetic cascades. We present results for the case of two counter-propagating circularly- polarized lasers of intensity I ∈ [1023 ,1025 ] Wcm24 interacting with a plasma of initial density n0 ∈ [1025 ,1035 ] via the Monte-Carlo- particle-in-cell code EPOCH. We show the maximum pair plasma density in I vs n0 space. We further discuss the variation within this space on the plasma characteristics, including laser absorption and field-particle energy distribution.

  13. On the Casimir Energy of Frequency Dependent Interactions

    CERN Document Server

    Graham, N; Weigel, H

    2014-01-01

    Vacuum polarization (or Casimir) energies can be straightforwardly computed from scattering data for static field configurations whose interactions with the fluctuating field are frequency independent. In effective theories, however,such interactions are typically frequency dependent. As a consequence, the relationship between scattering data and the Green's function is modified, which may or may not induce additional contributions to the vacuum polarization energy. We discuss several examples that naturally include frequency dependent interactions: (i) scalar electrodynamics with a static background potential, (ii) an effective theory that emerges from integrating out a heavy degree of freedom, and (iii) quantum electrodynamics coupled to a frequency dependent dielectric material. In the latter case, we argue that introducing dissipation as required by the Kramers-Kronig relations requires the consideration of the Casimir energy within a statistical mechanics formalism, while in the absence of dissipation we...

  14. Mathematical analysis of endothelial sibling pair cell-cell interactions using time-lapse cinematography data.

    Science.gov (United States)

    Brown, L M; Ryan, U S; Absher, M; Olazabal, B M

    1982-01-01

    The sibling pairs from two different endothelial cell cultures were analysed by time-lapse cinematography. It was shown that wounded and regular (low density seeded) cultures differed in the behaviour patterns of their siblings. The cultures differed most significantly in the minimum interdivision time (IDT) which was 27% lower for the wounded culture. In the wounded culture there was a greater correlation of IDT values between sibling pairs. IDT values recorded both for paired and for unpaired cells were shorter for the wounded than for the regular culture. The mean IDT for unpaired cells was longer than the mean IDT for paired cells in the regular culture. Thus paired cells in the regular culture, had shorter IDTs, but not as short as in the wounded culture. It was significant that in the wounded culture the first generation of siblings were very close (less than 150 microns apart) at division. Overall the behaviour differences between the two cultures resulted in a higher rate of increase in cell numbers, and thus faster repair, of the wounded monolayer.

  15. Dependence of Isoscaling Parameters on Nucleon-Nucleon Cross Section and Momentum-Dependent Interaction

    Institute of Scientific and Technical Information of China (English)

    XING Yong-Zhong; HAO Huan-Feng; LIU Xiao-Bin; FANG Yu-Tian; LIU Bao-Yi

    2007-01-01

    @@ Influences of the isospin dependence of the in-medium nucleon-nucleon cross section and the momentum-dependent interaction (MDI) on the isotope scaling are investigated by using the isospin-dependent quantum molecular dynamics model (IQMD). The results show that both the isospin dependence of the in-medium nucleon-nucleon cross section and the momentum-dependent interaction affect the isoscaling parameters appreciably and independently. The influence caused by the isospin dependence of two-body collision is relatively larger than that from the MDI in the mean field. Aiming at exploring the implication of isoscaling behaviour, which the statistical equilibrium in the reaction is reached, the statistical properties in the mass distribution and the kinetic energy distribution of the fragments simulated by IQMD are presented.

  16. Higgs Boson Pair Production in Gluon Fusion at Next-to-Leading Order with Full Top-Quark Mass Dependence.

    Science.gov (United States)

    Borowka, S; Greiner, N; Heinrich, G; Jones, S P; Kerner, M; Schlenk, J; Schubert, U; Zirke, T

    2016-07-01

    We present the calculation of the cross section and invariant mass distribution for Higgs boson pair production in gluon fusion at next-to-leading order (NLO) in QCD. Top-quark masses are fully taken into account throughout the calculation. The virtual two-loop amplitude has been generated using an extension of the program GoSam supplemented with an interface to Reduze for the integral reduction. The occurring integrals have been calculated numerically using the program SecDec. Our results, including the full top-quark mass dependence for the first time, allow us to assess the validity of various approximations proposed in the literature, which we also recalculate. We find substantial deviations between the NLO result and the different approximations, which emphasizes the importance of including the full top-quark mass dependence at NLO.

  17. Importance of the ion-pair interactions in the OPEP coarse-grained force field: parametrization and validation.

    Science.gov (United States)

    Sterpone, Fabio; Nguyen, Phuong H; Kalimeri, Maria; Derreumaux, Philippe

    2013-10-08

    We have derived new effective interactions that improve the description of ion-pairs in the OPEP coarse-grained force field without introducing explicit electrostatic terms. The iterative Boltzmann inversion method was used to extract these potentials from all atom simulations by targeting the radial distribution function of the distance between the center of mass of the side-chains. The new potentials have been tested on several systems that differ in structural properties, thermodynamic stabilities and number of ion-pairs. Our modeling, by refining the packing of the charged amino-acids, impacts the stability of secondary structure motifs and the population of intermediate states during temperature folding/unfolding; it also improves the aggregation propensity of peptides. The new version of the OPEP force field has the potentiality to describe more realistically a large spectrum of situations where salt-bridges are key interactions.

  18. Application of the short and long consecutive pairs model to the triplet-doublet interaction in molecular crystals

    Science.gov (United States)

    Barhoumi, T.; Monge, J. L.; Bouchriha, H.

    2010-10-01

    We have adapted the model of two consecutive pairs to the study of the triplet-doublet (T-D) interaction in molecular crystals. We have applied this model to the modulation of the photoconductivity in crystalline anthracene by a static magnetic field (MFE) and a microwave field (PDMR). We were able to reproduce, for the first time, quite perfectly two types of experiments with the same set of kinetic constants.

  19. Controlling the transmitted information of a multi-photon interacting with a single-Cooper pair box

    Energy Technology Data Exchange (ETDEWEB)

    Kadry, Heba, E-mail: hkadry1@yahoo.com; Abdel-Aty, Abdel-Haleem, E-mail: hkadry1@yahoo.com; Zakaria, Nordin, E-mail: hkadry1@yahoo.com [Computer and Information Science Department, Universiti Teknologi Petronas, Seri Iskandar, 31750 Tronoh, Perak (Malaysia); Cheong, Lee Yen [Fundamental and Applied Science Department, Universiti Teknologi Petronas, Seri Iskandar, 31750 Tronoh, Perak (Malaysia)

    2014-10-24

    We study a model of a multi-photon interaction of a single Cooper pair box with a cavity field. The exchange of the information using this system is studied. We quantify the fidelity of the transmitted information. The effect of the system parameters (detuning parameter, field photons, state density and mean photon number) in the fidelity of the transmitted information is investigated. We found that the fidelity of the transmitted information can be controlled using the system parameters.

  20. Importance of the Ion-Pair Interactions in the OPEP Coarse-Grained Force Field: Parametrization and Validation

    OpenAIRE

    Sterpone, Fabio; Nguyen, Phuong H; Kalimeri, Maria; Derreumaux, Philippe

    2013-01-01

    We have derived new effective interactions that improve the description of ion-pairs in the OPEP coarse-grained force field without introducing explicit electrostatic terms. The iterative Boltzmann inversion method was used to extract these potentials from all atom simulations by targeting the radial distribution function of the distance between the center of mass of the side-chains. The new potentials have been tested on several systems that differ in structural properties, thermodynamic sta...

  1. RNA LEGO: magnesium-dependent assembly of RNA building blocks through loop-loop interactions.

    Science.gov (United States)

    Horiya, Satoru; Li, Xianglan; Kawai, Gota; Saito, Ryota; Katoh, Akira; Kobayashi, Koh; Harada, Kazuo

    2002-01-01

    We describe the construction of nano-molecular assemblies using RNA building blocks the human immunodeficiency virus type 1 (HIV-1) dimerization initiation site (DIS) RNA, that forms stable base pairing through a magnesium-dependent loop-loop interaction ("kissing"). RNA building blocks containing two DIS or DIS-like hairpins connected by a two nucleotide linker self-assembled to form specific structures as observed by non-denaturing polyacrylamide gel electrophoresis (PAGE). Furthermore, observation of "real time" formation of the molecular assemblies by circular dichroism (CD) spectroscopy was attempted.

  2. Spin-Spin Interactions in Organic Magnetoresistance Probed by Angle-Dependent Measurements

    Science.gov (United States)

    Wagemans, W.; Schellekens, A. J.; Kemper, M.; Bloom, F. L.; Bobbert, P. A.; Koopmans, B.

    2011-05-01

    The dependence of organic magnetoresistance (OMAR) on the orientation of the magnetic field has been investigated. In contrast with previous claims, a finite and systematic change in magnitude is observed when the orientation of the field is changed with respect to the sample. It is demonstrated that, to explain these effects, spin-spin interactions have to be included in the models previously suggested for OMAR. Dipole coupling and exchange coupling are introduced in combination with either an anisotropy of the orientation of the spin pairs or an anisotropy in the hyperfine fields.

  3. Identification of Redox and Glucose-Dependent Txnip Protein Interactions

    Directory of Open Access Journals (Sweden)

    Benjamin J. Forred

    2016-01-01

    Full Text Available Thioredoxin-interacting protein (Txnip acts as a negative regulator of thioredoxin function and is a critical modulator of several diseases including, but not limited to, diabetes, ischemia-reperfusion cardiac injury, and carcinogenesis. Therefore, Txnip has become an attractive therapeutic target to alleviate disease pathologies. Although Txnip has been implicated with numerous cellular processes such as proliferation, fatty acid and glucose metabolism, inflammation, and apoptosis, the molecular mechanisms underlying these processes are largely unknown. The objective of these studies was to identify Txnip interacting proteins using the proximity-based labeling method, BioID, to understand differential regulation of pleiotropic Txnip cellular functions. The BioID transgene fused to Txnip expressed in HEK293 identified 31 interacting proteins. Many protein interactions were redox-dependent and were disrupted through mutation of a previously described reactive cysteine (C247S. Furthermore, we demonstrate that this model can be used to identify dynamic Txnip interactions due to known physiological regulators such as hyperglycemia. These data identify novel Txnip protein interactions and demonstrate dynamic interactions dependent on redox and glucose perturbations, providing clarification to the pleiotropic cellular functions of Txnip.

  4. Attention to Form in Collaborative Writing Tasks: Comparing Pair and Small Group Interaction

    Science.gov (United States)

    Dobao, Ana Fernández

    2014-01-01

    This study examines the opportunities that a collaborative writing task completed in pairs and in small groups offers for attention to form. Previous research suggests that collaborative writing activities encourage learners to focus their attention on language and to collaborate in the resolution of their language-related problems in ways that…

  5. Optical probing of spin-dependent interactions in II-VI semiconductor structures

    Energy Technology Data Exchange (ETDEWEB)

    Gaj, J.A.; Golnik, A.; Goryca, M.; Kossacki, P.; Kowalik, K.; Kudelski, A.; Maslana, W.; Nawrocki, M.; Pacuski, W.; Plochocka, P.; Senellart, P. [Institute of Experimental Physics, Warsaw University, Hoza 69, 00-681 Warszawa (Poland); Cibert, J.; Ferrand, D.; Tatarenko, S. [CNRS-CEA-UJF Joint Group ' ' Nanophysique et semiconducteurs' ' , Laboratoire de Spectrometrie Physique, BP 87, 38402 Saint Martin d' Heres Cedex (France); Karczewski, G.; Kossut, J.; Kutrowski, M. [Institute of Physics, Polish Academy of Sciences, al. Lotnikow 32/46, 02-668 Warszawa (Poland); Krebs, O.; Lemaitre, A.; Voisin, P. [Laboratoire de Photonique et Nanostructures, CNRS, Route de Nozay, 91460 Marcoussis (France); Wojtowicz, T.

    2006-03-15

    We present a selection of optical experiments, providing information on several spin-dependent interactions in II-VI semiconductor structures. Exciton-exciton and exciton-carrier interactions were studied by time-resolved picosecond pump-probe measurements. Several examples of recent studies involving ion-carrier exchange interaction in quantum wells and layers are discussed, concerning the quest for room temperature ferromagnetic semiconductors, spin temperature of Mn ions in (Cd,Mn)Te quantum wells, and spin relaxation in such wells under pulsed magnetic field. Finally, anisotropic electron-hole exchange in semiconductor quantum dots is discussed in the context of efforts to obtain generation of entangled photon pairs in a biexciton-exciton cascade in a semiconductor quantum dot. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  6. Statistical thermodynamics of fluids with orientation-dependent interactions.

    NARCIS (Netherlands)

    Besseling, N.A.M.

    1993-01-01

    The aim of the present study was to develop a lattice theory for systems, homogeneous as well as heterogeneous, containing molecules with orientation- dependent interactions such as water. It was soon recognised that the so-called Bragg-Williams mean-field approximation is not capable of reproducing

  7. From networks of protein interactions to networks of functional dependencies

    Directory of Open Access Journals (Sweden)

    Luciani Davide

    2012-05-01

    Full Text Available Abstract Background As protein-protein interactions connect proteins that participate in either the same or different functions, networks of interacting and functionally annotated proteins can be converted into process graphs of inter-dependent function nodes (each node corresponding to interacting proteins with the same functional annotation. However, as proteins have multiple annotations, the process graph is non-redundant, if only proteins participating directly in a given function are included in the related function node. Results Reasoning that topological features (e.g., clusters of highly inter-connected proteins might help approaching structured and non-redundant understanding of molecular function, an algorithm was developed that prioritizes inclusion of proteins into the function nodes that best overlap protein clusters. Specifically, the algorithm identifies function nodes (and their mutual relations, based on the topological analysis of a protein interaction network, which can be related to various biological domains, such as cellular components (e.g., peroxisome and cellular bud or biological processes (e.g., cell budding of the model organism S. cerevisiae. Conclusions The method we have described allows converting a protein interaction network into a non-redundant process graph of inter-dependent function nodes. The examples we have described show that the resulting graph allows researchers to formulate testable hypotheses about dependencies among functions and the underlying mechanisms.

  8. Saturating interactions in /sup 4/He with density dependence

    Energy Technology Data Exchange (ETDEWEB)

    Bloom, S.D.; Resler, D.A.; Moszkowski, S.A.

    1989-05-03

    With the advent of larger and faster computers, as well as modern shell model codes, nuclear structure calculations for the light nuclei (A<16) which include full 2/bar h/..omega.. model spaces are quite feasible. However, there can be serious problems in the mixing of 2/bar h/..omega.. and higher excitations into the low-lying spectra if the effective interaction is non-saturating. Furthermore, effective interactions which are both saturating and density dependent have not generally been used in previous nuclear structure calculations. Therefore, we have undertaken studies of /sup 4/He using two-body potential interactions which incorporate both saturation and density-dependence. Encouraging initial results in remedying the mixing of 0 and 2/bar h/..omega.. excitations have been obtained. We have also considered the effects of our interaction on the /sup 4/He compressibility and the centroid of the breathing mode strength. First indications are that a saturating effective interaction, with a short-range density dependent part and a long-range density independent part, comes close to matching crude predictions for the compressibility of /sup 4/He. 11 refs., 6 tabs.

  9. Resonance energy transfer (RET)-Induced intermolecular pairing force: a tunable weak interaction and its application in SWNT separation.

    Science.gov (United States)

    Pan, Xiaoyong; Chen, Hui; Wang, Wei Zhi; Ng, Siu Choon; Chan-Park, Mary B

    2011-07-21

    This paper explores evidence of an optically mediated interaction that is active in the separation mechanism of certain selective agents through consideration of the contrasting selective behaviors of two conjugated polymers with distinct optical properties. The involvement of a RET-induced intermolecular pairing force is implied by the different illumination response behaviors. The magnitude of this interaction scales with the external stimulus parameter, the illumination irradiance (I), and thus is tunable. This suggests a facile technique to modify the selectivity of polymers toward specific SWNT species by altering the polymer structure to adjust the corresponding intermolecular interaction. This is the first experimental verification and application of a RET-induced intermolecular pairing force to SWNT separation. With this kind of interaction taken into account, reasonable interpretation of some conflicting data, especially PLE maps, can be easily made. The above conclusion can be applied to other substances as long as they are electrically neutral and there is photon-induced RET between them. The significant magnitude of this interaction makes direct manipulation of molecules/particles possible and is expected to have applications in molecular engineering.

  10. Bacterial beta-lactamase fragmentation complementation strategy can be used as a method for identifying interacting protein pairs.

    Science.gov (United States)

    Park, Jong-Hwa; Back, Jung Ho; Hahm, Soo Hyun; Shim, Hye-Young; Park, Min Ju; Ko, Sung Il; Han, Ye Sun

    2007-10-01

    We investigated the applicability of the TEM-1 beta- lactamase fragment complementation (BFC) system to develop a strategy for the screening of protein-protein interactions in bacteria. A BFC system containing a human Fas-associated death domain (hFADD) and human Fas death domain (hFasDD) was generated. The hFADD-hFasDD interaction was verified by cell survivability in ampicillin-containing medium and the colorimetric change of nitrocefin. It was also confirmed by His pull-down assay using cell lysates obtained in selection steps. A coiled-coil helix coiled-coil domain-containing protein 5 (CHCH5) was identified as an interacting protein of human uracil DNA glycosylase (hUNG) from the bacterial BFC cDNA library strategy. The interaction between hUNG and CHCH5 was further confirmed with immunoprecipitation using a mammalian expression system. CHCH5 enhanced the DNA glycosylase activity of hUNG to remove uracil from DNA duplexes containing a U/G mismatch pair. These results suggest that the bacterial BFC cDNA library strategy can be effectively used to identify interacting protein pairs.

  11. Evidence for a Mass Dependent Forward-Backward Asymmetry in Top Quark Pair Production

    CERN Document Server

    Aaltonen, T.; Amerio, S.; Amidei, D.; Anastassov, A.; Annovi, A.; Antos, J.; Apollinari, G.; Appel, J.A.; Apresyan, A.; Arisawa, T.; Artikov, A.; Asaadi, J.; Ashmanskas, W.; Auerbach, B.; Aurisano, A.; Azfar, F.; Badgett, W.; Barbaro-Galtieri, A.; Barnes, V.E.; Barnett, B.A.; Barria, P.; Bartos, P.; Bauce, M.; Bauer, G.; Bedeschi, F.; Beecher, D.; Behari, S.; Bellettini, G.; Bellinger, J.; Benjamin, D.; Beretvas, A.; Bhatti, A.; Binkley, M.; Bisello, D.; Bizjak, I.; Bland, K.R.; Blumenfeld, B.; Bocci, A.; Bodek, A.; Bortoletto, D.; Boudreau, J.; Boveia, A.; Brau, B.; Brigliadori, L.; Brisuda, A.; Bromberg, C.; Brucken, E.; Bucciantonio, M.; Budagov, J.; Budd, H.S.; Budd, S.; Burkett, K.; Busetto, G.; Bussey, P.; Buzatu, A.; Calancha, C.; Camarda, S.; Campanelli, M.; Campbell, M.; Canelli, F.; Canepa, A.; Carls, B.; Carlsmith, D.; Carosi, R.; Carrillo, S.; Carron, S.; Casal, B.; Casarsa, M.; Castro, A.; Catastini, P.; Cauz, D.; Cavaliere, V.; Cavalli-Sforza, M.; Cerri, A.; Cerrito, L.; Chen, Y.C.; Chertok, M.; Chiarelli, G.; Chlachidze, G.; Chlebana, F.; Cho, K.; Chokheli, D.; Chou, J.P.; Chung, W.H.; Chung, Y.S.; Ciobanu, C.I.; Ciocci, M.A.; Clark, A.; Compostella, G.; Convery, M.E.; Conway, J.; Corbo, M.; Cordelli, M.; Cox, C.A.; Cox, D.J.; Crescioli, F.; Cuenca Almenar, C.; Cuevas, J.; Culbertson, R.; Dagenhart, D.; d'Ascenzo, N.; Datta, M.; de Barbaro, P.; De Cecco, S.; De Lorenzo, G.; Dell'Orso, M.; Deluca, C.; Demortier, L.; Deng, J.; Deninno, M.; Devoto, F.; d'Errico, M.; Di Canto, A.; Di Ruzza, B.; Dittmann, J.R.; D'Onofrio, M.; Donati, S.; Dong, P.; Dorigo, M.; Dorigo, T.; Ebina, K.; Elagin, A.; Eppig, A.; Erbacher, R.; Errede, D.; Errede, S.; Ershaidat, N.; Eusebi, R.; Fang, H.C.; Farrington, S.; Feindt, M.; Fernandez, J.P.; Ferrazza, C.; Field, R.; Flanagan, G.; Forrest, R.; Frank, M.J.; Franklin, M.; Freeman, J.C.; Funakoshi, Y.; Furic, I.; Gallinaro, M.; Galyardt, J.; Garcia, J.E.; Garfinkel, A.F.; Garosi, P.; Gerberich, H.; Gerchtein, E.; Giagu, S.; Giakoumopoulou, V.; Giannetti, P.; Gibson, K.; Ginsburg, C.M.; Giokaris, N.; Giromini, P.; Giunta, M.; Giurgiu, G.; Glagolev, V.; Glenzinski, D.; Gold, M.; Goldin, D.; Goldschmidt, N.; Golossanov, A.; Gomez, G.; Gomez-Ceballos, G.; Goncharov, M.; Gonzalez, O.; Gorelov, I.; Goshaw, A.T.; Goulianos, K.; Gresele, A.; Grinstein, S.; Grosso-Pilcher, C.; Group, R.C.; Guimaraes da Costa, J.; Gunay-Unalan, Z.; Haber, C.; Hahn, S.R.; Halkiadakis, E.; Hamaguchi, A.; Han, J.Y.; Happacher, F.; Hara, K.; Hare, D.; Hare, M.; Harr, R.F.; Hatakeyama, K.; Hays, C.; Heck, M.; Heinrich, J.; Herndon, M.; Hewamanage, S.; Hidas, D.; Hocker, A.; Hopkins, W.; Horn, D.; Hou, S.; Hughes, R.E.; Hurwitz, M.; Husemann, U.; Hussain, N.; Hussein, M.; Huston, J.; Introzzi, G.; Iori, M.; Ivanov, A.; James, E.; Jang, D.; Jayatilaka, B.; Jeon, E.J.; Jha, M.K.; Jindariani, S.; Johnson, W.; Jones, M.; Joo, K.K.; Jun, S.Y.; Junk, T.R.; Kamon, T.; Karchin, P.E.; Kato, Y.; Ketchum, W.; Keung, J.; Khotilovich, V.; Kilminster, B.; Kim, D.H.; Kim, H.S.; Kim, H.W.; Kim, J.E.; Kim, M.J.; Kim, S.B.; Kim, S.H.; Kim, Y.K.; Kimura, N.; Kirby, M.; Klimenko, S.; Kondo, K.; Kong, D.J.; Konigsberg, J.; Kotwal, A.V.; Kreps, M.; Kroll, J.; Krop, D.; Krumnack, N.; Kruse, M.; Krutelyov, V.; Kuhr, T.; Kurata, M.; Kwang, S.; Laasanen, A.T.; Lami, S.; Lammel, S.; Lancaster, M.; Lander, R.L.; Lannon, K.; Lath, A.; Latino, G.; Lazzizzera, I.; LeCompte, T.; Lee, E.; Lee, H.S.; Lee, J.S.; Lee, S.W.; Leo, S.; Leone, S.; Lewis, J.D.; Lin, C.J.; Linacre, J.; Lindgren, M.; Lipeles, E.; Lister, A.; Litvintsev, D.O.; Liu, C.; Liu, Q.; Liu, T.; Lockwitz, S.; Lockyer, N.S.; Loginov, A.; Lucchesi, D.; Lueck, J.; Lujan, P.; Lukens, P.; Lungu, G.; Lys, J.; Lysak, R.; Madrak, R.; Maeshima, K.; Makhoul, K.; Maksimovic, P.; Malik, S.; Manca, G.; Manousakis-Katsikakis, A.; Margaroli, F.; Marino, C.; Martinez, M.; Martinez-Ballarin, R.; Mastrandrea, P.; Mathis, M.; Mattson, M.E.; Mazzanti, P.; McFarland, K.S.; McIntyre, P.; McNulty, R.; Mehta, A.; Mehtala, P.; Menzione, A.; Mesropian, C.; Miao, T.; Mietlicki, D.; Mitra, A.; Miyake, H.; Moed, S.; Moggi, N.; Mondragon, M.N.; Moon, C.S.; Moore, R.; Morello, M.J.; Morlock, J.; Movilla Fernandez, P.; Mukherjee, A.; Muller, Th.; Murat, P.; Mussini, M.; Nachtman, J.; Nagai, Y.; Naganoma, J.; Nakano, I.; Napier, A.; Nett, J.; Neu, C.; Neubauer, M.S.; Nielsen, J.; Nodulman, L.; Norniella, O.; Nurse, E.; Oakes, L.; Oh, S.H.; Oh, Y.D.; Oksuzian, I.; Okusawa, T.; Orava, R.; Ortolan, L.; Griso, S.Pagan; Pagliarone, C.; Palencia, E.; Papadimitriou, V.; Paramonov, A.A.; Patrick, J.; Pauletta, G.; Paulini, M.; Paus, C.; Pellett, D.E.; Penzo, A.; Phillips, T.J.; Piacentino, G.; Pianori, E.; Pilot, J.; Pitts, K.; Plager, C.; Pondrom, L.; Potamianos, K.; Poukhov, O.; Prokoshin, F.; Pronko, A.; Ptohos, F.; Pueschel, E.; Punzi, G.; Pursley, J.; Rahaman, A.; Ramakrishnan, V.; Ranjan, N.; Redondo, I.; Renton, P.; Rescigno, M.; Rimondi, F.; Ristori, L.; Robson, A.; Rodrigo, T.; Rodriguez, T.; Rogers, E.; Rolli, S.; Roser, R.; Rossi, M.; Rubbo, F.; Ruffini, F.; Ruiz, A.; Russ, J.; Rusu, V.; Safonov, A.; Sakumoto, W.K.; Sakurai, Y.; Santi, L.; Sartori, L.; Sato, K.; Saveliev, V.; Savoy-Navarro, A.; Schlabach, P.; Schmidt, A.; Schmidt, E.E.; Schmidt, M.P.; Schmitt, M.; Schwarz, T.; Scodellaro, L.; Scribano, A.; Scuri, F.; Sedov, A.; Seidel, S.; Seiya, Y.; Semenov, A.; Sforza, F.; Sfyrla, A.; Shalhout, S.Z.; Shears, T.; Shepard, P.F.; Shimojima, M.; Shiraishi, S.; Shochet, M.; Shreyber, I.; Simonenko, A.; Sinervo, P.; Sissakian, A.; Sliwa, K.; Smith, J.R.; Snider, F.D.; Soha, A.; Somalwar, S.; Sorin, V.; Squillacioti, P.; Stancari, M.; Stanitzki, M.; Denis, R.St.; Stelzer, B.; Stelzer-Chilton, O.; Stentz, D.; Strologas, J.; Strycker, G.L.; Sudo, Y.; Sukhanov, A.; Suslov, I.; Takemasa, K.; Takeuchi, Y.; Tang, J.; Tecchio, M.; Teng, P.K.; Thom, J.; Thome, J.; Thompson, G.A.; Thomson, E.; Ttito-Guzman, P.; Tkaczyk, S.; Toback, D.; Tokar, S.; Tollefson, K.; Tomura, T.; Tonelli, D.; Torre, S.; Torretta, D.; Totaro, P.; Trovato, M.; Tu, Y.; Ukegawa, F.; Uozumi, S.; Varganov, A.; Vazquez, F.; Velev, G.; Vellidis, C.; Vidal, M.; Vila, I.; Vilar, R.; Vogel, M.; Volpi, G.; Wagner, P.; Wagner, R.L.; Wakisaka, T.; Wallny, R.; Wang, S.M.; Warburton, A.; Waters, D.; Weinberger, M.; Wester, W.C., III; Whitehouse, B.; Whiteson, D.; Wicklund, A.B.; Wicklund, E.; Wilbur, S.; Wick, F.; Williams, H.H.; Wilson, J.S.; Wilson, P.; Winer, B.L.; Wittich, P.; Wolbers, S.; Wolfe, H.; Wright, T.; Wu, X.; Wu, Z.; Yamamoto, K.; Yamaoka, J.; Yang, T.; Yang, U.K.; Yang, Y.C.; Yao, W.M.; Yeh, G.P.; Yi, K.; Yoh, J.; Yorita, K.; Yoshida, T.; Yu, G.B.; Yu, I.; Yu, S.S.; Yun, J.C.; Zanetti, A.; Zeng, Y.; Zucchelli, S.

    2011-01-01

    We present a new measurement of the inclusive forward-backward t-tbar production asymmetry and its rapidity and mass dependence. The measurements are performed with 5.3 fb^{-1} of p-pbar collisions at \\sqrt{s} = 1.96 TeV, recorded with CDF II at the Fermilab Tevatron. Significant inclusive asymmetries are observed in the laboratory and t-tbar rest frame, and are consistent with CP conservation under interchange of t and tbar. In the t-tbar rest frame, the asymmetry increases with the t-tbar rapidity difference, \\Delta(y), and with the invariant mass M_{t-tbar} of the t-tbar system. Parton-level asymmetries are derived in two regions of each variable, and the asymmetry is found to be most significant at large \\Delta(y) and M_{t-tbar}. For M_{t-tbar} > 450 GeV/c^2, the parton-level asymmetry in the t-tbar rest frame is A^{t-tbar} = 0.475\\pm 0.114 compared to a next-to-leading order QCD prediction of 0.088\\pm 0.013.

  12. Retired A Stars and Their Companions VI. A Pair of Interacting Exoplanet Pairs Around the Subgiants 24 Sextanis and HD200964

    CERN Document Server

    Johnson, John Asher; Howard, Andrew W; Clubb, Kelsey I; Ford, Eric B; Bowler, Brendan P; Henry, Gregory W; Fischer, Debra A; Marcy, Geoffrey W; Brewer, John M; Schwab, Christian; Reffert, Sabine; Lowe, Thomas B

    2010-01-01

    We report radial velocity measurements of the G-type subgiants 24 Sextanis (=HD90043) and HD200964. Both are massive, evolved stars that exhibit periodic variations due to the presence of a pair of Jovian planets. Photometric monitoring with the T12 0.80m APT at Fairborn Observatory demonstrates both stars to be constant in brightness to <= 0.002 mag, thus strengthening the planetary interpretation of the radial velocity variations. 24 Sex b,c have orbital periods of 453.8 days and 883~days, corresponding to semimajor axes 1.333 AU and 2.08 AU, and minimum masses (Msini) 1.99 Mjup and 0.86 Mjup, assuming a stellar mass 1.54 Msun. HD200964 b,c have orbital periods of 613.8 days and 825 days, corresponding to semimajor axes 1.601 AU and 1.95 AU, and minimum masses 1.85 Mjup and 0.90 Mjup, assuming M* = 1.44 Msun. We also carry out dynamical simulations to properly account for gravitational interactions between the planets. Most, if not all, of the dynamically stable solutions include crossing orbits, suggest...

  13. Discovering Pair-Wise Genetic Interactions: An Information Theory-Based Approach

    Science.gov (United States)

    Ignac, Tomasz M.; Skupin, Alexander; Sakhanenko, Nikita A.; Galas, David J.

    2014-01-01

    Phenotypic variation, including that which underlies health and disease in humans, results in part from multiple interactions among both genetic variation and environmental factors. While diseases or phenotypes caused by single gene variants can be identified by established association methods and family-based approaches, complex phenotypic traits resulting from multi-gene interactions remain very difficult to characterize. Here we describe a new method based on information theory, and demonstrate how it improves on previous approaches to identifying genetic interactions, including both synthetic and modifier kinds of interactions. We apply our measure, called interaction distance, to previously analyzed data sets of yeast sporulation efficiency, lipid related mouse data and several human disease models to characterize the method. We show how the interaction distance can reveal novel gene interaction candidates in experimental and simulated data sets, and outperforms other measures in several circumstances. The method also allows us to optimize case/control sample composition for clinical studies. PMID:24670935

  14. Correlation between d-wave pairing behavior and magnetic-field-dependent zero-bias conductance peak

    Energy Technology Data Exchange (ETDEWEB)

    Ekin, J.W.; Xu, Y. [Electromagnetic Technology Division, NIST, Boulder, Colorado 80303 (United States); Mao, S.; Venkatesan, T. [University of Maryland, College Park, Maryland 20742 (United States); Face, D.W. [DuPont Central Research and Development, Wilmington, Delaware 19880-0304 (United States); Eddy, M. [Superconductor Technologies, Inc., Santa Barbara, California 93111-2310 (United States); Wolf, S.A. [Naval Research Laboratory, Washington, DC 20375 (United States)

    1997-12-01

    We consistently observe a magnetic-field-dependent conductance peak at zero-bias voltage in a wide range of superconductor/noble-metal junctions fabricated from oxide superconductors (YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} and Tl{sub 2}Ba{sub 2}CaCu{sub 2}O) that have been reported to exhibit d-wave pairing behavior; however, no measurable peak appears in similar junctions made from an s-wave oxide superconductor (Nd{sub 1.85}Ce{sub 0.15}CuO{sub 4}). Explanations of this correlation are considered in terms of the Appelbaum-Anderson model for magnetic interface scattering and the midgap-state model for d-wave interface states. {copyright} {ital 1997} {ital The American Physical Society}

  15. arXiv NLO predictions for Higgs boson pair production with full top quark mass dependence matched to parton showers

    CERN Document Server

    Heinrich, G.; Kerner, M.; Luisoni, G.; Vryonidou, E.

    2017-08-21

    We present the first combination of NLO QCD matrix elements for di-Higgs production, retaining the full top quark mass dependence, with a parton shower. Results are provided within both the POWHEG-BOX and MadGraph5_aMC@NLO Monte Carlo frameworks. We assess in detail the theoretical uncertainties and provide differential results. We find that, as expected, the shower effects are relatively large for observables like the transverse momentum of the Higgs boson pair, which are sensitive to extra radiation. However, these shower effects are still much smaller than the differences between the Born-improved HEFT approximation and the full NLO calculation in the tails of the distributions.

  16. NLO predictions for Higgs boson pair production with full top quark mass dependence matched to parton showers arXiv

    CERN Document Server

    Heinrich, G.; Kerner, M.; Luisoni, G.; Vryonidou, E.

    We present the first combination of NLO QCD matrix elements for di-Higgs production, retaining the full top quark mass dependence, with a parton shower. Results are provided within both the POWHEG-BOX and MadGraph5_aMC@NLO Monte Carlo frameworks. We assess in detail the theoretical uncertainties and provide differential results. We find that, as expected, the shower effects are relatively large for observables like the transverse momentum of the Higgs boson pair, which are sensitive to extra radiation. However, these shower effects are still much smaller than the differences between the Born-improved HEFT approximation and the full NLO calculation in the tails of the distributions.

  17. Simulations of circular dichroism spectra of a pair of diterpene enantiomers by time-dependent density functional theory

    Science.gov (United States)

    Liaw, Chih-Chuang; Chang, Jia-Lin; Chen, Shou-Fong; Huang, Jhih-Hong; Sie, Jyun-Fu; Cheng, Yung-Yi

    2011-11-01

    We present the first theoretical study on a pair of diterpene enantiomers of formula C 21H 34O 5, which were newly isolated from plants and identified as 3β,5β-dihydroxy-16 α/ β-methoxyhalima-13(14)-en-15,16-olide. The equilibrium geometries and harmonic vibrational frequencies of their low-lying conformers were obtained by using the AM1 and B3LYP/6-31+G(d) methods. At the optimized geometries, rotatory strengths of six excited states of each conformer were computed by the time-dependent density functional theory. The electronic circular dichroism spectra were simulated by taking Boltzmann averaging and considering the solvent effect, from which the absolute configurations of the enantiomers were determined. Their vibrational circular dichroism spectra were also predicted.

  18. Pairing versus quarteting coherence length

    CERN Document Server

    Delion, Doru S

    2015-01-01

    We systematically analyse the coherence length in even-even nuclei. The pairing coherence length in the spin-singlet channel for the effective density dependent delta (DDD) and Gaussian interaction is estimated. We consider in our calculations bound states as well as narrow resonances. It turns out that the pairing gaps given by the DDD interaction are similar to those of the Gaussian potential if one renormalizes the radial width to the nuclear radius. The correlations induced by the pairing interaction have in all considered cases a long range character inside the nucleus and decrease towards the surface. The mean coherence length is larger than the geometrical radius for light nuclei and approaches this value for heavy nuclei. The effect of the temperature and states in continuum is investigated. Strong shell effects are evidenced, especially for protons. We generalize this concept to quartets by considering similar relations, but between proton and neutron pairs. The quartet coherence length has a similar...

  19. Cold Fermions with Pairing Interactions: New Results Based on Fluiddynamical Descriptions

    Science.gov (United States)

    Capuzzi, P.; Hernández, E. S.; Szybisz, L.

    2012-03-01

    We present a rigorous derivation of the moment hierarchy of the density and pair density matrices of a two species fermion superfluid in coordinate representation. We discuss the tools to truncate at any desired level and present the derivation of the Extended Superfluid Thomas-Fermi (ESTF) fluiddynamical scheme. In order to establish the equation of state in equilibrium to be incorporated in the truncation, we extend the method of Papenbrock and Bertsch. We examine the dynamics of fluctuations in homogeneous fermion matter and show that it is consistent with the ordinary Random-Phase-approximation. We discuss some numerical results for equilibrium profiles and collective fluctuations of trapped cold gases.

  20. Interactive View-Dependent Rendering of Large Isosurfaces

    Energy Technology Data Exchange (ETDEWEB)

    Gregorski, B; Duchaineau, M; Lindstrom, P; Pascucci, V; Joy, K I

    2002-11-19

    We present an algorithm for interactively extracting and rendering isosurfaces of large volume datasets in a view-dependent fashion. A recursive tetrahedral mesh refinement scheme, based on longest edge bisection, is used to hierarchically decompose the data into a multiresolution structure. This data structure allows fast extraction of arbitrary isosurfaces to within user specified view-dependent error bounds. A data layout scheme based on hierarchical space filling curves provides access to the data in a cache coherent manner that follows the data access pattern indicated by the mesh refinement.

  1. Enthalpy pair coefficients of interaction for DL-valine in aqueous solutions of polyatomic alcohols at 298 K

    Science.gov (United States)

    Mezhevoi, I. N.; Badelin, V. G.

    2013-12-01

    Integral enthalpies of dissolution Δsol H m of DL-valine are measured via calorimetry of dissolution in aqueous solutions of glycerol, ethylene glycol, and 1,2-propylene glycol. Standard values of the enthalpies of dissolution (Δsol H ○) and transfer (Δtr H ○) of amino acid from water to mixed solvent are calculated from the resulting experimental data. The enthalpy coefficients for pair interactions hxy of amino acid with polyatomic alcohol molecules are calculated using the McMillan-Meyer theory and have positive values. The obtained results are discussed in light of the theory of the predomination of various types of interactions in mixed solutions and the effect of structural features of interacting biomolecules on the thermochemical parameters of the dissolution of amino acids.

  2. Enthalpic Pair Interaction of Rubidium Chloride with α-Amino Acid in Water at 298.15K

    Institute of Scientific and Technical Information of China (English)

    胡满成; 杨茜; 蒋育澄; 夏树屏

    2005-01-01

    The mixing enthalpies of aqueous heavy rare alkali metal chloride RbC1 solutions with aqueous α-amino acid (Loglycine, L-alanine and α-aminobutyric acid) solutions, as well as the dilution enthalpies of RbC1 and α-amino acid solutions in pure water had been measured at 298.15K. The transfer enthalpies of RbCI from pure water to aqueous α-amino acid solutions could be obtained from these data. The enthalpic pair interaction parameters of RbC1 with α-amino acid in water have been evaluated according to the McMillan-Mayer theory and discussed in terms of the electrostatic interaction, structure interaction and Savage-wood group additivity mode.

  3. A theoretical study on the frequency-dependent electric conductivity of electrolyte solutions. II. Effect of hydrodynamic interaction.

    Science.gov (United States)

    Yamaguchi, T; Matsuoka, T; Koda, S

    2009-03-07

    The theory on the frequency-dependent electric conductivity of electrolyte solutions proposed previously by Yamaguchi et al. [J. Chem. Phys. 127, 234501 (2007)] is extended to include the hydrodynamic interaction between ions. The theory is applied to the aqueous solution of NaCl and the concentration dependence of the conductivity agrees well with that determined by experiments. The effects of the hydrodynamic and relaxation effects are highly nonadditive in the concentrated solution, because the hydrodynamic interaction between ions affects the time-dependent response of the ionic atmosphere. The decrease in the electric conductivity is divided into the contributions of ion pair distribution at various distances. The long-range ionic atmosphere plays a major role at the concentration as low as 0.01 mol/kg, whereas the contribution of the contact ion pair region is important at 1 mol/kg. The magnitude of the contribution of the contact ion pair region is scarcely dependent on the presence of the hydrodynamic interaction. The transport number of cation is calculated to be a decreasing function of concentration as is observed in experiments.

  4. Thermochemical and kinetic evidence for nucleotide-sequence-dependent RecA-DNA interactions.

    Science.gov (United States)

    Wittung, P; Ellouze, C; Maraboeuf, F; Takahashi, M; Nordèn, B

    1997-05-01

    RecA catalyses homologous recombination in Escherichia coli by promoting pairing of homologous DNA molecules after formation of a helical nucleoprotein filament with single-stranded DNA. The primary reaction of RecA with DNA is generally assumed to be unspecific. We show here, by direct measurement of the interaction enthalpy by means of isothermal titration calorimetry, that the polymerisation of RecA on single-stranded DNA depends on the DNA sequence, with a high exothermic preference for thymine bases. This enthalpic sequence preference of thymines by RecA correlates with faster binding kinetics of RecA to thymine DNA. Furthermore, the enthalpy of interaction between the RecA x DNA filament and a second DNA strand is large only when the added DNA is complementary to the bound DNA in RecA. This result suggests a possibility for a rapid search mechanism by RecA x DNA filaments for homologous DNA molecules.

  5. Utilizing ion-pairing hydrophilic interaction chromatography solid phase extraction for efficient glycopeptide enrichment in glycoproteomics

    DEFF Research Database (Denmark)

    Mysling, Simon; Palmisano, Giuseppe; Højrup, Peter;

    2010-01-01

    Glycopeptide enrichment is a prerequisite to enable structural characterization of protein glycosylation in glycoproteomics. Here we present an improved method for glycopeptide enrichment based on zwitter-ionic hydrophilic interaction chromatography solid phase extraction (ZIC-HILIC SPE...

  6. Monojet searches for momentum-dependent dark matter interactions

    CERN Document Server

    Barducci, Daniele; Desai, Nishita; Frigerio, Michele; Fuks, Benjamin; Goudelis, Andreas; Kulkarni, Suchita; Polesello, Giacomo; Sengupta, Dipan

    2016-01-01

    We consider minimal dark matter scenarios featuring momentum-dependent couplings of the dark sector to the Standard Model. We derive constraints from existing LHC searches in the monojet channel, estimate the future LHC sensitivity for an integrated luminosity of 300 fb$^{-1}$, and compare with models exhibiting conventional momentum-independent interactions with the dark sector. In addition to being well motivated by (composite) pseudo-Goldstone dark matter scenarios, momentum-dependent couplings are interesting as they weaken direct detection constraints. For a specific dark matter mass, the LHC turns out to be sensitive to smaller signal cross-sections in the momentum-dependent case, by virtue of the harder jet transverse-momentum distribution.

  7. Particle-Hole Symmetry in Generalized Seniority, Microscopic Interacting Boson (Fermion) Model, Nucleon-Pair Approximation, and Others

    CERN Document Server

    Jia, L Y

    2016-01-01

    The particle-hole symmetry (equivalence) of the full shell-model Hilbert space is straightforward and routinely used in practical calculations. In this work we show that this symmetry is preserved in the subspace truncated at a certain generalized seniority, and give the explicit transformation between the states in the two types (particle and hole) of representations. Based on the results, we study the particle-hole symmetry in popular theories that could be regarded as further truncations on top of the generalized seniority, including the microscopic interacting boson (fermion) model, the nucleon-pair approximation, and others.

  8. Reduced atomic pair-interaction design (RAPID) model for simulations of proteins.

    Science.gov (United States)

    Ni, Boris; Baumketner, Andrij

    2013-02-14

    Increasingly, theoretical studies of proteins focus on large systems. This trend demands the development of computational models that are fast, to overcome the growing complexity, and accurate, to capture the physically relevant features. To address this demand, we introduce a protein model that uses all-atom architecture to ensure the highest level of chemical detail while employing effective pair potentials to represent the effect of solvent to achieve the maximum speed. The effective potentials are derived for amino acid residues based on the condition that the solvent-free model matches the relevant pair-distribution functions observed in explicit solvent simulations. As a test, the model is applied to alanine polypeptides. For the chain with 10 amino acid residues, the model is found to reproduce properly the native state and its population. Small discrepancies are observed for other folding properties and can be attributed to the approximations inherent in the model. The transferability of the generated effective potentials is investigated in simulations of a longer peptide with 25 residues. A minimal set of potentials is identified that leads to qualitatively correct results in comparison with the explicit solvent simulations. Further tests, conducted for multiple peptide chains, show that the transferable model correctly reproduces the experimentally observed tendency of polyalanines to aggregate into β-sheets more strongly with the growing length of the peptide chain. Taken together, the reported results suggest that the proposed model could be used to succesfully simulate folding and aggregation of small peptides in atomic detail. Further tests are needed to assess the strengths and limitations of the model more thoroughly.

  9. Enantiomeric pair of copper(II) polypyridyl-alanine complexes: Effect of chirality on their interaction with biomolecules.

    Science.gov (United States)

    Ng, Chew Hee; Chan, Cheang Wei; Lai, Jing Wei; Ooi, Ing Hong; Chong, Kok Vei; Maah, Mohd Jamil; Seng, Hoi Ling

    2016-07-01

    Like chiral organic drugs, the chemical and biological properties of metal complexes can be dependent on chirality. Two pairs of [Cu(phen)(ala)(H2O)]X·xH2O (phen=1.10-phenanthroline: X=NO3(-); ala: l-alanine (l-ala), 1 and d-alanine (d-ala) 2; and (X=Cl(-); ala: l-ala, 3 and d-ala, 4) complex salts (x=number of lattice water molecules) have been synthesized and characterized. The crystal structure of 3 has been determined. The same pair of enantiomeric species, viz. [Cu(phen)(l-ala)(H2O)](+) and [Cu(phen)(d-ala)(H2O)](+), have been identified to be present in the aqueous solutions of both 1 and 3, and in those of both 2 and 4 respectively. Both 3 and 4 bind more strongly to ds(AT)6 than ds(CG)6. There is no or insignificant effect of the chirality of 3 and 4 on the production of hydroxyl radicals, binding to deoxyribonucleic acid from calf thymus (CT-DNA), ds(CG)6, G-quadruplex and 17-base pair duplex, and inhibition of both topoisomerase I and proteasome. Among the three proteasome proteolytic sites, the trypsin-like site is inhibited most strongly by these complexes. However, the chirality of 3 and 4 does affect the number of restriction enzymes inhibited, and their binding constants towards ds(AT)6 and serum albumin.

  10. The tilt-dependent potential of mean force of a pair of DNA oligomers from all-atom molecular dynamics simulations

    Science.gov (United States)

    Cortini, Ruggero; Cheng, Xiaolin; Smith, Jeremy C.

    2017-03-01

    Electrostatic interactions between DNA molecules have been extensively studied experimentally and theoretically, but several aspects (e.g. its role in determining the pitch of the cholesteric DNA phase) still remain unclear. Here, we performed large-scale all-atom molecular dynamics simulations in explicit water and 150 mM sodium chloride, to reconstruct the potential of mean force (PMF) of two DNA oligomers 24 base pairs long as a function of their interaxial angle and intermolecular distance. We find that the potential of mean force is dominated by total DNA charge, and not by the helical geometry of its charged groups. The theory of homogeneously charged cylinders fits well all our simulation data, and the fit yields the optimal value of the total compensated charge on DNA to  ≈65% of its total fixed charge (arising from the phosphorous atoms), close to the value expected from Manning’s theory of ion condensation. The PMF calculated from our simulations does not show a significant dependence on the handedness of the angle between the two DNA molecules, or its size is on the order of 1{{k}\\text{B}}T . Thermal noise for molecules of the studied length seems to mask the effect of detailed helical charge patterns of DNA. The fact that in monovalent salt the effective interaction between two DNA molecules is independent on the handedness of the tilt may suggest that alternative mechanisms are required to understand the cholesteric phase of DNA.

  11. A transmon quantum annealer: decomposing many-body Ising constraints into pair interactions

    Science.gov (United States)

    Leib, Martin; Zoller, Peter; Lechner, Wolfgang

    2016-12-01

    Adiabatic quantum computing is an analogue quantum computing scheme with various applications in solving optimisation problems. In the parity picture of quantum optimization, the problem is encoded in local fields that act on qubits that are connected via local four-body terms We present an implementation of a parity annealer with Transmon qubits with a specifically tailored Ising interaction from Josephson ring modulators.

  12. Enthalpy of interaction between coaggregating and non-coaggregating oral bacterials pairs - a microcalorimetric study

    NARCIS (Netherlands)

    Postollec, F.; Norde, W.; Mei, van der H.C.; Busscher, H.J.

    2003-01-01

    Bacterial adhesion and coaggregation are involved in the development of oral biofilms, called dental plaque. Although various techniques have already been used to study different aspects of these bacterial interactions, microcalorimetry has not yet been applied. This paper describes how isothermal r

  13. Enthalpy of interaction between coaggregating and non-coaggregating oral bacterial pairs - a microcalorimetric study

    NARCIS (Netherlands)

    Postollec, F; Norde, W; van der Mei, HC; Busscher, HJ

    2003-01-01

    Bacterial adhesion and coaggregation are involved in the development of oral biofilms, called dental plaque. Although various techniques have already been used to study different aspects of these bacterial interactions, microcalorimetry has not yet been applied. This paper describes how isothermal r

  14. Interaction effects on galaxy pairs with Gemini/GMOS- I: Electron density

    CERN Document Server

    Krabbe, A C; Dors, O L; Pastoriza, M G; Winge, C; Hagele, G F; Cardaci, M V; Rodrigues, I

    2013-01-01

    We present an observational study about the impacts of the interactions in the electron density of \\ion{H}{ii} regions located in 7 systems of interacting galaxies. The data consist of long-slit spectra in the range 4400-7300 A, obtained with the Gemini Multi-Object Spectrograph at Gemini South (GMOS). The electron density was determined using the ratio of emission lines [SII]6716/6731. Our results indicate that the electron density estimates obtained of HII regions from our sample of interacting galaxies are systematically higher than those derived for isolated galaxies. The mean electron density values of interacting galaxies are in the range of $N_{\\rm e}=24-532$\\,$ \\rm cm^{-3}$, while those obtained for isolated galaxies are in the range of $N_{\\rm e}=40-137\\: \\rm cm^{-3}$. Comparing the observed emission lines with predictions of photoionization models, we verified that almost all the \\ion{H}{ii} regions of the galaxies AM\\,1054A, AM\\,2058B, and AM\\,2306B, have emission lines excited by shock gas. For th...

  15. Optimal undulating swimming for a single fish-like body and for a pair of interacting swimmers

    CERN Document Server

    Maertens, Audrey P; Triantafyllou, Michael S

    2016-01-01

    We establish through numerical simulation conditions for optimal undulatory propulsion for a single fish, and for a pair of hydrodynamically interacting fish, accounting for linear and angular recoil. We first employ systematic 2D simulations to identify conditions for minimal propulsive power of a self-propelled fish, and continue with targeted 3D simulations for a danio-like fish. We find that the Strouhal number, phase angle between heave and pitch at the trailing edge, and angle of attack are principal parameters. Angular recoil has significant impact on efficiency, while optimized body bending requires maximum bending amplitude upstream of the trailing edge. For 2D simulations, imposing a deformation based on measured displacement for carangiform swimming provides efficiency of 40%, which increases for an optimized profile to 57%; for a 3D fish, the corresponding increase is from 22% to 35%; all at Reynolds number 5000. Next, we turn to 2D simulation of two hydrodynamically interacting fish. We find that...

  16. Search for extra dimensions in boson and fermion pair production in $e^{+}e^{-}$ interactions at LEP

    CERN Document Server

    Acciarri, M; Adriani, O; Aguilar-Benítez, M; Alcaraz, J; Alemanni, G; Allaby, James V; Aloisio, A; Alviggi, M G; Ambrosi, G; Anderhub, H; Andreev, V P; Angelescu, T; Anselmo, F; Arefev, A; Azemoon, T; Aziz, T; Bagnaia, P; Baksay, L; Balandras, A; Ball, R C; Banerjee, S; Banerjee, Sw; Barczyk, A; Barillère, R; Barone, L; Bartalini, P; Basile, M; Battiston, R; Bay, A; Becattini, F; Becker, U; Behner, F; Bellucci, L; Berdugo, J; Berges, P; Bertucci, B; Betev, B L; Bhattacharya, S; Biasini, M; Biland, A; Blaising, J J; Blyth, S C; Bobbink, Gerjan J; Böhm, A; Boldizsar, L; Borgia, B; Bourilkov, D; Bourquin, Maurice; Braccini, S; Branson, J G; Brigljevic, V; Brochu, F; Buffini, A; Buijs, A; Burger, J D; Burger, W J; Busenitz, J K; Button, A M; Cai, X D; Campanelli, M; Capell, M; Cara Romeo, G; Carlino, G; Cartacci, A M; Casaus, J; Castellini, G; Cavallari, F; Cavallo, N; Cecchi, C; Cerrada-Canales, M; Cesaroni, F; Chamizo-Llatas, M; Chang, Y H; Chaturvedi, U K; Chemarin, M; Chen, A; Chen, G; Chen, G M; Chen, H F; Chen, H S; Chiefari, G; Cifarelli, Luisa; Cindolo, F; Civinini, C; Clare, I; Clare, R; Coignet, G; Colijn, A P; Colino, N; Costantini, S; Cotorobai, F; Cozzoni, B; de la Cruz, B; Csilling, Akos; Cucciarelli, S; Dai, T S; van Dalen, J A; D'Alessandro, R; De Asmundis, R; Déglon, P L; Degré, A; Deiters, K; Della Volpe, D; Denes, P; De Notaristefani, F; De Salvo, A; Diemoz, M; Van Dierendonck, D N; Di Lodovico, F; Dionisi, C; Dittmar, Michael; Dominguez, A; Doria, A; Dova, M T; Duchesneau, D; Dufournaud, D; Duinker, P; Durán, I; El-Mamouni, H; Engler, A; Eppling, F J; Erné, F C; Extermann, Pierre; Fabre, M; Faccini, R; Falagán, M A; Falciano, S; Favara, A; Fay, J; Fedin, O; Felcini, Marta; Ferguson, T; Ferroni, F; Fesefeldt, H S; Fiandrini, E; Field, J H; Filthaut, Frank; Fisher, P H; Fisk, I; Forconi, G; Fredj, L; Freudenreich, Klaus; Furetta, C; Galaktionov, Yu; Ganguli, S N; García-Abia, P; Gataullin, M; Gau, S S; Gentile, S; Gheordanescu, N; Giagu, S; Gong, Z F; Grenier, G; Grimm, O; Grünewald, M W; Guida, M; van Gulik, R; Gupta, V K; Gurtu, A; Gutay, L J; Haas, D; Hasan, A; Hatzifotiadou, D; Hebbeker, T; Hervé, A; Hidas, P; Hirschfelder, J; Hofer, H; Holzner, G; Hoorani, H; Hou, S R; Iashvili, I; Jin, B N; Jones, L W; de Jong, P; Josa-Mutuberria, I; Khan, R A; Kamrad, D; Kaur, M; Kienzle-Focacci, M N; Kim, D; Kim, D H; Kim, J K; Kim, S C; Kirkby, Jasper; Kiss, D; Kittel, E W; Klimentov, A; König, A C; Kopp, A; Koutsenko, V F; Kräber, M H; Krämer, R W; Krenz, W; Kunin, A; Ladrón de Guevara, P; Laktineh, I; Landi, G; Lassila-Perini, K M; Laurikainen, P; Lebeau, M; Lebedev, A; Lebrun, P; Lecomte, P; Lecoq, P; Le Coultre, P; Lee, H J; Le Goff, J M; Leiste, R; Leonardi, E; Levchenko, P M; Li Chuan; Lin, C H; Lin, W T; Linde, Frank L; Lista, L; Liu, Z A; Lohmann, W; Longo, E; Lü, Y S; Lübelsmeyer, K; Luci, C; Luckey, D; Lugnier, L; Luminari, L; Lustermann, W; Ma Wen Gan; Maity, M; Malgeri, L; Malinin, A; Maña, C; Mangeol, D J J; Marchesini, P A; Marian, G; Martin, J P; Marzano, F; Massaro, G G G; Mazumdar, K; McNeil, R R; Mele, S; Merola, L; Meschini, M; Metzger, W J; Von der Mey, M; Mihul, A; Milcent, H; Mirabelli, G; Mnich, J; Mohanty, G B; Molnár, P; Monteleoni, B; Moulik, T; Muanza, G S; Muheim, F; Muijs, A J M; Musy, M; Napolitano, M; Nessi-Tedaldi, F; Newman, H; Niessen, T; Nisati, A; Nowak, H; Oh, Yu D; Organtini, G; Ostonen, R; Oulianov, A; Palomares, C; Pandoulas, D; Paoletti, S; Paolucci, P; Paramatti, R; Park, H K; Park, I H; Pascale, G; Passaleva, G; Patricelli, S; Paul, T; Pauluzzi, M; Paus, C; Pauss, Felicitas; Peach, D; Pedace, M; Pensotti, S; Perret-Gallix, D; Petersen, B; Piccolo, D; Pierella, F; Pieri, M; Piroué, P A; Pistolesi, E; Plyaskin, V; Pohl, M; Pozhidaev, V; Postema, H; Pothier, J; Produit, N; Prokofev, D; Prokofiev, D O; Quartieri, J; Rahal-Callot, G; Rahaman, M A; Raics, P; Raja, N; Ramelli, R; Rancoita, P G; Raven, G; Razis, P A; Ren, D; Rescigno, M; Reucroft, S; Van Rhee, T; Riemann, S; Riles, K; Robohm, A; Rodin, J; Roe, B P; Romero, L; Rosca, A; Rosier-Lees, S; Rubio, Juan Antonio; Ruschmeier, D; Rykaczewski, H; Saremi, S; Sarkar, S; Salicio, J; Sánchez, E; Sanders, M P; Sarakinos, M E; Schäfer, C; Shchegelskii, V; Schmidt-Kärst, S; Schmitz, D; Schopper, Herwig Franz; Schotanus, D J; Schwering, G; Sciacca, C; Sciarrino, D; Seganti, A; Servoli, L; Shevchenko, S; Shivarov, N; Shoutko, V; Shumilov, E; Shvorob, A V; Siedenburg, T; Son, D; Smith, B; Spillantini, P; Steuer, M; Stickland, D P; Stone, A; Stone, H; Stoyanov, B; Strässner, A; Sudhakar, K; Sultanov, G G; Sun, L Z; Suter, H; Swain, J D; Szillási, Z; Sztaricskai, T; Tang, X W; Tauscher, Ludwig; Taylor, L; Timmermans, C; Ting, Samuel C C; Ting, S M; Tonwar, S C; Tóth, J; Tully, C; Tung, K L; Uchida, Y; Ulbricht, J; Valente, E; Vesztergombi, G; Vetlitskii, I; Vicinanza, D; Viertel, Gert M; Villa, S; Vivargent, M; Vlachos, S; Vodopyanov, I; Vogel, H; Vogt, H; Vorobev, I; Vorobyov, A A; Vorvolakos, A; Wadhwa, M; Wallraff, W; Wang, M; Wang, X L; Wang, Z M; Weber, A; Weber, M; Wienemann, P; Wilkens, H; Wu, S X; Wynhoff, S; Xia, L; Xu, Z Z; Yang, B Z; Yang, C G; Yang, H J; Yang, M; Ye, J B; Yeh, S C; Zalite, A; Zalite, Yu; Zhang, Z P; Zhu, G Y; Zhu, R Y; Zichichi, A; Ziegler, F; Zilizi, G; Zöller, M

    1999-01-01

    Extra spatial dimensions are proposed by recent theories that postulate the scale of gravity to be of the same order as the electroweak scale. A sizeable interaction between gravitons and Standard Model particles is then predicted. Effects of these new interactions in boson and fermion pair production are searched for in the data sample collected at centre--of--mass energies above the Z pole by the L3 detector at LEP. In addition, the direct production of a graviton associated with a Z boson is investigated. No statistically significant hints for the existence of these effects are found and lower limits in excess of 1\\,TeV are derived on the scale of this new theory of gravity.

  17. Pairing and unpairing electron densities in organic systems: Two-electron three center through space and through bonds interactions

    Energy Technology Data Exchange (ETDEWEB)

    Lobayan, Rosana M., E-mail: rmlb@exa.unne.edu.ar [Departamento de Física, Facultad de Ciencias Exactas, Naturales y Agrimensura, Universidad Nacional del Nordeste, 3400, Corrientes (Argentina); Bochicchio, Roberto C., E-mail: rboc@df.uba.ar [Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, and IFIBA, CONICET, Ciudad Universitaria, 1428, Buenos Aires (Argentina)

    2014-05-07

    Two-electron three-center bonding interactions in organic ions like methonium (CH{sub 5}{sup +}), ethonium (C{sub 2}H{sub 7}{sup +}), and protonated alkanes n−C{sub 4}H{sub 11}{sup +} isomers (butonium cations) are described and characterized within the theoretical framework of the topological analysis of the electron density decomposition into its effectively paired and unpaired contributions. These interactions manifest in some of this type of systems as a concentration of unpaired electron cloud around the bond paths, in contrast to the well known paradigmatic boron hydrids in which it is not only concentrated close to the atomic nucleus and the bond paths but out of them and over the region defined by the involved atoms as a whole. This result permits to propose an attempt of classification for these interactions based in such manifestations. In the first type, it is called as interactions through bonds and in the second type as interactions through space type.

  18. Surface spectral function of momentum-dependent pairing potentials in a topological insulator: application to CuxBi2Se3.

    Science.gov (United States)

    Chen, Liang; Wan, Shaolong

    2013-05-29

    We propose three possible momentum-dependent pairing potentials as candidates for topological superconductors (for example CuxBi2Se3), and calculate the surface spectral function and surface density of states with these pairing potentials. We find that the first two can give the same spectral functions as the fully gapped and node-contacted pairing potentials given by Fu and Berg (2010 Phys. Rev. Lett. 105 097001), and that the third one can obtain a topological non-trivial case in which there exists a flat Andreev bound state and which preserves the threefold rotation symmetry. We hope our proposals and results will be assessed by future experiment.

  19. Spin-orbit coupling and paramagnetic relaxation in micellized triplet radical pairs. Determination of relaxation parameters from magnetic field dependences of the decay kinetics

    Science.gov (United States)

    Levin, P. P.; Kuzmin, V. A.

    1990-01-01

    The geminate recombination kinetics of the radical pairs produced by quenching of triplet benzophenone or 4-bromobenzophenone by 4-phenylphenol and 4-phenylaniline in aqueous micellar solutions of sodium dodecyl sulfate has been examined using the laser flash technique. Application of an external magnetic field results in the retardation of geminate recombination up to 20 times. The magnetic field dependences are considered in terms of a simple kinetic scheme, which includes the singlet-triplet evolution in the separated states of a pair due to hyperfine coupling and relaxation mechanisms as well as intersystem recombination process due to the spin-orbit coupling in the contact states of a pair.

  20. Observation of Transverse Spin-Dependent Azimuthal Correlations of Charged Pion Pairs in p↑+p at √{s }=200 GeV

    Science.gov (United States)

    Adamczyk, L.; Adkins, J. K.; Agakishiev, G.; Aggarwal, M. M.; Ahammed, Z.; Alekseev, I.; Alford, J.; Aparin, A.; Arkhipkin, D.; Aschenauer, E. C.; Averichev, G. S.; Banerjee, A.; Bellwied, R.; Bhasin, A.; Bhati, A. K.; Bhattarai, P.; Bielcik, J.; Bielcikova, J.; Bland, L. C.; Bordyuzhin, I. G.; Bouchet, J.; Brandin, A. V.; Bunzarov, I.; Burton, T. P.; Butterworth, J.; Caines, H.; Calderón de la Barca Sánchez, M.; Campbell, J. M.; Cebra, D.; Cervantes, M. C.; Chakaberia, I.; Chaloupka, P.; Chang, Z.; Chattopadhyay, S.; Chen, J. H.; Chen, X.; Cheng, J.; Cherney, M.; Christie, W.; Contin, G.; Crawford, H. J.; Das, S.; De Silva, L. C.; Debbe, R. R.; Dedovich, T. G.; Deng, J.; Derevschikov, A. A.; di Ruzza, B.; Didenko, L.; Dilks, C.; Dong, X.; Drachenberg, J. L.; Draper, J. E.; Du, C. M.; Dunkelberger, L. E.; Dunlop, J. C.; Efimov, L. G.; Engelage, J.; Eppley, G.; Esha, R.; Evdokimov, O.; Eyser, O.; Fatemi, R.; Fazio, S.; Federic, P.; Fedorisin, J.; Feng, Z.; Filip, P.; Fisyak, Y.; Flores, C. E.; Fulek, L.; Gagliardi, C. A.; Garand, D.; Geurts, F.; Gibson, A.; Girard, M.; Greiner, L.; Grosnick, D.; Gunarathne, D. S.; Guo, Y.; Gupta, S.; Gupta, A.; Guryn, W.; Hamad, A.; Hamed, A.; Haque, R.; Harris, J. W.; He, L.; Heppelmann, S.; Heppelmann, S.; Hirsch, A.; Hoffmann, G. W.; Hofman, D. J.; Horvat, S.; Huang, B.; Huang, X.; Huang, H. Z.; Huck, P.; Humanic, T. J.; Igo, G.; Jacobs, W. W.; Jang, H.; Jiang, K.; Judd, E. G.; Kabana, S.; Kalinkin, D.; Kang, K.; Kauder, K.; Ke, H. W.; Keane, D.; Kechechyan, A.; Khan, Z. H.; Kikola, D. P.; Kisel, I.; Kisiel, A.; Kochenda, L.; Koetke, D. D.; Kollegger, T.; Kosarzewski, L. K.; Kraishan, A. F.; Kravtsov, P.; Krueger, K.; Kulakov, I.; Kumar, L.; Kycia, R. A.; Lamont, M. A. C.; Landgraf, J. M.; Landry, K. D.; Lauret, J.; Lebedev, A.; Lednicky, R.; Lee, J. H.; Li, X.; Li, C.; Li, W.; Li, Z. M.; Li, Y.; Li, X.; Lisa, M. A.; Liu, F.; Ljubicic, T.; Llope, W. J.; Lomnitz, M.; Longacre, R. S.; Luo, X.; Ma, Y. G.; Ma, G. L.; Ma, L.; Ma, R.; Magdy, N.; Majka, R.; Manion, A.; Margetis, S.; Markert, C.; Masui, H.; Matis, H. S.; McDonald, D.; Meehan, K.; Minaev, N. G.; Mioduszewski, S.; Mohanty, B.; Mondal, M. M.; Morozov, D.; Mustafa, M. K.; Nandi, B. K.; Nasim, Md.; Nayak, T. K.; Nigmatkulov, G.; Nogach, L. V.; Noh, S. Y.; Novak, J.; Nurushev, S. B.; Odyniec, G.; Ogawa, A.; Oh, K.; Okorokov, V.; Olvitt, D.; Page, B. S.; Pak, R.; Pan, Y. X.; Pandit, Y.; Panebratsev, Y.; Pawlik, B.; Pei, H.; Perkins, C.; Peterson, A.; Pile, P.; Planinic, M.; Pluta, J.; Poljak, N.; Poniatowska, K.; Porter, J.; Posik, M.; Poskanzer, A. M.; Pruthi, N. K.; Putschke, J.; Qiu, H.; Quintero, A.; Ramachandran, S.; Raniwala, R.; Raniwala, S.; Ray, R. L.; Ritter, H. G.; Roberts, J. B.; Rogachevskiy, O. V.; Romero, J. L.; Roy, A.; Ruan, L.; Rusnak, J.; Rusnakova, O.; Sahoo, N. R.; Sahu, P. K.; Sakrejda, I.; Salur, S.; Sandweiss, J.; Sarkar, A.; Schambach, J.; Scharenberg, R. P.; Schmah, A. M.; Schmidke, W. B.; Schmitz, N.; Seger, J.; Seyboth, P.; Shah, N.; Shahaliev, E.; Shanmuganathan, P. V.; Shao, M.; Sharma, M. K.; Sharma, B.; Shen, W. Q.; Shi, S. S.; Shou, Q. Y.; Sichtermann, E. P.; Sikora, R.; Simko, M.; Skoby, M. J.; Smirnov, D.; Smirnov, N.; Song, L.; Sorensen, P.; Spinka, H. M.; Srivastava, B.; Stanislaus, T. D. S.; Stepanov, M.; Stock, R.; Strikhanov, M.; Stringfellow, B.; Sumbera, M.; Summa, B.; Sun, X.; Sun, Z.; Sun, X. M.; Sun, Y.; Surrow, B.; Svirida, N.; Szelezniak, M. A.; Tang, A. H.; Tang, Z.; Tarnowsky, T.; Tawfik, A. N.; Thomas, J. H.; Timmins, A. R.; Tlusty, D.; Tokarev, M.; Trentalange, S.; Tribble, R. E.; Tribedy, P.; Tripathy, S. K.; Trzeciak, B. A.; Tsai, O. D.; Ullrich, T.; Underwood, D. G.; Upsal, I.; Van Buren, G.; van Nieuwenhuizen, G.; Vandenbroucke, M.; Varma, R.; Vasiliev, A. N.; Vertesi, R.; Videbæk, F.; Viyogi, Y. P.; Vokal, S.; Voloshin, S. A.; Vossen, A.; Wang, G.; Wang, Y.; Wang, F.; Wang, Y.; Wang, H.; Wang, J. S.; Webb, J. C.; Webb, G.; Wen, L.; Westfall, G. D.; Wieman, H.; Wissink, S. W.; Witt, R.; Wu, Y. F.; Xiao, Z. G.; Xie, W.; Xin, K.; Xu, Q. H.; Xu, Z.; Xu, H.; Xu, N.; Xu, Y. F.; Yang, Q.; Yang, Y.; Yang, S.; Yang, Y.; Yang, C.; Ye, Z.; Yepes, P.; Yi, L.; Yip, K.; Yoo, I.-K.; Yu, N.; Zbroszczyk, H.; Zha, W.; Zhang, X. P.; Zhang, J.; Zhang, Y.; Zhang, J.; Zhang, J. B.; Zhang, S.; Zhang, Z.; Zhao, J.; Zhong, C.; Zhou, L.; Zhu, X.; Zoulkarneeva, Y.; Zyzak, M.; STAR Collaboration

    2015-12-01

    We report the observation of transverse polarization-dependent azimuthal correlations in charged pion pair production with the STAR experiment in p↑+p collisions at RHIC. These correlations directly probe quark transversity distributions. We measure signals in excess of 5 standard deviations at high transverse momenta, at high pseudorapidities η >0.5 , and for pair masses around the mass of the ρ meson. This is the first direct transversity measurement in p +p collisions.

  1. Observation of Transverse Spin-Dependent Azimuthal Correlations of Charged Pion Pairs in p^{↑}+p at sqrt[s]=200  GeV.

    Science.gov (United States)

    Adamczyk, L; Adkins, J K; Agakishiev, G; Aggarwal, M M; Ahammed, Z; Alekseev, I; Alford, J; Aparin, A; Arkhipkin, D; Aschenauer, E C; Averichev, G S; Banerjee, A; Bellwied, R; Bhasin, A; Bhati, A K; Bhattarai, P; Bielcik, J; Bielcikova, J; Bland, L C; Bordyuzhin, I G; Bouchet, J; Brandin, A V; Bunzarov, I; Burton, T P; Butterworth, J; Caines, H; Calderón de la Barca Sánchez, M; Campbell, J M; Cebra, D; Cervantes, M C; Chakaberia, I; Chaloupka, P; Chang, Z; Chattopadhyay, S; Chen, J H; Chen, X; Cheng, J; Cherney, M; Christie, W; Contin, G; Crawford, H J; Das, S; De Silva, L C; Debbe, R R; Dedovich, T G; Deng, J; Derevschikov, A A; di Ruzza, B; Didenko, L; Dilks, C; Dong, X; Drachenberg, J L; Draper, J E; Du, C M; Dunkelberger, L E; Dunlop, J C; Efimov, L G; Engelage, J; Eppley, G; Esha, R; Evdokimov, O; Eyser, O; Fatemi, R; Fazio, S; Federic, P; Fedorisin, J; Feng, Z; Filip, P; Fisyak, Y; Flores, C E; Fulek, L; Gagliardi, C A; Garand, D; Geurts, F; Gibson, A; Girard, M; Greiner, L; Grosnick, D; Gunarathne, D S; Guo, Y; Gupta, S; Gupta, A; Guryn, W; Hamad, A; Hamed, A; Haque, R; Harris, J W; He, L; Heppelmann, S; Heppelmann, S; Hirsch, A; Hoffmann, G W; Hofman, D J; Horvat, S; Huang, B; Huang, X; Huang, H Z; Huck, P; Humanic, T J; Igo, G; Jacobs, W W; Jang, H; Jiang, K; Judd, E G; Kabana, S; Kalinkin, D; Kang, K; Kauder, K; Ke, H W; Keane, D; Kechechyan, A; Khan, Z H; Kikola, D P; Kisel, I; Kisiel, A; Kochenda, L; Koetke, D D; Kollegger, T; Kosarzewski, L K; Kraishan, A F; Kravtsov, P; Krueger, K; Kulakov, I; Kumar, L; Kycia, R A; Lamont, M A C; Landgraf, J M; Landry, K D; Lauret, J; Lebedev, A; Lednicky, R; Lee, J H; Li, X; Li, C; Li, W; Li, Z M; Li, Y; Li, X; Lisa, M A; Liu, F; Ljubicic, T; Llope, W J; Lomnitz, M; Longacre, R S; Luo, X; Ma, Y G; Ma, G L; Ma, L; Ma, R; Magdy, N; Majka, R; Manion, A; Margetis, S; Markert, C; Masui, H; Matis, H S; McDonald, D; Meehan, K; Minaev, N G; Mioduszewski, S; Mohanty, B; Mondal, M M; Morozov, D; Mustafa, M K; Nandi, B K; Nasim, Md; Nayak, T K; Nigmatkulov, G; Nogach, L V; Noh, S Y; Novak, J; Nurushev, S B; Odyniec, G; Ogawa, A; Oh, K; Okorokov, V; Olvitt, D; Page, B S; Pak, R; Pan, Y X; Pandit, Y; Panebratsev, Y; Pawlik, B; Pei, H; Perkins, C; Peterson, A; Pile, P; Planinic, M; Pluta, J; Poljak, N; Poniatowska, K; Porter, J; Posik, M; Poskanzer, A M; Pruthi, N K; Putschke, J; Qiu, H; Quintero, A; Ramachandran, S; Raniwala, R; Raniwala, S; Ray, R L; Ritter, H G; Roberts, J B; Rogachevskiy, O V; Romero, J L; Roy, A; Ruan, L; Rusnak, J; Rusnakova, O; Sahoo, N R; Sahu, P K; Sakrejda, I; Salur, S; Sandweiss, J; Sarkar, A; Schambach, J; Scharenberg, R P; Schmah, A M; Schmidke, W B; Schmitz, N; Seger, J; Seyboth, P; Shah, N; Shahaliev, E; Shanmuganathan, P V; Shao, M; Sharma, M K; Sharma, B; Shen, W Q; Shi, S S; Shou, Q Y; Sichtermann, E P; Sikora, R; Simko, M; Skoby, M J; Smirnov, D; Smirnov, N; Song, L; Sorensen, P; Spinka, H M; Srivastava, B; Stanislaus, T D S; Stepanov, M; Stock, R; Strikhanov, M; Stringfellow, B; Sumbera, M; Summa, B; Sun, X; Sun, Z; Sun, X M; Sun, Y; Surrow, B; Svirida, N; Szelezniak, M A; Tang, A H; Tang, Z; Tarnowsky, T; Tawfik, A N; Thomas, J H; Timmins, A R; Tlusty, D; Tokarev, M; Trentalange, S; Tribble, R E; Tribedy, P; Tripathy, S K; Trzeciak, B A; Tsai, O D; Ullrich, T; Underwood, D G; Upsal, I; Van Buren, G; van Nieuwenhuizen, G; Vandenbroucke, M; Varma, R; Vasiliev, A N; Vertesi, R; Videbæk, F; Viyogi, Y P; Vokal, S; Voloshin, S A; Vossen, A; Wang, G; Wang, Y; Wang, F; Wang, Y; Wang, H; Wang, J S; Webb, J C; Webb, G; Wen, L; Westfall, G D; Wieman, H; Wissink, S W; Witt, R; Wu, Y F; Xiao, Z G; Xie, W; Xin, K; Xu, Q H; Xu, Z; Xu, H; Xu, N; Xu, Y F; Yang, Q; Yang, Y; Yang, S; Yang, Y; Yang, C; Ye, Z; Yepes, P; Yi, L; Yip, K; Yoo, I-K; Yu, N; Zbroszczyk, H; Zha, W; Zhang, X P; Zhang, J; Zhang, Y; Zhang, J; Zhang, J B; Zhang, S; Zhang, Z; Zhao, J; Zhong, C; Zhou, L; Zhu, X; Zoulkarneeva, Y; Zyzak, M

    2015-12-11

    We report the observation of transverse polarization-dependent azimuthal correlations in charged pion pair production with the STAR experiment in p^{↑}+p collisions at RHIC. These correlations directly probe quark transversity distributions. We measure signals in excess of 5 standard deviations at high transverse momenta, at high pseudorapidities η>0.5, and for pair masses around the mass of the ρ meson. This is the first direct transversity measurement in p+p collisions.

  2. Interaction effects on galaxy pairs with Gemini/GMOS- II: Oxygen abundance gradients

    CERN Document Server

    Rosa, D A; Krabbe, A C; Hagele, G F; Cardaci, M V; Pastoriza, M G; Rodrigues, I; Winge, C

    2014-01-01

    In this paper we derived oxygen abundance gradients from HII regions located in eleven galaxies in eight systems of close pairs. Long-slit spectra in the range 4400-7300A were obtained with the Gemini Multi-Object Spec- trograph at Gemini South (GMOS). Spatial profiles of oxygen abundance in the gaseous phase along galaxy disks were obtained using calibrations based on strong emission-lines (N2 and O3N2). We found oxygen gradients signifi- cantly flatter for all the studied galaxies than those in typical isolated spiral galaxies. Four objects in our sample, AM1219A, AM1256B, AM 2030A and AM2030B, show a clear break in the oxygen abundance at galactocentric radius R/R25 between 0.2 and 0.5. For AM1219A and AM1256B we found negative slopes for the inner gradients, and for AM2030B we found a positive one. In all these three cases they show a flatter behaviour to the outskirts of the galaxies. For AM2030A, we found a positive-slope outer gradient while the inner one is almost compatible with a flat behaviour. A d...

  3. Interactive fluorophore and quencher pairs for labeling fluorescent nucleic acid hybridization probes.

    Science.gov (United States)

    Marras, Salvatore A E

    2008-03-01

    The use of fluorescent nucleic acid hybridization probes that generate a fluorescence signal only when they bind to their target enables real-time monitoring of nucleic acid amplification assays. Real-time nucleic acid amplification assays markedly improves the ability to obtain qualitative and quantitative results. Furthermore, these assays can be carried out in sealed tubes, eliminating carryover contamination. Fluorescent nucleic acid hybridization probes are available in a wide range of different fluorophore and quencher pairs. Multiple hybridization probes, each designed for the detection of a different nucleic acid sequence and each labeled with a differently colored fluorophore, can be added to the same nucleic acid amplification reaction, enabling the development of high-throughput multiplex assays. In order to develop robust, highly sensitive and specific real-time nucleic acid amplification assays it is important to carefully select the fluorophore and quencher labels of hybridization probes. Selection criteria are based on the type of hybridization probe used in the assay, the number of targets to be detected, and the type of apparatus available to perform the assay. This article provides an overview of different aspects of choosing appropriate labels for the different types of fluorescent hybridization probes used with different types of spectrofluorometric thermal cyclers currently available.

  4. Incorporating Context Dependency of Species Interactions in Species Distribution Models.

    Science.gov (United States)

    Lany, Nina K; Zarnetske, Phoebe L; Gouhier, Tarik C; Menge, Bruce A

    2017-07-01

    Species distribution models typically use correlative approaches that characterize the species-environment relationship using occurrence or abundance data for a single species. However, species distributions are determined by both abiotic conditions and biotic interactions with other species in the community. Therefore, climate change is expected to impact species through direct effects on their physiology and indirect effects propagated through their resources, predators, competitors, or mutualists. Furthermore, the sign and strength of species interactions can change according to abiotic conditions, resulting in context-dependent species interactions that may change across space or with climate change. Here, we incorporated the context dependency of species interactions into a dynamic species distribution model. We developed a multi-species model that uses a time-series of observational survey data to evaluate how abiotic conditions and species interactions affect the dynamics of three rocky intertidal species. The model further distinguishes between the direct effects of abiotic conditions on abundance and the indirect effects propagated through interactions with other species. We apply the model to keystone predation by the sea star Pisaster ochraceus on the mussel Mytilus californianus and the barnacle Balanus glandula in the rocky intertidal zone of the Pacific coast, USA. Our method indicated that biotic interactions between P. ochraceus and B. glandula affected B. glandula dynamics across >1000 km of coastline. Consistent with patterns from keystone predation, the growth rate of B. glandula varied according to the abundance of P. ochraceus in the previous year. The data and the model did not indicate that the strength of keystone predation by P. ochraceus varied with a mean annual upwelling index. Balanus glandula cover increased following years with high phytoplankton abundance measured as mean annual chlorophyll-a. M. californianus exhibited the same

  5. Electromagnetic interactions in a pair of coupled split-ring resonators

    Science.gov (United States)

    Seetharaman, S. S.; King, C. G.; Hooper, I. R.; Barnes, W. L.

    2017-08-01

    Split-ring resonators (SRRs) are a fundamental building block of many electromagnetic metamaterials. Typically the response of a metamaterial is assumed to be independent of interelement interactions in the material. We show that SRRs in close proximity to each other exhibit a rich coupling that involves both electric and magnetic interactions. We study experimentally and computationally the strength and nature of the coupling between two identical SRRs as a function of their separation and relative orientation. We characterize the electric and magnetic couplings and find that, when SRRs are close enough to be in each other's near field, the electric and magnetic couplings may either reinforce each other or act in opposition. At larger separations retardation effects become important.

  6. Kinetic theory for radiation interacting with sound waves in ultrarelativistic pair plasmas

    CERN Document Server

    Marklund, M; Stenflo, L

    2006-01-01

    A kinetic theory for radiation interacting with sound waves in an ultrarelativistic electron-positron plasma is developed. It is shown that the effect of a spatial spectral broadening of the electromagnetic pulse is to introduce a reduction of the growth rates for the decay and modulational instabilities. Such spectral broadening could be due to a finite pulse coherence length, or through the use of random phase filters, and would stabilize the propagation of electromagnetic pulses.

  7. Quantum Simulation of Pairing Hamiltonians with Nearest-Neighbor Interacting Qubits

    OpenAIRE

    Wang, Zhixin; Gu, Xiu; Wu, Lian-Ao; Liu, Yu-xi

    2014-01-01

    Although a universal quantum computer is still far from reach, the tremendous advances in controllable quantum devices, in particular with solid-state systems, make it possible to physically implement "quantum simulators". Quantum simulators are physical setups able to simulate other quantum systems efficiently that are intractable on classical computers. Based on solid-state qubit systems with various types of nearest-neighbor interactions, we propose a complete set of algorithms for simulat...

  8. Interpersonal Interactions in the Marital Pair and Mental Health: A Comparative and Correlational Study

    Directory of Open Access Journals (Sweden)

    Gleiber Couto Santos

    2015-12-01

    Full Text Available AbstractInterpersonal interactions as social processes reflect and influence individuals' mental health. The aim of the study was to verify how marital interactions relate to mental health, and to investigate evidence for the validity of the Checklist for Interpersonal Transactions II (CLOIT-II. Participants were 169 couples from the southeast of the Brazilian state of Goiás, aged between 18 and 55 years ( M = 21; SD = 5.48. They responded to a General Health Questionnaire (GHQ and the CLOIT-II. Participants with low mental health problem scores in the GHQ (asymptomatic participants tended to occupy interpersonal positions in the range between Deference/Trust and Affective warmth/Friendliness. In the group with high scores (symptomatic participants, interactions were defined by Coldness/Hostility.Mental health problems were positively correlated with mistrust, coldness and hostility and negatively correlated with positions of Affiliation. These results, in addition to supporting the validity of the CLOIT-II, indicate that the study of interpersonal relationships is relevant for the understanding of mental health.

  9. Suspensions of polymer-grafted nanoparticles with added polymers-Structure and effective pair-interactions.

    Science.gov (United States)

    Chandran, Sivasurender; Saw, Shibu; Kandar, A K; Dasgupta, C; Sprung, M; Basu, J K

    2015-08-28

    We present the results of combined experimental and theoretical (molecular dynamics simulations and integral equation theory) studies of the structure and effective interactions of suspensions of polymer grafted nanoparticles (PGNPs) in the presence of linear polymers. Due to the absence of systematic experimental and theoretical studies of PGNPs, it is widely believed that the structure and effective interactions in such binary mixtures would be very similar to those of an analogous soft colloidal material-star polymers. In our study, polystyrene-grafted gold nanoparticles with functionality f = 70 were mixed with linear polystyrene (PS) of two different molecular weights for obtaining two PGNP:PS size ratios, ξ = 0.14 and 2.76 (where, ξ = Mg/Mm, Mg and Mm being the molecular weights of grafting and matrix polymers, respectively). The experimental structure factor of PGNPs could be modeled with an effective potential (Model-X), which has been found to be widely applicable for star polymers. Similarly, the structure factor of the blends with ξ = 0.14 could be modeled reasonably well, while the structure of blends with ξ = 2.76 could not be captured, especially for high density of added polymers. A model (Model-Y) for effective interactions between PGNPs in a melt of matrix polymers also failed to provide good agreement with the experimental data for samples with ξ = 2.76 and high density of added polymers. We tentatively attribute this anomaly in modeling the structure factor of blends with ξ = 2.76 to the questionable assumption of Model-X in describing the added polymers as star polymers with functionality 2, which gets manifested in both polymer-polymer and polymer-PGNP interactions especially at higher fractions of added polymers. The failure of Model-Y may be due to the neglect of possible many-body interactions among PGNPs mediated by matrix polymers when the fraction of added polymers is high. These observations point to the need for a new framework to

  10. Framework to study dynamic dependencies in networks of interacting processes.

    Science.gov (United States)

    Chicharro, Daniel; Ledberg, Anders

    2012-10-01

    The analysis of dynamic dependencies in complex systems such as the brain helps to understand how emerging properties arise from interactions. Here we propose an information-theoretic framework to analyze the dynamic dependencies in multivariate time-evolving systems. This framework constitutes a fully multivariate extension and unification of previous approaches based on bivariate or conditional mutual information and Granger causality or transfer entropy. We define multi-information measures that allow us to study the global statistical structure of the system as a whole, the total dependence between subsystems, and the temporal statistical structure of each subsystem. We develop a stationary and a nonstationary formulation of the framework. We then examine different decompositions of these multi-information measures. The transfer entropy naturally appears as a term in some of these decompositions. This allows us to examine its properties not as an isolated measure of interdependence but in the context of the complete framework. More generally we use causal graphs to study the specificity and sensitivity of all the measures appearing in these decompositions to different sources of statistical dependence arising from the causal connections between the subsystems. We illustrate that there is no straightforward relation between the strength of specific connections and specific terms in the decompositions. Furthermore, causal and noncausal statistical dependencies are not separable. In particular, the transfer entropy can be nonmonotonic in dependence on the connectivity strength between subsystems and is also sensitive to internal changes of the subsystems, so it should not be interpreted as a measure of connectivity strength. Altogether, in comparison to an analysis based on single isolated measures of interdependence, this framework is more powerful to analyze emergent properties in multivariate systems and to characterize functionally relevant changes in the

  11. Drell-Yan lepton pair production at the LHC and transverse momentum dependent quark densities of the proton

    Science.gov (United States)

    Baranov, S. P.; Lipatov, A. V.; Zotov, N. P.

    2014-05-01

    We consider the transverse momentum dependent (TMD) quark densities of the proton which are very important ingredients for unpolarized Drell-Yan lepton pair production in proton-proton collisions at the LHC energies. We investigate the case where the gluon-to-quark splitting occurs at the last evolution step and calculate the TMD sea quark density as a convolution of the Catani-Ciafaloni-Fiorani-Marchesini-evolved gluon distribution and the TMD gluon-to-quark splitting function. This splitting function contains all single logarithmic small-x corrections to the sea quark evolution for any order of perturbation theory. Based on the O(α) production amplitude q*+q¯*→Z/γ*→l++l-, calculated by taking into account the effective q*q¯*Z/γ* vertex, we analyze the distributions on the dilepton invariant mass, transverse momentum and rapidity and specific angular correlations between the produced leptons as measured by the CMS, ATLAS and LHCb collaborations. We show that our predictions are sensitive to the TMD quark distributions of the proton.

  12. Monitoring Flower Visitation Networks and Interactions between Pairs of Bumble Bees in a Large Outdoor Flight Cage.

    Directory of Open Access Journals (Sweden)

    Mathieu Lihoreau

    Full Text Available Pollinators, such as bees, often develop multi-location routes (traplines to exploit subsets of flower patches within larger plant populations. How individuals establish such foraging areas in the presence of other foragers is poorly explored. Here we investigated the foraging patterns of pairs of bumble bees (Bombus terrestris released sequentially into an 880m2 outdoor flight cage containing 10 feeding stations (artificial flowers. Using motion-sensitive video cameras mounted on flowers, we mapped the flower visitation networks of both foragers, quantified their interactions and compared their foraging success over an entire day. Overall, bees that were released first (residents travelled 37% faster and collected 77% more nectar, thereby reaching a net energy intake rate 64% higher than bees released second (newcomers. However, this prior-experience advantage decreased as newcomers became familiar with the spatial configuration of the flower array. When both bees visited the same flower simultaneously, the most frequent outcome was for the resident to evict the newcomer. On the rare occasions when newcomers evicted residents, the two bees increased their frequency of return visits to that flower. These competitive interactions led to a significant (if only partial spatial overlap between the foraging patterns of pairs of bees. While newcomers may initially use social cues (such as olfactory footprints to exploit flowers used by residents, either because such cues indicate higher rewards and/or safety from predation, residents may attempt to preserve their monopoly over familiar resources through exploitation and interference. We discuss how these interactions may favour spatial partitioning, thereby maximising the foraging efficiency of individuals and colonies.

  13. Monitoring Flower Visitation Networks and Interactions between Pairs of Bumble Bees in a Large Outdoor Flight Cage.

    Science.gov (United States)

    Lihoreau, Mathieu; Chittka, Lars; Raine, Nigel E

    2016-01-01

    Pollinators, such as bees, often develop multi-location routes (traplines) to exploit subsets of flower patches within larger plant populations. How individuals establish such foraging areas in the presence of other foragers is poorly explored. Here we investigated the foraging patterns of pairs of bumble bees (Bombus terrestris) released sequentially into an 880m2 outdoor flight cage containing 10 feeding stations (artificial flowers). Using motion-sensitive video cameras mounted on flowers, we mapped the flower visitation networks of both foragers, quantified their interactions and compared their foraging success over an entire day. Overall, bees that were released first (residents) travelled 37% faster and collected 77% more nectar, thereby reaching a net energy intake rate 64% higher than bees released second (newcomers). However, this prior-experience advantage decreased as newcomers became familiar with the spatial configuration of the flower array. When both bees visited the same flower simultaneously, the most frequent outcome was for the resident to evict the newcomer. On the rare occasions when newcomers evicted residents, the two bees increased their frequency of return visits to that flower. These competitive interactions led to a significant (if only partial) spatial overlap between the foraging patterns of pairs of bees. While newcomers may initially use social cues (such as olfactory footprints) to exploit flowers used by residents, either because such cues indicate higher rewards and/or safety from predation, residents may attempt to preserve their monopoly over familiar resources through exploitation and interference. We discuss how these interactions may favour spatial partitioning, thereby maximising the foraging efficiency of individuals and colonies.

  14. Electronic structure of an anticancer drug DC81 and its interaction with DNA base pairs

    Energy Technology Data Exchange (ETDEWEB)

    Tiwari, Gargi, E-mail: gargi.tiwari@rediffmail.com; Sharma, Dipendra, E-mail: d-11sharma@rediffmail.com; Dwivedi, K. K., E-mail: dwivedikarunesh4@gmail.com [Department of Physics, DDU Gorakhpur University, Gorakhpur (India); Dwivedi, M. K., E-mail: dwivedi-ji@rediffmail.com [Department of Physics, Banaras Hindu University, Varanasi (India)

    2016-05-06

    The drug, 8-Hydroxy-7-methoxy-pyrrolo-[2,1-c][1,4] benzodiazepine-5-one, commonly christened as DC81 belongs to the pyrrolo-[2,1-c][1,4]benzodiazepine (PBDs) family. It is a member of the group of naturally occurring antitumour antibiotics produced by various Streptomyces species. The antitumour activity of DC81 is attributed to its sequence specific interaction with G-C rich DNA region in particular, for Pu-G-Pu motifs. In the present paper, physico-chemical properties DC81 have been carried out using an ab-initio method, HF/6-31G(d,p) with GAMESS program. MEP, HOMO and LUMO surfaces have been scanned. Ionization potential, electron affinity, electronegativity, global hardness and softness of the drug have been calculated. Further, drug-DNA interactions have been examined using modified second order perturbation theory along with multicentred-multipole expansion technique. Results have been discussed in the light of other theoretical and experimental observations. Efforts have been made to elucidate the binding patterns and thereby biological properties of the drug.

  15. A model study on a pair of trapped particles interacting with an arbitrary effective range

    CERN Document Server

    Goswami, Partha

    2016-01-01

    We study the effects of the effective range of interaction on the eigenvalues and eigenstates of two particles confined in a three-dimensional (3D) isotropic as well as one- or quasi-one dimensional harmonic (1D) traps. For this we employ model potentials which mimic finite-range s-wave interactions over a wide range of s-wave scattering length $a_s$ including the unitarity limits $a_s \\rightarrow \\pm\\infty$. Our results show that when the range is larger than the 3D or 1D harmonic oscillator length scale, the eigenvalues and eigenstates are nearly similar to those of noninteracting two particles in the 3D or 1D trap, respectively. In case of 3D, we find that when the range goes to zero, the results of contact potential as derived by Busch {\\it et al.} [Foundations of Physics, {\\bf28}, 549 (1998)] are reproduced. However, in the case of 1D, such reproducibility does not occur as the range goes to zero. We have calculated the eigenvalues and eigenstates in 1D harmonic trap taking one-dimensional finite- range ...

  16. Electronic structure of an anticancer drug DC81 and its interaction with DNA base pairs

    Science.gov (United States)

    Tiwari, Gargi; Sharma, Dipendra; Dwivedi, K. K.; Dwivedi, M. K.

    2016-05-01

    The drug, 8-Hydroxy-7-methoxy-pyrrolo-[2,1-c][1,4] benzodiazepine-5-one, commonly christened as DC81 belongs to the pyrrolo-[2,1-c][1,4]benzodiazepine (PBDs) family. It is a member of the group of naturally occurring antitumour antibiotics produced by various Streptomyces species. The antitumour activity of DC81 is attributed to its sequence specific interaction with G-C rich DNA region in particular, for Pu-G-Pu motifs. In the present paper, physico-chemical properties DC81 have been carried out using an ab-initio method, HF/6-31G(d,p) with GAMESS program. MEP, HOMO and LUMO surfaces have been scanned. Ionization potential, electron affinity, electronegativity, global hardness and softness of the drug have been calculated. Further, drug-DNA interactions have been examined using modified second order perturbation theory along with multicentred-multipole expansion technique. Results have been discussed in the light of other theoretical and experimental observations. Efforts have been made to elucidate the binding patterns and thereby biological properties of the drug.

  17. Observation of Transverse Spin-Dependent Azimuthal Correlations of Charged Pion Pairs in $p^\\uparrow+p$ at $\\sqrt{s}=200$ GeV

    CERN Document Server

    Adamczyk, L; Agakishiev, G; Aggarwal, M M; Ahammed, Z; Alekseev, I; Alford, J; Aparin, A; Arkhipkin, D; Aschenauer, E C; Averichev, G S; Banerjee, A; Bellwied, R; Bhasin, A; Bhati, A K; Bhattarai, P; Bielcik, J; Bielcikova, J; Bland, L C; Bordyuzhin, I G; Bouchet, J; Brandin, A V; Bunzarov, I; Burton, T P; Butterworth, J; Caines, H; S'anchez, M Calder'on de la Barca; Campbell, J M; Cebra, D; Cervantes, M C; Chakaberia, I; Chaloupka, P; Chang, Z; Chattopadhyay, S; Chen, J H; Chen, X; Cheng, J; Cherney, M; Christie, W; Contin, G; Crawford, H J; Das, S; De Silva, L C; Debbe, R R; Dedovich, T G; Deng, J; Derevschikov, A A; di Ruzza, B; Didenko, L; Dilks, C; Dong, X; Drachenberg, J L; Draper, J E; Du, C M; Dunkelberger, L E; Dunlop, J C; Efimov, L G; Engelage, J; Eppley, G; Esha, R; Evdokimov, O; Eyser, O; Fatemi, R; Fazio, S; Federic, P; Fedorisin, J; Feng, Z; Filip, P; Fisyak, Y; Flores, C E; Fulek, L; Gagliardi, C A; Garand, D; Geurts, F; Gibson, A; Girard, M; Greiner, L; Grosnick, D; Gunarathne, D S; Guo, Y; Gupta, S; Gupta, A; Guryn, W; Hamad, A; Hamed, A; Haque, R; Harris, J W; He, L; Heppelmann, S; Hirsch, A; Hoffmann, G W; Hofman, D J; Horvat, S; Huang, B; Huang, X; Huang, H Z; Huck, P; Humanic, T J; Igo, G; Jacobs, W W; Jang, H; Jiang, K; Judd, E G; Kabana, S; Kalinkin, D; Kang, K; Kauder, K; Ke, H W; Keane, D; Kechechyan, A; Khan, Z H; Kikola, D P; Kisel, I; Kisiel, A; Kochenda, L; Koetke, D D; Kollegger, T; Kosarzewski, L K; Kraishan, A F; Kravtsov, P; Krueger, K; Kulakov, I; Kumar, L; Kycia, R A; Lamont, M A C; Landgraf, J M; Landry, K D; Lauret, J; Lebedev, A; Lednicky, R; Lee, J H; Li, X; Li, C; Li, W; Li, Z M; Li, Y; Lisa, M A; Liu, F; Ljubicic, T; Llope, W J; Lomnitz, M; Longacre, R S; Luo, X; Ma, Y G; Ma, G L; Ma, L; Ma, R; Magdy, N; Majka, R; Manion, A; Margetis, S; Markert, C; Masui, H; Matis, H S; McDonald, D; Meehan, K; Minaev, N G; Mioduszewski, S; Mohanty, B; Mondal, M M; Morozov, D; Mustafa, M K; Nandi, B K; Nasim, Md; Nayak, T K; Nigmatkulov, G; Nogach, L V; Noh, S Y; Novak, J; Nurushev, S B; Odyniec, G; Ogawa, A; Oh, K; Okorokov, V; Olvitt, D; Page, B S; Pak, R; Pan, Y X; Pandit, Y; Panebratsev, Y; Pawlik, B; Pei, H; Perkins, C; Peterson, A; Pile, P; Planinic, M; Pluta, J; Poljak, N; Poniatowska, K; Porter, J; Posik, M; Poskanzer, A M; Pruthi, N K; Putschke, J; Qiu, H; Quintero, A; Ramachandran, S; Raniwala, R; Raniwala, S; Ray, R L; Ritter, H G; Roberts, J B; Rogachevskiy, O V; Romero, J L; Roy, A; Ruan, L; Rusnak, J; Rusnakova, O; Sahoo, N R; Sahu, P K; Sakrejda, I; Salur, S; Sandweiss, J; Sarkar, A; Schambach, J; Scharenberg, R P; Schmah, A M; Schmidke, W B; Schmitz, N; Seger, J; Seyboth, P; Shah, N; Shahaliev, E; Shanmuganathan, P V; Shao, M; Sharma, M K; Sharma, B; Shen, W Q; Shi, S S; Shou, Q Y; Sichtermann, E P; Sikora, R; Simko, M; Skoby, M J; Smirnov, D; Smirnov, N; Song, L; Sorensen, P; Spinka, H M; Srivastava, B; Stanislaus, T D S; Stepanov, M; Stock, R; Strikhanov, M; Stringfellow, B; Sumbera, M; Summa, B; Sun, X; Sun, Z; Sun, X M; Sun, Y; Surrow, B; Svirida, N; Szelezniak, M A; Tang, A H; Tang, Z; Tarnowsky, T; Tawfik, A N; Thomas, J H; Timmins, A R; Tlusty, D; Tokarev, M; Trentalange, S; Tribble, R E; Tribedy, P; Tripathy, S K; Trzeciak, B A; Tsai, O D; Ullrich, T; Underwood, D G; Upsal, I; Van Buren, G; van Nieuwenhuizen, G; Vandenbroucke, M; Varma, R; Vasiliev, A N; Vertesi, R; Videbæk, F; Viyogi, Y P; Vokal, S; Voloshin, S A; Vossen, A; Wang, G; Wang, Y; Wang, F; Wang, H; Wang, J S; Webb, J C; Webb, G; Wen, L; Westfall, G D; Wieman, H; Wissink, S W; Witt, R; Wu, Y F; Xiao, Z G; Xie, W; Xin, K; Xu, Q H; Xu, Z; Xu, H; Xu, N; Xu, Y F; Yang, Q; Yang, Y; Yang, S; Yang, C; Ye, Z; Yepes, P; Yi, L; Yip, K; Yoo, I -K; Yu, N; Zbroszczyk, H; Zha, W; Zhang, X P; Zhang, J; Zhang, Y; Zhang, J B; Zhang, S; Zhang, Z; Zhao, J; Zhong, C; Zhou, L; Zhu, X; Zoulkarneeva, Y; Zyzak, M

    2015-01-01

    We report the observation of transverse polarization-dependent azimuthal correlations in charged pion pair production with the STAR experiment in $p^\\uparrow+p$ collisions at RHIC. These correlations directly probe quark transversity distributions. We measure signals in excess of five standard deviations at high transverse momenta, at high pseudorapidities eta>0.5, and for pair masses around the mass of the rho-meson. This is the first direct transversity measurement in p+p collisions. Comparing the results to data from lepton-nucleon scattering will test the universality of these spin-dependent quantities.

  18. Actor-network procedures: Modeling multi-factor authentication, device pairing, social interactions

    CERN Document Server

    Pavlovic, Dusko

    2011-01-01

    As computation spreads from computers to networks of computers, and migrates into cyberspace, it ceases to be globally programmable, but it remains programmable indirectly: network computations cannot be controlled, but they can be steered by local constraints on network nodes. The tasks of "programming" global behaviors through local constraints belong to the area of security. The "program particles" that assure that a system of local interactions leads towards some desired global goals are called security protocols. As computation spreads beyond cyberspace, into physical and social spaces, new security tasks and problems arise. As networks are extended by physical sensors and controllers, including the humans, and interlaced with social networks, the engineering concepts and techniques of computer security blend with the social processes of security. These new connectors for computational and social software require a new "discipline of programming" of global behaviors through local constraints. Since the n...

  19. Understanding Groundwater-Surface Water Interactions Using a Paired Tracer Approach in Alberta's Rocky Mountains

    Science.gov (United States)

    Spencer, S. A.; Silins, U.; Anderson, A.; Collins, A.; Williams, C.

    2015-12-01

    The eastern slopes of the Rocky Mountains produce the majority of Alberta's surface water supply. While land disturbance affects hydrologic processes governing runoff and water quality, groundwater-surface water interactions may be an important component of catchment resistance to hydrological change. The objectives of this study were to describe reach and sub-catchment coupling of groundwater and surface water processes and to characterize the role of groundwater contribution to surface discharge across spatial and temporal scales. This research is part of Phase II of the Southern Rockies Watershed Project investigating the hydrological effects of three forest harvest treatments (clear-cutting with retention, strip cutting, and partial-cutting) in the front-range Rocky Mountains in the Crowsnest Pass, Alberta. Six nested hydrometric stations in Star Creek (10.4 km2) were used to collect pre-disturbance stream discharge and water quality data (2009-2014). Instantaneous differential streamflow gauging was conducted on reaches ~700 m in length to define stream reaches that were gaining or losing water. Constant rate tracer injection was conducted on gaining reaches to further refine regions of groundwater inputs during high flows, the recession limb of the annual hydrograph, and summer baseflows. Despite being a snow-dominated catchment, groundwater is a major contributor to annual streamflow (60 - 70 %). In general, locations of gaining and losing reaches were consistent across spatial and temporal scales of investigation. A strong losing reach in one sub-basin was observed where underflow may be responsible for the loss of streamflow along this section of the stream. However, strong groundwater upwelling was also observed in a reach lower in the catchment likely due to a "pinch-point" in topographic relief. Spatial and temporal variations in groundwater-surface water interactions are likely important factors in hydrologic resistance to land disturbance.

  20. Tailoring Rydberg interactions via F\\"orster resonances: state combinations, hopping and angular dependence

    CERN Document Server

    Paris-Mandoki, Asaf; Tresp, Christoph; Mirgorodskiy, Ivan; Hofferberth, Sebastian

    2016-01-01

    F\\"orster resonances provide a highly flexible tool to tune both the strength and the angular shape of interactions between two Rydberg atoms. We give a detailed explanation about how F\\"orster resonances can be found by searching through a large range of possible quantum number combinations. We apply our search method to $SS$, $SD$ and $DD$ pair states of $^{87}$Rb with principal quantum numbers from 30 to 100, taking into account the fine structure splitting of the Rydberg states. We find various strong resonances between atoms with a large difference in principal quantum numbers. We quantify the strength of these resonances by introducing a figure of merit $\\tilde C_3$ which is independent of the magnetic quantum number and geometry to classify the resonances by interaction strength. We further predict to what extent interaction exchange is possible on different resonances and point out limitations of the coherent hopping process. Finally, we discuss the angular dependence of the dipole-dipole interaction ...

  1. Associated heavy quarks pair production with Higgs as a tool for a search for non-perturbative effects of the electroweak interaction at the LHC

    Science.gov (United States)

    Arbuzov, B. A.; Zaitsev, I. V.

    2017-09-01

    Assuming an existence of the anomalous triple electro-weak bosons interaction being defined by coupling constant λ we calculate its contribution to interactions of the Higgs with pairs of heavy particles. Bearing in mind experimental restrictions - 0.011 production with the Higgs. In calculations we rely on results of the non-perturbative approach to a spontaneous generation of effective interactions, which defines the form-factor of the three-boson anomalous interaction.

  2. Systematic study of real photon and Drell-Yan pair production in p+A (d+A) interactions

    Science.gov (United States)

    Krelina, M.; Basso, E.; Goncalves, V. P.; Nemchik, J.; Pasechnik, R.

    2016-07-01

    We study nuclear effects in production of Drell-Yan pairs and direct photons in proton-nucleus collisions. For the first time, these effects are studied within the color dipole approach using the Green function formalism which naturally incorporates the color transparency and quantum coherence effects. The corresponding numerical results for the nuclear modification factor are compared with available data. Besides, we present a variety of predictions for the nuclear suppression as a function of transverse momentum pT, Feynman variable xF and invariant mass M of the lepton pair which can be verified by experiments at RHIC and LHC. We found that the nuclear suppression is caused predominantly by effects of quantum coherence (shadowing corrections) and by the effective energy loss induced by multiple initial state interactions. Whereas the former dominate at small Bjorken x2 in the target, the latter turns out to be significant at large x1 in the projectile beam and is universal at different energies and transverse momenta.

  3. Nonlinear interaction of instability waves and vortex-pairing noise in axisymmetric subsonic jets

    Science.gov (United States)

    Yang, Hai-Hua; Zhou, Lin; Zhang, Xing-Chen; Wan, Zhen-Hua; Sun, De-Jun

    2016-10-01

    A direct simulation with selected inflow forcing is performed for an accurate description of the jet flow field and far-field noise. The effects of the Mach number and heating on the acoustic field are studied in detail. The beam patterns and acoustic intensities are both varied as the change of the Mach number and temperature. The decomposition of the source terms of the Lilley-Goldstein (L-G) equation shows that the momentum and thermodynamic components lead to distinctly different beam patterns. Significant cancellation is found between the momentum and thermodynamic components at low polar angles for the isothermal jet and large polar angles for the hot jet. The cancellation leads to the minimum values of the far-field sound. Based on linear parabolized stability equation solutions, the nonlinear interaction model for sound prediction is built in combination with the L-G equation. The dominant beam patterns and their original locations predicted by the nonlinear model are in good agreement with the direct simulation results, and the predictions of sound pressure level (SPL) by the nonlinear model are relatively reasonable.

  4. Study of Muon Pairs and Vector Mesons Produced in High Energy Pb-Pb Interactions

    CERN Multimedia

    Karavicheva, T; Atayan, M; Bordalo, P; Constans, N P; Gulkanyan, H; Kluberg, L

    2002-01-01

    %NA50 %title\\\\ \\\\The experiment studies dimuons produced in Pb-Pb and p-A collisions, at nucleon-nucleon c.m. energies of $ \\sqrt{s} $ = 18 and 30 GeV respectively. The setup accepts dimuons in a kinematical range roughly defined as $0.1$ $1 GeV/c$, and stands maximal luminosity (5~10$^{7}$~Pb ions and 10$^7$ interactions per burst). The physics includes signals which probe QGP (Quark-Gluon Plasma), namely the $\\phi$, J/$\\psi$ and $\\psi^\\prime$ vector mesons and thermal dimuons, and reference signals, namely the (unseparated) $\\rho$ and $\\omega$ mesons, and Drell-Yan dimuons. The experiment is a continuation, with improved means, of NA38, and expands its study of {\\it charmonium suppression} and {\\it strangeness enhancement}.\\\\ \\\\The muons are measured in the former NA10 spectrometer, which is shielded from the hot target region by a beam stopper and absorber wall. The muons traverse 5~m of BeO and C. The impact parameter is determined by a Zero Degree Calorimeter (Ta with silica fibres). Energy dissipation ...

  5. PIPE: a protein-protein interaction prediction engine based on the re-occurring short polypeptide sequences between known interacting protein pairs

    Directory of Open Access Journals (Sweden)

    Greenblatt Jack

    2006-07-01

    Full Text Available Abstract Background Identification of protein interaction networks has received considerable attention in the post-genomic era. The currently available biochemical approaches used to detect protein-protein interactions are all time and labour intensive. Consequently there is a growing need for the development of computational tools that are capable of effectively identifying such interactions. Results Here we explain the development and implementation of a novel Protein-Protein Interaction Prediction Engine termed PIPE. This tool is capable of predicting protein-protein interactions for any target pair of the yeast Saccharomyces cerevisiae proteins from their primary structure and without the need for any additional information or predictions about the proteins. PIPE showed a sensitivity of 61% for detecting any yeast protein interaction with 89% specificity and an overall accuracy of 75%. This rate of success is comparable to those associated with the most commonly used biochemical techniques. Using PIPE, we identified a novel interaction between YGL227W (vid30 and YMR135C (gid8 yeast proteins. This lead us to the identification of a novel yeast complex that here we term vid30 complex (vid30c. The observed interaction was confirmed by tandem affinity purification (TAP tag, verifying the ability of PIPE to predict novel protein-protein interactions. We then used PIPE analysis to investigate the internal architecture of vid30c. It appeared from PIPE analysis that vid30c may consist of a core and a secondary component. Generation of yeast gene deletion strains combined with TAP tagging analysis indicated that the deletion of a member of the core component interfered with the formation of vid30c, however, deletion of a member of the secondary component had little effect (if any on the formation of vid30c. Also, PIPE can be used to analyse yeast proteins for which TAP tagging fails, thereby allowing us to predict protein interactions that are not

  6. Differentially co-expressed interacting protein pairs discriminate samples under distinct stages of HIV type 1 infection.

    Science.gov (United States)

    Yoon, Dukyong; Kim, Hyosil; Suh-Kim, Haeyoung; Park, Rae Woong; Lee, KiYoung

    2011-01-01

    Microarray analyses based on differentially expressed genes (DEGs) have been widely used to distinguish samples across different cellular conditions. However, studies based on DEGs have not been able to clearly determine significant differences between samples of pathophysiologically similar HIV-1 stages, e.g., between acute and chronic progressive (or AIDS) or between uninfected and clinically latent stages. We here suggest a novel approach to allow such discrimination based on stage-specific genetic features of HIV-1 infection. Our approach is based on co-expression changes of genes known to interact. The method can identify a genetic signature for a single sample as contrasted with existing protein-protein-based analyses with correlational designs. Our approach distinguishes each sample using differentially co-expressed interacting protein pairs (DEPs) based on co-expression scores of individual interacting pairs within a sample. The co-expression score has positive value if two genes in a sample are simultaneously up-regulated or down-regulated. And the score has higher absolute value if expression-changing ratios are similar between the two genes. We compared characteristics of DEPs with that of DEGs by evaluating their usefulness in separation of HIV-1 stage. And we identified DEP-based network-modules and their gene-ontology enrichment to find out the HIV-1 stage-specific gene signature. Based on the DEP approach, we observed clear separation among samples from distinct HIV-1 stages using clustering and principal component analyses. Moreover, the discrimination power of DEPs on the samples (70-100% accuracy) was much higher than that of DEGs (35-45%) using several well-known classifiers. DEP-based network analysis also revealed the HIV-1 stage-specific network modules; the main biological processes were related to "translation," "RNA splicing," "mRNA, RNA, and nucleic acid transport," and "DNA metabolism." Through the HIV-1 stage-related modules, changing

  7. Amino acid behavior in aqueous amide solutions: Temperature dependence of the L-phenylalanine–N,N-dimethylformamide interaction

    Energy Technology Data Exchange (ETDEWEB)

    Kustov, Andrey V., E-mail: kustov@isuct.ru

    2013-08-20

    Highlights: • Thermodynamics of amino acid solvation in aqueous DMF solutions was studied at 288–318 K. • The pair interaction parameters were compared with those for urea solutions. • For hydrophobic solutes enthalpies and entropies of interaction reveal strong temperature changes. • The relationship between the temperature dependence of solvation and solute–solute interactions was found. - Abstract: We have studied thermodynamics of the L-phenylalanine (Phe) pair interaction with denaturing agents – urea (U) and dimethylformamide (DMF) at 288–318 K. Our study does indicate that enthalpies and entropies of the Phe–U interaction reveal the anomalous temperature dependence which does not occur for DMF solutions. The anomalous Phe behavior in U solutions appears to be closely related to peculiarities of U hydration. One more result is in the fact that for hydrophobic solutes such as L-phenylalanine and substituted amides it is not justified to use the results obtained at 298 K for predicting the solute behavior at physiological temperatures.

  8. Pairing correlations in exotic nuclei

    CERN Document Server

    Sagawa, H

    2012-01-01

    The BCS and HFB theories which can accommodate the pairing correlations in the ground states of atomic nuclei are presented. As an application of the pairing theories, we investigate the spatial extension of weakly bound Ne and C isotopes by taking into account the pairing correlation with the Hartree-Fock-Bogoliubov (HFB) method and a 3-body model, respectively. We show that the odd-even staggering in the reaction cross sections of $^{30,31,32}$Ne and $^{14,15,16}$C are successfully reproduced, and thus the staggering can be attributed to the unique role of pairing correlations in nuclei far from the stability line. A correlation between a one-neutron separation energy and the anti-halo effect is demonstrated for $s$- and p-waves using the HFB wave functions. We also propose effective density-dependent pairing interactions which reproduce both the neutron-neutron ($nn$) scattering length at zero density and the neutron pairing gap in uniform matter. Then, we apply these interactions to study pairing gaps in ...

  9. Excited states of DNA base pairs using long-range corrected time-dependent density functional theory.

    Science.gov (United States)

    Jensen, Lasse; Govind, Niranjan

    2009-09-10

    In this work, we present a study of the excitation energies of adenine, cytosine, guanine, thymine, and the adenine-thymine (AT) and guanine-cytosine (GC) base pairs using long-range corrected (LC) density functional theory. We compare three recent LC functionals, BNL, CAM-B3LYP, and LC-PBE0, with B3LYP and coupled cluster results from the literature. We find that the best overall performance is for the BNL functional based on LDA. However, in order to achieve this good agreement, a smaller attenuation parameter is needed, which leads to nonoptimum performance for ground-state properties. B3LYP, on the other hand, severely underestimates the charge-transfer (CT) transitions in the base pairs. Surprisingly, we also find that the CAM-B3LYP functional also underestimates the CT excitation energy for the GC base pair but correctly describes the AT base pair. This illustrates the importance of retaining the full long-range exact exchange even at distances as short as that of the DNA base pairs. The worst overall performance is obtained with the LC-PBE0 functional, which overestimates the excitations for the individual bases as well as the base pairs. It is therefore crucial to strike a good balance between the amount of local and long-range exact exchange. Thus, this work highlights the difficulties in obtained LC functionals, which provides a good description of both ground- and excited-state properties.

  10. Combining symmetry breaking and restoration with configuration interaction: A highly accurate many-body scheme applied to the pairing Hamiltonian

    Science.gov (United States)

    Ripoche, J.; Lacroix, D.; Gambacurta, D.; Ebran, J.-P.; Duguet, T.

    2017-01-01

    Background: Ab initio many-body methods have been developed over the past ten years to address mid-mass nuclei. In their best current level of implementation, their accuracy is of the order of a few percent error on the ground-state correlation energy. Recently implemented variants of these methods are operating a breakthrough in the description of medium-mass open-shell nuclei at a polynomial computational cost while putting state-of-the-art models of internucleon interactions to the test. Purpose: As progress in the design of internucleon interactions is made, and as questions one wishes to answer are refined in connection with increasingly available experimental data, further efforts must be made to tailor many-body methods that can reach an even higher precision for an even larger number of observable quantum states or nuclei. The objective of the present work is to contribute to such a quest by designing and testing a new many-body scheme. Methods: We formulate a truncated configuration-interaction method that consists of diagonalizing the Hamiltonian in a highly truncated subspace of the total N -body Hilbert space. The reduced Hilbert space is generated via the particle-number projected BCS state along with projected seniority-zero two- and four-quasiparticle excitations. Furthermore, the extent by which the underlying BCS state breaks U(1 ) symmetry is optimized in the presence of the projected two- and four-quasiparticle excitations. This constitutes an extension of the so-called restricted variation after projection method in use within the frame of multireference energy density functional calculations. The quality of the newly designed method is tested against exact solutions of the so-called attractive pairing Hamiltonian problem. Results: By construction, the method reproduces exact results for N =2 and N =4 . For N =(8 ,16 ,20 ) , the error in the ground-state correlation energy is less than (0.006%, 0.1%, 0.15%) across the entire range of

  11. Base pairing interaction between 5'- and 3'-UTRs controls icaR mRNA translation in Staphylococcus aureus.

    Directory of Open Access Journals (Sweden)

    Igor Ruiz de los Mozos

    Full Text Available The presence of regulatory sequences in the 3' untranslated region (3'-UTR of eukaryotic mRNAs controlling RNA stability and translation efficiency is widely recognized. In contrast, the relevance of 3'-UTRs in bacterial mRNA functionality has been disregarded. Here, we report evidences showing that around one-third of the mapped mRNAs of the major human pathogen Staphylococcus aureus carry 3'-UTRs longer than 100-nt and thus, potential regulatory functions. We selected the long 3'-UTR of icaR, which codes for the repressor of the main exopolysaccharidic compound of the S. aureus biofilm matrix, to evaluate the role that 3'-UTRs may play in controlling mRNA expression. We showed that base pairing between the 3'-UTR and the Shine-Dalgarno (SD region of icaR mRNA interferes with the translation initiation complex and generates a double-stranded substrate for RNase III. Deletion or substitution of the motif (UCCCCUG within icaR 3'-UTR was sufficient to abolish this interaction and resulted in the accumulation of IcaR repressor and inhibition of biofilm development. Our findings provide a singular example of a new potential post-transcriptional regulatory mechanism to modulate bacterial gene expression through the interaction of a 3'-UTR with the 5'-UTR of the same mRNA.

  12. Combining symmetry breaking and restoration with configuration interaction: a highly accurate many-body scheme applied to the pairing Hamiltonian

    CERN Document Server

    Ripoche, J; Gambacurta, D; Ebran, J -P; Duguet, T

    2016-01-01

    Background: Ab initio many-body methods have been developed over the past ten years to address mid-mass nuclei... As progress in the design of inter-nucleon interactions is made, further efforts must be made to tailor many-body methods. Methods: We formulate a truncated configuration interaction method that consists of diagonalizing the Hamiltonian in a highly truncated subspace of the total N-body Hilbert space. The reduced Hilbert space is generated via the particle-number projected BCS state along with projected seniority-zero two and four quasi-particle excitations. Furthermore, the extent by which the underlying BCS state breaks U(1) symmetry is optimized in presence of the projected two and four quasi-particle excitations... The quality of the newly designed method is tested against exact solutions of the so-called attractive pairing Hamiltonian problem. Results: By construction, the method reproduce exact results for N=2 and N=4. For N=(8,16,20) the error on the ground-state correlation energy is less ...

  13. Studies of Nucleon-Gold Collisions at 200 GeV per Nucleon Pair Using Tagged d+Au Interactions

    CERN Document Server

    Reed, Corey

    2010-01-01

    The spectra of charged hadrons produced near mid-rapidity in d+Au, p+Au and n+Au collisions at 200 GeV center of mass energy per nucleon pair are presented as a function of transverse momentum and centrality. These measurements were performed using the PHOBOS detector at the Relativistic Heavy Ion Collider (RHIC). Nucleon-nucleus interactions were extracted from the d+Au data by identifying the deuteron spectators. The deuteron spectators were measured using two calorimeters; one that detected forward-going single neutrons and a newly installed calorimeter that detected forward-going single protons. The large suppression of high-pT hadron production in central Au+Au interactions relative to a naive superposition of p+pbar collisions has been interpreted as evidence of partonic energy loss in a dense medium. This interpretation is founded upon the absence of such suppression in the yield of d+Au collisions. It is shown that d+Au is indeed a valid reference system, as hadron production in d+Au agrees with a sim...

  14. Base pairing interaction between 5'- and 3'-UTRs controls icaR mRNA translation in Staphylococcus aureus.

    Science.gov (United States)

    Ruiz de los Mozos, Igor; Vergara-Irigaray, Marta; Segura, Victor; Villanueva, Maite; Bitarte, Nerea; Saramago, Margarida; Domingues, Susana; Arraiano, Cecilia M; Fechter, Pierre; Romby, Pascale; Valle, Jaione; Solano, Cristina; Lasa, Iñigo; Toledo-Arana, Alejandro

    2013-01-01

    The presence of regulatory sequences in the 3' untranslated region (3'-UTR) of eukaryotic mRNAs controlling RNA stability and translation efficiency is widely recognized. In contrast, the relevance of 3'-UTRs in bacterial mRNA functionality has been disregarded. Here, we report evidences showing that around one-third of the mapped mRNAs of the major human pathogen Staphylococcus aureus carry 3'-UTRs longer than 100-nt and thus, potential regulatory functions. We selected the long 3'-UTR of icaR, which codes for the repressor of the main exopolysaccharidic compound of the S. aureus biofilm matrix, to evaluate the role that 3'-UTRs may play in controlling mRNA expression. We showed that base pairing between the 3'-UTR and the Shine-Dalgarno (SD) region of icaR mRNA interferes with the translation initiation complex and generates a double-stranded substrate for RNase III. Deletion or substitution of the motif (UCCCCUG) within icaR 3'-UTR was sufficient to abolish this interaction and resulted in the accumulation of IcaR repressor and inhibition of biofilm development. Our findings provide a singular example of a new potential post-transcriptional regulatory mechanism to modulate bacterial gene expression through the interaction of a 3'-UTR with the 5'-UTR of the same mRNA.

  15. HTP-1-dependent constraints coordinate homolog pairing and synapsis and promote chiasma formation during C. elegans meiosis.

    Science.gov (United States)

    Martinez-Perez, Enrique; Villeneuve, Anne M

    2005-11-15

    Synaptonemal complex (SC) assembly must occur between correctly paired homologous chromosomes to promote formation of chiasmata. Here, we identify the Caenorhabditis elegans HORMA-domain protein HTP-1 as a key player in coordinating establishment of homolog pairing and synapsis in C. elegans and provide evidence that checkpoint-like mechanisms couple these early meiotic prophase events. htp-1 mutants are defective in the establishment of pairing, but in contrast with the pairing-defective chk-2 mutant, SC assembly is not inhibited and generalized nonhomologous synapsis occurs. Extensive nonhomologous synapsis in htp-1; chk-2 double mutants indicates that HTP-1 is required for the inhibition of SC assembly observed in chk-2 gonads. htp-1 mutants show a decreased abundance of nuclei exhibiting a polarized organization that normally accompanies establishment of pairing; analysis of htp-1; syp-2 double mutants suggests that HTP-1 is needed to prevent premature exit from this polarized nuclear organization and that this exit stops homology search. Further, based on experiments monitoring the formation of recombination intermediates and crossover products, we suggest that htp-1 mutants are defective in preventing the use of sister chromatids as recombination partners. We propose a model in which HTP-1 functions to establish or maintain multiple constraints that operate to ensure coordination of events leading to chiasma formation.

  16. Analyse en d\\'ependances \\`a l'aide des grammaires d'interaction

    CERN Document Server

    Marchand, Jonathan; Perrier, Guy

    2009-01-01

    This article proposes a method to extract dependency structures from phrase-structure level parsing with Interaction Grammars. Interaction Grammars are a formalism which expresses interactions among words using a polarity system. Syntactical composition is led by the saturation of polarities. Interactions take place between constituents, but as grammars are lexicalized, these interactions can be translated at the level of words. Dependency relations are extracted from the parsing process: every dependency is the consequence of a polarity saturation. The dependency relations we obtain can be seen as a refinement of the usual dependency tree. Generally speaking, this work sheds new light on links between phrase structure and dependency parsing.

  17. Estimation of the temperature dependent interaction between uncharged point defects in Si

    Energy Technology Data Exchange (ETDEWEB)

    Kamiyama, Eiji [Department of Communication Engineering, Okayama Prefectural University, 111 Kuboki, Soja-shi, Okayama-ken 719-1197 (Japan); GlobalWafers Japan Co., Ltd., 30 Soya, Hadano, Kanagawa, 257-8566 (Japan); Vanhellemont, Jan [Department of Solid State Sciences, Ghent University, Krijgslaan 281-S1, Ghent B-9000 (Belgium); Sueoka, Koji [Department of Communication Engineering, Okayama Prefectural University, 111 Kuboki, Soja-shi, Okayama-ken 719-1197 (Japan)

    2015-01-15

    A method is described to estimate the temperature dependent interaction between two uncharged point defects in Si based on DFT calculations. As an illustration, the formation of the uncharged di-vacancy V{sub 2} is discussed, based on the temperature dependent attractive field between both vacancies. For that purpose, all irreducible configurations of two uncharged vacancies are determined, each with their weight given by the number of equivalent configurations. Using a standard 216-atoms supercell, nineteen irreducible configurations of two vacancies are obtained. The binding energies of all these configurations are calculated. Each vacancy is surrounded by several attractive sites for another vacancy. The obtained temperature dependent of total volume of these attractive sites has a radius that is closely related with the capture radius for the formation of a di-vacancy that is used in continuum theory. The presented methodology can in principle also be applied to estimate the capture radius for pair formation of any type of point defects.

  18. Universal properties of high-temperature superconductors from real-space pairing: Role of correlated hopping and intersite Coulomb interaction within the t -J -U model

    Science.gov (United States)

    Zegrodnik, Michał; Spałek, Józef

    2017-08-01

    We study the effect of the correlated hopping term and the intersite Coulomb interaction term on principal features of the d -wave superconducting (SC) state, in both the electron- and hole-doped regimes within the t -J -U model. In our analysis, we use the approach based on the diagrammatic expansion of the Gutzwiller wave function (DE-GWF), which allows us to go beyond the renormalized mean-field theory (RMFT). We show that the correlated hopping term enhances the pairing at the electron-doped side of the phase diagram. Moreover, the so-called non-BCS regime (which manifests itself by the negative kinetic energy gain at the transition to the SC phase) is narrowed down with the increasing magnitude of the correlated hopping ˜K . Also, the doping dependencies of the nodal Fermi velocity and Fermi momentum, as well as the average number of double occupancies, are analyzed with reference to the experimental data for selected values of the parameter K . For the sake of completeness, the influence of the intersite Coulomb repulsion on the obtained results is provided. Additionally, selected results concerning the Hubbard-model case are also presented. A complete model with all two-site interactions is briefly discussed in Appendix for reference.

  19. Interstrand side chain--side chain interactions in a designed beta-hairpin: significance of both lateral and diagonal pairings.

    Science.gov (United States)

    Syud, F A; Stanger, H E; Gellman, S H

    2001-09-12

    The contributions of interstrand side chain-side chain contacts to beta-sheet stability have been examined with an autonomously folding beta-hairpin model system. RYVEV(D)PGOKILQ-NH2 ((D)P = D-proline, O = ornithine) has previously been shown to adopt a beta-hairpin conformation in aqueous solution, with a two-residue loop at D-Pro-Gly. In the present study, side chains that display interstrand NOEs (Tyr-2, Lys-9, and Leu-11) are mutated to alanine or serine, and the conformational impact of the mutations is assessed. In the beta-hairpin conformation Tyr-2 and Leu-11 are directly across from one another (non-hydrogen bonded pair). This "lateral" juxtaposition of two hydrophobic side chains appears to contribute to beta-hairpin conformational stability, which is consistent with results from other beta-sheet model studies and with statistical analyses of interstrand residue contacts in protein crystal structures. Interaction between the side chains of Tyr-2 and Lys-9 also stabilizes the beta-hairpin conformation. Tyr-2/Lys-9 is a "diagonal" interstrand juxtaposition because these residues are not directly across from one another in terms of the hydrogen bonding registry between the strands. This diagonal interaction arises from the right-handed twist that is commonly observed among beta-sheets. Evidence of diagonal side chain-side chain contacts has been observed in other autonomously folding beta-sheet model systems, but we are not aware of other efforts to determine whether a diagonal interaction contributes to beta-sheet stability.

  20. Search for pair-production of strongly-interacting particles decaying to pairs of jets in $p\\bar{p}$ collisions at $\\sqrt{s}=1.96$ TeV

    CERN Document Server

    Aaltonen, T; Amerio, S; Amidei, D; Anastassov, A; Annovi, A; Antos, J; Apollinari, G; Appel, J A; Arisawa, T; Artikov, A; Asaadi, J; Ashmanskas, W; Auerbach, B; Aurisano, A; Azfar, F; Badgett, W; Bae, T; Barbaro-Galtieri, A; Barnes, V E; Barnett, B A; Barria, P; Bartos, P; Bauce, M; Bedeschi, F; Behari, S; Bellettini, G; Bellinger, J; Benjamin, D; Beretvas, A; Bhatti, A; Bland, K R; Blumenfeld, B; Bocci, A; Bodek, A; Bortoletto, D; Boudreau, J; Boveia, A; Brigliadori, L; Bromberg, C; Brucken, E; Budagov, J; Budd, H S; Burkett, K; Busetto, G; Bussey, P; Butti, P; Buzatu, A; Calamba, A; Camarda, S; Campanelli, M; Canelli, F; Carls, B; Carlsmith, D; Carosi, R; Carrillo, S; Casal, B; Casarsa, M; Castro, A; Catastini, P; Cauz, D; Cavaliere, V; Cavalli-Sforza, M; Cerri, A; Cerrito, L; Chen, Y C; Chertok, M; Chiarelli, G; Chlachidze, G; Chokheli, D; Cho, K; Ciocci, M A; Clark, A; Clarke, C; Convery, M E; Conway, J; Corbo, M; Cordelli, M; Cox, C A; Cox, D J; Cremonesi, M; Cruz, D; Cuevas, J; Culbertson, R; d'Ascenzo, N; Datta, M; de Barbaro, P; Demortier, L; Deninno, M; d'Errico, M; Devoto, F; Di Canto, A; Di Ruzza, B; Dittmann, J R; Donati, S; D'Onofrio, M; Dorigo, M; Driutti, A; Ebina, K; Edgar, R; Elagin, A; Erbacher, R; Errede, S; Esham, B; Eusebi, R; Farrington, S; Fernandez Ramos, J P; Field, R; Flanagan, G; Forrest, R; Franklin, M; Freeman, J C; Frisch, H; Funakoshi, Y; Garfinkel, A F; Garosi, P; Gerberich, H; Gerchtein, E; Giagu, S; Giakoumopoulou, V; Gibson, K; Ginsburg, C M; Giokaris, N; Giromini, P; Giurgiu, G; Glagolev, V; Glenzinski, D; Goldin, D; Gold, M; Golossanov, A; Gomez-Ceballos, G; Gomez, G; Goncharov, M; Gonzalez Lopez, O; Gorelov, I; Goshaw, A T; Goulianos, K; Gramellini, E; Grinstein, S; Grosso-Pilcher, C; Group, R C; Guimaraes da Costa, J; Hahn, S R; Han, J Y; Happacher, F; Hara, K; Hare, M; Harrington-Taber, T; Harr, R F; Hatakeyama, K; Hays, C; Heinrich, J; Herndon, M; Hocker, A; Hong, Z; Hopkins, W; Hou, S; Hughes, R E; Husemann, U; Hussein, M; Huston, J; Introzzi, G; Iori, M; Ivanov, A; James, E; Jang, D; Jayatilaka, B; Jeon, E J; Jindariani, S; Jones, M; Joo, K K; Junk, T R; Jun, S Y; Kambeitz, M; Kamon, T; Karchin, P E; Kasmi, A; Kato, Y; Ketchum, W; Keung, J; Kilminster, B; Kim, D H; Kim, H S; Kim, J E; Kim, M J; Kim, S B; Kim, S H; Kimura, N; Kim, Y J; Kim, Y K; Kirby, M; Knoepfel, K; Kondo, K; Kong, D J; Konigsberg, J; Kotwal, A V; Kreps, M; Kroll, J; Kruse, M; Kuhr, T; Kurata, M; Laasanen, A T; Lammel, S; Lancaster, M; Lannon, K; Latino, G; Lee, H S; Lee, J S; Leone, S; Leo, S; Lewis, J D; Limosani, A; Lipeles, E; Liu, H; Liu, Q; Liu, T; Lockwitz, S; Loginov, A; Lucchesi, D; Lueck, J; Lujan, P; Lukens, P; Lungu, G; Lysak, R; Lys, J; Madrak, R; Maestro, P; Malik, S; Manca, G; Manousakis-Katsikakis, A; Margaroli, F; Marino, P; Martinez, M; Matera, K; Mattson, M E; Mazzacane, A; Mazzanti, P; McNulty, R; Mehta, A; Mehtala, P; Mesropian, C; Miao, T; Mietlicki, D; Mitra, A; Miyake, H; Moed, S; Moggi, N; Moon, C S; Moore, R; Morello, M J; Mukherjee, A; Muller, Th; Murat, P; Mussini, M; Nachtman, J; Nagai, Y; Naganoma, J; Nakano, I; Napier, A; Nett, J; Neu, C; Nigmanov, T; Nodulman, L; Noh, S Y; Norniella, O; Oakes, L; Oh, S H; Oh, Y D; Oksuzian, I; Okusawa, T; Orava, R; Ortolan, L; Pagliarone, C; Palencia, E; Palni, P; Papadimitriou, V; Parker, W; Pauletta, G; Paulini, M; Paus, C; Phillips, T J; Piacentino, G; Pianori, E; Pilot, J; Pitts, K; Plager, C; Pondrom, L; Poprocki, S; Potamianos, K; Pranko, A; Prokoshin, F; Ptohos, F; Punzi, G; Ranjan, N; Redondo Fernandez, I; Renton, P; Rescigno, M; Riddick, T; Rimondi, F; Ristori, L; Robson, A; Rodriguez, T; Rolli, S; Ronzani, M; Roser, R; Rosner, J L; Ruffini, F; Ruiz, A; Russ, J; Rusu, V; Safonov, A; Sakumoto, W K; Sakurai, Y; Santi, L; Sato, K; Saveliev, V; Savoy-Navarro, A; Schlabach, P; Schmidt, E E; Schwarz, T; Scodellaro, L; Scuri, F; Seidel, S; Seiya, Y; Semenov, A; Sforza, F; Shalhout, S Z; Shears, T; Shepard, P F; Shimojima, M; Shochet, M; Shreyber-Tecker, I; Simonenko, A; Sinervo, P; Sliwa, K; Smith, J R; Snider, F D; Song, H; Sorin, V; Stancari, M; St. Denis, R; Stelzer, B; Stelzer-Chilton, O; Stentz, D; Strologas, J; Sudo, Y; Sukhanov, A; Suslov, I; Takemasa, K; Takeuchi, Y; Tang, J; Tecchio, M; Teng, P K; Thom, J; Thomson, E; Thukral, V; Toback, D; Tokar, S; Tollefson, K; Tomura, T; Tonelli, D; Torre, S; Torretta, D; Totaro, P; Trovato, M; Ukegawa, F; Uozumi, S; Vazquez, F; Velev, G; Vellidis, C; Vernieri, C; Vidal, M; Vilar, R; Vizan, J; Vogel, M; Volpi, G; Wagner, P; Wallny, R; Wang, S M; Warburton, A; Waters, D; Wester, W C, III; Whiteson, D; Wicklund, A B; Wilbur, S; Williams, H H; Wilson, J S; Wilson, P; Winer, B L; Wittich, P; Wolbers, S; Wolfe, H; Wright, T; Wu, X; Wu, Z; Yamamoto, K; Yamato, D; Yang, T; Yang, U K; Yang, Y C; Yao, W M; Yeh, G P; Yi, K; Yoh, J; Yorita, K; Yoshida, T; Yu, G B; Yu, I; Zanetti, A M; Zeng, Y; Zhou, C

    2013-01-01

    We present a search for the pair-production of a non-standard-model strongly-interacting particle that decays to a pair of quarks or gluons, leading to a final state with four hadronic jets. We consider both non-resonant production via an intermediate gluon as well as resonant production via a distinct non-standard-model intermediate strongly-interacting particle. We use data collected by the CDF experiment in proton-antiproton collisions at $\\sqrt{s}=1.96$ TeV corresponding to an integrated luminosity of 6.6 fb$^{-1}$. We find the data to be consistent with standard model predictions. We report limits on $\\sigma(p\\bar{p}\\rightarrow$ {\\it jjjj}$)$ as a function of the masses of the hypothetical intermediate particles. Upper limits on the production cross sections for non-standard-model particles in several resonant and non-resonant processes are also derived.

  1. Search for pair-production of strongly-interacting particles decaying to pairs of jets in $p\\bar{p}$ collisions at $\\sqrt{s}=1.96$ TeV

    CERN Document Server

    Aaltonen, T.; Amerio, S.; Amidei, D.; Anastassov, A.; Annovi, A.; Antos, J.; Apollinari, G.; Appel, J.A.; Arisawa, T.; Artikov, A.; Asaadi, J.; Ashmanskas, W.; Auerbach, B.; Aurisano, A.; Azfar, F.; Badgett, W.; Bae, T.; Barbaro-Galtieri, A.; Barnes, V.E.; Barnett, B.A.; Barria, P.; Bartos, P.; Bauce, M.; Bedeschi, F.; Behari, S.; Bellettini, G.; Bellinger, J.; Benjamin, D.; Beretvas, A.; Bhatti, A.; Bland, K.R.; Blumenfeld, B.; Bocci, A.; Bodek, A.; Bortoletto, D.; Boudreau, J.; Boveia, A.; Brigliadori, L.; Bromberg, C.; Brucken, E.; Budagov, J.; Budd, H.S.; Burkett, K.; Busetto, G.; Bussey, P.; Butti, P.; Buzatu, A.; Calamba, A.; Camarda, S.; Campanelli, M.; Canelli, F.; Carls, B.; Carlsmith, D.; Carosi, R.; Carrillo, S.; Casal, B.; Casarsa, M.; Castro, A.; Catastini, P.; Cauz, D.; Cavaliere, V.; Cavalli-Sforza, M.; Cerri, A.; Cerrito, L.; Chen, Y.C.; Chertok, M.; Chiarelli, G.; Chlachidze, G.; Cho, K.; Chokheli, D.; Ciocci, M.A.; Clark, A.; Clarke, C.; Convery, M.E.; Conway, J.; Corbo, M. .; Cordelli, M.; Cox, C.A.; Cox, D.J.; Cremonesi, M.; Cruz, D.; Cuevas, J.; Culbertson, R.; d'Ascenzo, N.; Datta, M.; de Barbaro, P.; Demortier, L.; Deninno, M.; Devoto, F.; d'Errico, M.; Di Canto, A.; Di Ruzza, B.; Dittmann, J.R.; D'Onofrio, M.; Donati, S.; Dorigo, M.; Driutti, A.; Ebina, K.; Edgar, R.; Elagin, A.; Erbacher, R.; Errede, S.; Esham, B.; Eusebi, R.; Farrington, S.; Fernandez Ramos, J.P.; Field, R.; Flanagan, G.; Forrest, R.; Franklin, M.; Freeman, J.C.; Frisch, H.; Funakoshi, Y.; Garfinkel, A.F.; Garosi, P.; Gerberich, H.; Gerchtein, E.; Giagu, S.; Giakoumopoulou, V.; Gibson, K.; Ginsburg, C.M.; Giokaris, N.; Giromini, P.; Giurgiu, G.; Glagolev, V.; Glenzinski, D.; Gold, M.; Goldin, D.; Golossanov, A.; Gomez, G.; Gomez-Ceballos, G.; Goncharov, M.; Gonzalez Lopez, O.; Gorelov, I.; Goshaw, A.T.; Goulianos, K.; Gramellini, E.; Grinstein, S.; Grosso-Pilcher, C.; Group, R.C.; Guimaraes da Costa, J.; Hahn, S.R.; Han, J.Y.; Happacher, F.; Hara, K.; Hare, M.; Harr, R.F.; Harrington-Taber, T.; Hatakeyama, K.; Hays, C.; Heinrich, J.; Herndon, M.; Hocker, A.; Hong, Z.; Hopkins, W.; Hou, S.; Hughes, R.E.; Husemann, U.; Hussein, M.; Huston, J.; Introzzi, G.; Iori, M.; Ivanov, A.; James, E.; Jang, D.; Jayatilaka, B.; Jeon, E.J.; Jindariani, S.; Jones, M.; Joo, K.K.; Jun, S.Y.; Junk, T.R.; Kambeitz, M.; Kamon, T.; Karchin, P.E.; Kasmi, A.; Kato, Y.; Ketchum, W.; Keung, J.; Kilminster, B.; Kim, D.H.; Kim, H.S.; Kim, J.E.; Kim, M.J.; Kim, S.B.; Kim, S.H.; Kim, Y.K.; Kim, Y.J.; Kimura, N.; Kirby, M.; Knoepfel, K.; Kondo, K.; Kong, D.J.; Konigsberg, J.; Kotwal, A.V.; Kreps, M.; Kroll, J.; Kruse, M.; Kuhr, T.; Kurata, M.; Laasanen, A.T.; Lammel, S.; Lancaster, M.; Lannon, K.; Latino, G.; Lee, H.S.; Lee, J.S.; Leo, S.; Leone, S.; Lewis, J.D.; Limosani, A.; Lipeles, E.; Liu, H.; Liu, Q.; Liu, T.; Lockwitz, S.; Loginov, A.; Lucchesi, D.; Lueck, J.; Lujan, P.; Lukens, P.; Lungu, G.; Lys, J.; Lysak, R.; Madrak, R.; Maestro, P.; Malik, S.; Manca, G.; Manousakis-Katsikakis, A.; Margaroli, F.; Marino, P.; Martinez, M.; Matera, K.; Mattson, M.E.; Mazzacane, A.; Mazzanti, P.; McNulty, R.; Mehta, A.; Mehtala, P.; Mesropian, C.; Miao, T.; Mietlicki, D.; Mitra, A.; Miyake, H.; Moed, S.; Moggi, N.; Moon, C.S.; Moore, R.; Morello, M.J.; Mukherjee, A.; Muller, Th.; Murat, P.; Mussini, M.; Nachtman, J.; Nagai, Y.; Naganoma, J.; Nakano, I.; Napier, A.; Nett, J.; Neu, C.; Nigmanov, T.; Nodulman, L.; Noh, S.Y.; Norniella, O.; Oakes, L.; Oh, S.H.; Oh, Y.D.; Oksuzian, I.; Okusawa, T.; Orava, R.; Ortolan, L.; Pagliarone, C.; Palencia, E.; Palni, P.; Papadimitriou, V.; Parker, W.; Pauletta, G.; Paulini, M.; Paus, C.; Phillips, T.J.; Piacentino, G.; Pianori, E.; Pilot, J.; Pitts, K.; Plager, C.; Pondrom, L.; Poprocki, S.; Potamianos, K.; Prokoshin, F.; Pranko, A.; Ptohos, F.; Punzi, G.; Ranjan, N.; Redondo Fernandez, I.; Renton, P.; Rescigno, M.; Riddick, T.; Rimondi, F.; Ristori, L.; Robson, A.; Rodriguez, T.; Rolli, S.; Ronzani, M.; Roser, R.; Rosner, J.L.; Ruffini, F.; Ruiz, A.; Russ, J.; Rusu, V.; Safonov, A.; Sakumoto, W.K.; Sakurai, Y.; Santi, L.; Sato, K.; Saveliev, V.; Savoy-Navarro, A.; Schlabach, P.; Schmidt, E.E.; Schwarz, T.; Scodellaro, L.; Scuri, F.; Seidel, S.; Seiya, Y.; Semenov, A.; Sforza, F.; Shalhout, S.Z.; Shears, T.; Shepard, P.F.; Shimojima, M.; Shochet, M.; Shreyber-Tecker, I.; Simonenko, A.; Sinervo, P.; Sliwa, K.; Smith, J.R.; Snider, F.D.; Sorin, V.; Song, H.; Stancari, M.; St. Denis, R.; Stelzer, B.; Stelzer-Chilton, O.; Stentz, D.; Strologas, J.; Sudo, Y.; Sukhanov, A.; Suslov, I.; Takemasa, K.; Takeuchi, Y.; Tang, J.; Tecchio, M.; Teng, P.K.; Thom, J.; Thomson, E.; Thukral, V.; Toback, D.; Tokar, S.; Tollefson, K.; Tomura, T.; Tonelli, D.; Torre, S.; Torretta, D.; Totaro, P.; Trovato, M.; Ukegawa, F.; Uozumi, S.; Vazquez, F.; Velev, G.; Vellidis, C.; Vernieri, C.; Vidal, M.; Vilar, R.; Vizan, J.; Vogel, M.; Volpi, G.; Wagner, P.; Wallny, R.; Wang, S.M.; Warburton, A.; Waters, D.; Wester, W.C., III; Whiteson, D.; Wicklund, A.B.; Wilbur, S.; Williams, H.H.; Wilson, J.S.; Wilson, P.; Winer, B.L.; Wittich, P.; Wolbers, S.; Wolfe, H.; Wright, T.; Wu, X.; Wu, Z.; Yamamoto, K.; Yamato, D.; Yang, T.; Yang, U.K.; Yang, Y.C.; Yao, W.M.; Yeh, G.P.; Yi, K.; Yoh, J.; Yorita, K.; Yoshida, T.; Yu, G.B.; Yu, I.; Zanetti, A.M.; Zeng, Y.; Zhou, C.; Zucchelli, S.

    2013-07-18

    We present a search for the pair-production of a non-standard-model strongly-interacting particle that decays to a pair of quarks or gluons, leading to a final state with four hadronic jets. We consider both non-resonant production via an intermediate gluon as well as resonant production via a distinct non-standard-model intermediate strongly-interacting particle. We use data collected by the CDF experiment in proton-antiproton collisions at $\\sqrt{s}=1.96$ TeV corresponding to an integrated luminosity of 6.6 fb$^{-1}$. We find the data to be consistent with standard model predictions. We report limits on $\\sigma(p\\bar{p}\\rightarrow$ {\\it jjjj}$)$ as a function of the masses of the hypothetical intermediate particles. Upper limits on the production cross sections for non-standard-model particles in several resonant and non-resonant processes are also derived.

  2. Derivation of Pitzer Interaction Parameters for an Aqueous Species Pair of Sodium and Iron(II)-Citrate Complex

    Science.gov (United States)

    Jang, J. H.; Nemer, M.

    2015-12-01

    The U.S. DOE Waste Isolation Pilot Plant (WIPP) is a deep underground repository for the permanent disposal of transuranic (TRU) radioactive waste. The WIPP is located in the Permian Delaware Basin near Carlsbad, New Mexico, U.S.A. The TRU waste includes, but is not limited to, iron-based alloys and the complexing agent, citric acid. Iron is also present from the steel used in the waste containers. The objective of this analysis is to derive the Pitzer activity coefficients for the pair of Na+ and FeCit- complex to expand current WIPP thermodynamic database. An aqueous model for the dissolution of Fe(OH)2(s) in a Na3Cit solution was fitted to the experimentally measured solubility data. The aqueous model consists of several chemical reactions and related Pitzer interaction parameters. Specifically, Pitzer interaction parameters for the Na+ and FeCit- pair (β(0), β(1), and Cφ) plus the stability constant for species of FeCit- were fitted to the experimental data. Anoxic gloveboxes were used to keep the oxygen level low (<1 ppm) throughout the experiments due to redox sensitivity. EQ3NR, a computer program for geochemical aqueous speciation-solubility calculations, packaged in EQ3/6 v.8.0a, calculates the aqueous speciation and saturation index using an aqueous model addressed in EQ3/6's database. The saturation index indicates how far the system is from equilibrium with respect to the solid of interest. Thus, the smaller the sum of squared saturation indices that the aqueous model calculates for the given number of experiments, the more closely the model attributes equilibrium to each individual experiment with respect to the solid of interest. The calculation of aqueous speciation and saturation indices was repeated by adjusting stability constant of FeCit-, β(0), β(1), and Cφ in the database until the values are found that make the sum of squared saturation indices the smallest for the given number of experiments. Results will be presented at the time of

  3. Electrostatics Explains the Position-Dependent Effect of G⋅U Wobble Base Pairs on the Affinity of RNA Kissing Complexes.

    Science.gov (United States)

    Abi-Ghanem, Josephine; Rabin, Clémence; Porrini, Massimiliano; Dausse, Eric; Toulmé, Jean-Jacques; Gabelica, Valérie

    2017-07-31

    In the RNA realm, non-Watson-Crick base pairs are abundant and can affect both the RNA 3D structure and its function. Here, we investigated the formation of RNA kissing complexes in which the loop-loop interaction is modulated by non-Watson-Crick pairs. Mass spectrometry, surface plasmon resonance, and UV-melting experiments show that the G⋅U wobble base pair favors kissing complex formation only when placed at specific positions. We tried to rationalize this effect by molecular modeling, including molecular mechanics Poisson-Boltzmann surface area (MMPBSA) thermodynamics calculations and PBSA calculations of the electrostatic potential surfaces. Modeling reveals that the G⋅U stabilization is due to a specific electrostatic environment defined by the base pairs of the entire loop-loop region. The loop is not symmetric, and therefore the identity and position of each base pair matters. Predicting and visualizing the electrostatic environment created by a given sequence can help to design specific kissing complexes with high affinity, for potential therapeutic, nanotechnology or analytical applications. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Isovector spin-singlet (T = 1, S = 0) and isoscalar spin-triplet (T = 0, S = 1) pairing interactions and spin-isospin response

    Science.gov (United States)

    Sagawa, H.; Bai, C. L.; Colò, G.

    2016-08-01

    We review several experimental and theoretical advances that emphasize common aspects of the study of spin-singlet, T = 1, and spin-triplet, T = 0, pairing correlations in nuclei. We first discuss various empirical evidence of the special role played by the T = 1 pairing interaction. In particular, we show the peculiar features of the nuclear pairing interaction in the low-density regime, and possible outcomes such as the BCS-BEC crossover in nuclear matter and, in an analogous way, in loosely bound nuclei. We then move to the competition between T = 1 and T = 0 pairing correlations. The effect of such competition on the low-lying spectra is studied in N = Z odd-odd nuclei by using a three-body model; in this case, it is shown that the inversion of the {J}π ={0}+ and {J}π ={1}+ states near the ground state, and the strong magnetic dipole transitions between them, can be considered as a clear manifestation of strong T = 0 pairing correlations in these nuclei. The effect of T = 0 pairing correlations is also quite evident if one studies charge-changing transitions. The Gamow-Teller (GT) states in N=Z+2 nuclei are studied here by using self-consistent Hartree-Fock-Bogoliubov (HFB) plus quasiparticle random-phase approximation calculations in which the T = 0 pairing interaction is taken into account. Strong GT states are found, near the ground state of daughter nuclei; these are compared with available experimental data from charge-exchange reactions, and such comparison can pinpoint the value of the strength of the T = 0 interaction. Pair transfer reactions are eventually discussed. While two-neutron transfer has long been proposed as a tool to measure the T = 1 superfluidity in the nuclear ground states, the study of deuteron transfer is still in its infancy, despite its potential interest for revealing effects coming from both T = 1 and T = 0 interactions. We also point out that the reaction mechanism may mask the strong pair transfer amplitudes predicted by the

  5. Nonbonded interactions in membrane active cyclic biopolymers. IV - Cation dependence

    Science.gov (United States)

    Radhakrishnan, R.; Srinivasan, S.; Prasad, C. V.; Brinda, S. R.; Macelroy, R. D.; Sundaram, K.

    1980-01-01

    Interactions of valinomycin and form of its analogs in several conformations with the central ions Li(+), Na(+), K(+), Rb(+) and Cs(+) are investigated as part of a study of the specific preference of valinomycin for potassium and the mechanisms of carrier-mediated ion transport across membranes. Ion binding energies and conformational potential energies are calculated taking into account polarization energy formulas and repulsive energy between the central ion and the ligand atoms for conformations representing various stages in ion capture and release for each of the two ring chiralities of valinomycin and its analogs. Results allow the prediction of the chirality and conformation most likely to be observed for a given analog, and may be used to synthesize analogs with a desired rigidity or flexibility. The binding energies with the alkali metal cations are found to decrease with increasing ion size, and to be smaller than the corresponding ion hydration energies. It is pointed out that the observed potassium preference may be explainable in terms of differences between binding and hydration energies. Binding energies are also noted to depend on ligand conformation.

  6. Location-dependent excitatory synaptic interactions in pyramidal neuron dendrites.

    Directory of Open Access Journals (Sweden)

    Bardia F Behabadi

    Full Text Available Neocortical pyramidal neurons (PNs receive thousands of excitatory synaptic contacts on their basal dendrites. Some act as classical driver inputs while others are thought to modulate PN responses based on sensory or behavioral context, but the biophysical mechanisms that mediate classical-contextual interactions in these dendrites remain poorly understood. We hypothesized that if two excitatory pathways bias their synaptic projections towards proximal vs. distal ends of the basal branches, the very different local spike thresholds and attenuation factors for inputs near and far from the soma might provide the basis for a classical-contextual functional asymmetry. Supporting this possibility, we found both in compartmental models and electrophysiological recordings in brain slices that the responses of basal dendrites to spatially separated inputs are indeed strongly asymmetric. Distal excitation lowers the local spike threshold for more proximal inputs, while having little effect on peak responses at the soma. In contrast, proximal excitation lowers the threshold, but also substantially increases the gain of distally-driven responses. Our findings support the view that PN basal dendrites possess significant analog computing capabilities, and suggest that the diverse forms of nonlinear response modulation seen in the neocortex, including uni-modal, cross-modal, and attentional effects, could depend in part on pathway-specific biases in the spatial distribution of excitatory synaptic contacts onto PN basal dendritic arbors.

  7. Peculiarities of hearing impairment depending on interaction with acoustic stimuli

    Science.gov (United States)

    Myshchenko, Iryna; Nazarenko, Vasyl; Kolganov, Anatoliy; Tereshchenko, Pavlo

    2015-01-01

    Aims: The functional state of the auditory analyzer of several operators groups was study. The objective of this study was to determine some characteristics of hearing impairment in relation with features of acoustic stimuli and informative significance of noise. Materials and Methods: 236 employees (middle age 35.4 ± 0.74 years) were divided into four groups according to features of noise perception at the workplaces. The levels of permanent shifts of acoustic thresholds were estimated using audiometric method. Statistical Analysis Used: Common statistical methods were used in research. Mean quantity and mean absolute errors were calculated. Statistical significance between operators' groups was calculated with 0.05 confidential intervals. Results: The peculiarities of hearing impairment in observed groups were different. Operators differentiating acoustic signals had peak of hearing impairment in the field of language frequencies, while the employees who work with noise background at the workplaces had maximal hearing threshold on the 4000 Hz frequency (P ≤ 0.05). Conclusions: Hearing impairment depends both on energy and human interaction with acoustic irritant. The distinctions in hearing impairment may be related with the necessity of recognizing of acoustic signals and their frequency characteristics. PMID:26957812

  8. The effect of temperature, interaction range, and pair potential on the formation of dodecagonal quasicrystals in core-corona systems

    Science.gov (United States)

    Pattabhiraman, Harini; Dijkstra, Marjolein

    2017-03-01

    A two-dimensional dodecagonal quasicrystal was previously reported by Dotera et al (2014 Nature 506 208) in a system of particles interacting with a hard core of diameter σ and a repulsive square shoulder of diameter δ =1.40σ . In the current work, we examine the formation of this quasicrystal using bond orientational order parameters, correlation functions and tiling distributions. We find that this dodecagonal quasicrystal forms from a fluid phase. We further study the effect of the width of the repulsive shoulder by simulating the system over a range of values of δ. For the range of densities and temperatures considered, we observe the formation of the dodecagonal quasicrystal between δ =1.30σ and 1.44σ . We also study the effect of shape of the interaction potential by simulating the system using three other interaction potentials with two length scales, namely hard-core plus a linear ramp, modified exponential, or Buckingham (exp-6) potential. We observe the presence of the quasicrystal in all three systems. However, depending on the shape of the potential, the formation of the quasicrystal takes place at lower temperatures (or higher interaction strengths). Using free-energy calculations, we demonstrate that the quasicrystal is thermodynamically stable in the square-shoulder and linear-ramp system.

  9. Isovector spin-singlet (T=1, S=0) and isoscalar spin-triplet (T=0, S=1) pairing interactions and spin-isospin response

    CERN Document Server

    Sagawa, H; Colo', G

    2015-01-01

    We review several experimental and theoretical advances that emphasise common aspects of the study of T=1 and T=0 pairing correlations in nuclei. We first discuss several empirical evidences of the special role played by the T=1 pairing interaction. In particular, we show the peculiar features of the nuclear pairing interaction in the low density regime, and possible outcomes such as the BCS-BEC crossover in nuclear matter and, in an analogous way, in loosely bound nuclei. We then move to the competition between T=1 and T=0 pairing correlations. The effect of such competition on the low-lying spectra is studied in N=Z odd-odd nuclei by using a three-body model; it is shown that the inversion of the 0+ and 1+ states near the ground state, and the strong magnetic dipole transitions between them, can be considered as a clear manifestation of strong T=0 pairing correlations in these nuclei. The effect of T=0 pairing correlations is also quite evident if one studies charge-changing transitions. The Gamow-Teller (G...

  10. Investigation of the interaction dynamics of a pair of laser-induced bubbles generated at the same time through double-exposure strobe method and numerical simulations

    Science.gov (United States)

    Han, Bing; Liu, Liu; Ni, Xiao-Wu

    2017-08-01

    In order to understand the interaction dynamics of a pair of laser-induced bubbles, a double-exposure strobe photography experimental setup is build up to study the temporal evolution of the bubble pairs and to measure the transient bubble-interface moving speed. The interaction mechanisms of the bubble pairs are discussed together with the numerical results obtained through OpenFOAM. It is shown that the direction and the velocity of the jetting could be controlled by the relative size and the relative initiation distance of the bubble pair, when the bubbles are generated at the same time, i.e., in-phase. The liquid jet is considered to be a penetrating jet. The jet is originated from the smaller bubble and clearly protruding outside of the bigger bubble. The parameter space of the relative size and the initiation distance of the bubble pair allowing the formation of the penetrating jet are very narrow. It is concluded that the liquid jet induced by the bubble interactions resulted from the collapse and the rebound of the smaller bubble nearby the bigger bubble. This is defined as the "catapult effect." Such a directional liquid transportation is a promising tool as a micro-injector or a micro-pump. The investigation results could be also supplementary to the understandings of the bubble dynamics.

  11. Multiple Pairwise Analysis of Non-homologous Centromere Coupling Reveals Preferential Chromosome Size-Dependent Interactions and a Role for Bouquet Formation in Establishing the Interaction Pattern.

    Science.gov (United States)

    Lefrançois, Philippe; Rockmill, Beth; Xie, Pingxing; Roeder, G Shirleen; Snyder, Michael

    2016-10-01

    During meiosis, chromosomes undergo a homology search in order to locate their homolog to form stable pairs and exchange genetic material. Early in prophase, chromosomes associate in mostly non-homologous pairs, tethered only at their centromeres. This phenomenon, conserved through higher eukaryotes, is termed centromere coupling in budding yeast. Both initiation of recombination and the presence of homologs are dispensable for centromere coupling (occurring in spo11 mutants and haploids induced to undergo meiosis) but the presence of the synaptonemal complex (SC) protein Zip1 is required. The nature and mechanism of coupling have yet to be elucidated. Here we present the first pairwise analysis of centromere coupling in an effort to uncover underlying rules that may exist within these non-homologous interactions. We designed a novel chromosome conformation capture (3C)-based assay to detect all possible interactions between non-homologous yeast centromeres during early meiosis. Using this variant of 3C-qPCR, we found a size-dependent interaction pattern, in which chromosomes assort preferentially with chromosomes of similar sizes, in haploid and diploid spo11 cells, but not in a coupling-defective mutant (spo11 zip1 haploid and diploid yeast). This pattern is also observed in wild-type diploids early in meiosis but disappears as meiosis progresses and homologous chromosomes pair. We found no evidence to support the notion that ancestral centromere homology plays a role in pattern establishment in S. cerevisiae post-genome duplication. Moreover, we found a role for the meiotic bouquet in establishing the size dependence of centromere coupling, as abolishing bouquet (using the bouquet-defective spo11 ndj1 mutant) reduces it. Coupling in spo11 ndj1 rather follows telomere clustering preferences. We propose that a chromosome size preference for centromere coupling helps establish efficient homolog recognition.

  12. Weak interaction corrections to hadronic top quark pair production; Korrekturen der schwachen Wechselwirkung zur hadronischen Topquark-Paarproduktion

    Energy Technology Data Exchange (ETDEWEB)

    Fuecker, M.

    2007-05-15

    This thesis presents the calculation of the Standard Model weak-interaction corrections of order {alpha}{sub s}{sup 2}{alpha} to hadronic top-quark pair production. The one-loop weak corrections to top antitop production due to gluon fusion and uark antiquark annihilation are computed. Also the order {alpha}{sub s}{sup 2}{alpha} corrections to top antitop production due to quark gluon and antiquark gluon scattering in the Standard Model are calculated. In this complete weak-corrections of order {alpha}{sub s}{sup 2}{alpha} to gg, q anti q, gq, and g anti q induced hadronic t anti t production the top and antitop polarizations and spin-correlations are fully taken into account. For the Tevatron and the LHC the weak contributions to the cross section, to the transverse top-momentum (p{sub T}) distributions, and to the top antitop invariant mass (M{sub t} {sub anti} {sub t}) distributions are analyzed. At the LHC the corrections to the distributions can be of the order of -10 percent compared with the leading-order results, for p{sub T}>1500 GeV and M{sub t} {sub anti} {sub t}>3000 GeV, respectively. At the Tevatron the corrections are -4 percent for p{sub T}>600 GeV and M{sub t} {sub anti} {sub t}>1000 GeV. This thesis also considers parity-even top antitop spin correlations of the form d{sigma}(++)+d{sigma}(--)-d{sigma}(+-)-d{sigma}(-+), where the first and second argument denotes the top and antitop spin projection onto a given reference axis. This spin asymmetries are computed as a function of M{sub t} {sub anti} {sub t}. At the LHC the weak corrections are of order of -10 percent for M{sub t} {sub anti} {sub t}>1000 GeV for all analyzed reference axes. At the Tevatron the corrections are in the range of 5 percent at threshold and -5 percent for M{sub t} {sub anti} {sub t}>1000 GeV. Apart from parity-even spin asymmetries also the Standard Model predictions for parity violating effects in topquark pair production are calculated. This thesis analyzes parity

  13. A trapped ion with time-dependent frequency interaction with a laser field

    Energy Technology Data Exchange (ETDEWEB)

    MartInez, J M Vargas; Moya-Cessa, H [INAOE, Apartado Postal 51 y 216, 72000 Puebla (Mexico)

    2004-06-01

    We analyse the problem of a trapped ion with time-dependent frequency interacting with a laser field. By using a set of unitary time-dependent transformations we show that this system is equivalent to the interaction between a quantized field and a double level with time-dependent interaction parameters. In passing, we show that in the on-resonance case different vibrational transitions may be achieved by using time-dependent parameters.

  14. Implementation of Pair Work and Group Work for Creation of Interaction Opportunities for Learners in Large Classes: The Viability of the Two Strategies

    Science.gov (United States)

    Otienoh, Ruth O.

    2015-01-01

    This paper is based on an action research carried out in two Kenyan Primary schools in Nairobi. The purpose was to implement group work and pair work to improve teaching and learning in large classes by creating interaction opportunities for learners. This was a mixed method study of dominant/less dominant design where interviews and structured…

  15. Filled and empty states of carbon nanotubes in water: Dependence on nanotube diameter, wall thickness and dispersion interactions

    Indian Academy of Sciences (India)

    Malay Rana; Amalendu Chandra

    2007-09-01

    We have carried out a series of molecular dynamics simulations of water containing a narrow carbon nanotube as a solute to investigate the filling and emptying of the nanotube and also the modifications of the density and hydrogen bond distributions of water inside and also in the vicinity of the outer surfaces of the nanotube. Our primary goal is to look at the effects of varying nanotube diameter, wall thickness and also solute-solvent interactions on the solvent structure in the confined region also near the outer surfaces of the solute. The thickness of the walls is varied by considering single and multi-walled nanotubes and the interaction potential is varied by tuning the attractive strength of the 12-6 pair interaction potential between a carbon atom of the nanotubes and a water molecule. The calculations are done for many different values of the tuning parameter ranging from fully Lennard-Jones to pure repulsive pair interactions. It is found that both the solvation characteristics and hydrogen bond distributions can depend rather strongly on the strength of the attractive part of the solute-water interaction potential. The thickness of the nanotube wall, however, is found to have only minor effects on the density profiles, hydrogen bond network and the wetting characteristics. This indicates that the long range electrostatic interactions between water molecules inside and on the outer side of the nanotube do not make any significant contribution to the overall solvation structure of these hydrophobic solutes. The solvation characteristics are primarily determined by the balance between the loss of energy due to hydrogen bond network disruption, cavity repulsion potential and offset of the same by attractive component of the solute-water interactions. Our studies with different system sizes show that the essential features of wetting and dewetting characteristics of narrow nanotubes for different diameter and interaction potentials are also present in

  16. Effects of adiabatic, relativistic, and quantum electrodynamics interactions on the pair potential and thermophysical properties of helium.

    Science.gov (United States)

    Cencek, Wojciech; Przybytek, Michał; Komasa, Jacek; Mehl, James B; Jeziorski, Bogumił; Szalewicz, Krzysztof

    2012-06-14

    The adiabatic, relativistic, and quantum electrodynamics (QED) contributions to the pair potential of helium were computed, fitted separately, and applied, together with the nonrelativistic Born-Oppenheimer (BO) potential, in calculations of thermophysical properties of helium and of the properties of the helium dimer. An analysis of the convergence patterns of the calculations with increasing basis set sizes allowed us to estimate the uncertainties of the total interaction energy to be below 50 ppm for interatomic separations R smaller than 4 bohrs and for the distance R = 5.6 bohrs. For other separations, the relative uncertainties are up to an order of magnitude larger (and obviously still larger near R = 4.8 bohrs where the potential crosses zero) and are dominated by the uncertainties of the nonrelativistic BO component. These estimates also include the contributions from the neglected relativistic and QED terms proportional to the fourth and higher powers of the fine-structure constant α. To obtain such high accuracy, it was necessary to employ explicitly correlated Gaussian expansions containing up to 2400 terms for smaller R (all R in the case of a QED component) and optimized orbital bases up to the cardinal number X = 7 for larger R. Near-exact asymptotic constants were used to describe the large-R behavior of all components. The fitted potential, exhibiting the minimum of -10.996 ± 0.004 K at R = 5.608 0 ± 0.000 1 bohr, was used to determine properties of the very weakly bound (4)He(2) dimer and thermophysical properties of gaseous helium. It is shown that the Casimir-Polder retardation effect, increasing the dimer size by about 2 Å relative to the nonrelativistic BO value, is almost completely accounted for by the inclusion of the Breit-interaction and the Araki-Sucher contributions to the potential, of the order α(2) and α(3), respectively. The remaining retardation effect, of the order of α(4) and higher, is practically negligible for the bound

  17. Semiclassical pair production rate for time-dependent electrical fields with more than one component: WKB-approach and world-line instantons

    Energy Technology Data Exchange (ETDEWEB)

    Strobel, Eckhard, E-mail: eckhard.strobel@irap-phd.eu [ICRANet, Piazzale della Repubblica 10, 65122 Pescara (Italy); Dipartimento di Fisica, Università di Roma “La Sapienza”, Piazzale Aldo Moro 5, 00185 Rome (Italy); Université de Nice Sophia Antipolis, 28 Avenue de Valrose, 06103 Nice Cedex 2 (France); Xue, She-Sheng, E-mail: xue@icra.it [ICRANet, Piazzale della Repubblica 10, 65122 Pescara (Italy); Dipartimento di Fisica, Università di Roma “La Sapienza”, Piazzale Aldo Moro 5, 00185 Rome (Italy)

    2014-09-15

    We present an analytic calculation of the semiclassical electron–positron pair creation rate by time-dependent electrical fields. We use two methods, first the imaginary time method in the WKB-approximation and second the world-line instanton approach. The analytic tools for both methods are generalized to time-dependent electric fields with more than one component. For the WKB method an expansion of the momentum spectrum of produced pairs around the canonical momentum P{sup →}=0 is presented which simplifies the computation of the pair creation rate. We argue that the world-line instanton method of [1] implicitly performs this expansion of the momentum spectrum around P{sup →}=0. Accordingly, the generalization to more than one component is shown to agree with the WKB result obtained via this expansion. However the expansion is only a good approximation for the cases where the momentum spectrum is peaked around P{sup →}=0. Thus the expanded WKB result and the world-line instanton method of [1] as well as the generalized method presented here are only applicable in these cases. We study the two-component case of a rotating electric field and find a new analytic closed form for the momentum spectrum using the generalized WKB method. The momentum spectrum for this field is not peaked around P{sup →}=0.

  18. Paired burst stimulation causes GABAA receptor-dependent spike firing facilitation in CA1 of rat hippocampal slices

    Directory of Open Access Journals (Sweden)

    Takashi eTominaga

    2016-01-01

    Full Text Available The theta oscillation (4–8 Hz is a pivotal form of oscillatory activity in the hippocampus that is intermittently concurrent with gamma (25–100 Hz burst events. In in vitro preparation, a stimulation protocol that mimics the theta oscillation, theta burst stimulation (TBS, is used to induce long-term potentiation. Thus, TBS is thought to have a distinct role in the neural network of the hippocampal slice preparation. However, the mechanisms that make TBS uniquely induce such neural circuit modifications are still unknown. Using electrophysiology and voltage-sensitive dye imaging (VSDI, we have found that TBS induces augmentation of spike firing. The augmentation was apparent in the first couple of brief burst stimulation (100Hz four pulses on a TBS-train in a presence of NMDA receptor blocker (APV 50 µM. In this study, we focused on the characterises of the NMDA independent augmentation caused by a pair of the brief burst stimulation (the first pair of the TBS; PBS. We found that PBS enhanced membrane potential responses on VSDI signal and intracellular recordings while it was absent in the current recording under whole-cell clamp condition. The enhancement of the response accompanied the augmentation of excitatory postsynaptic potential (EPSP to spike firing (E-S coupling. The paired burst facilitation (PBF reached a plateau when the number of the first burst stimulation (priming burst exceeds three. The interval between the bursts of 150 ms resulted in the maximum PBF. Gabazine (a GABAA receptor antagonist abolished PBF. The threshold for spike generation of the postsynaptic cells measured with a current injection to cells was not lowered by the priming burst of PBS. These results indicate that PBS activates the GABAergic system to cause short-term E-S augmentation without raising postsynaptic excitability. We propose that a GABAergic system of area CA1 of the hippocampus produce the short-term E-S plasticity that could cause exaggerated

  19. On e(+)e(-) pair production by colliding electromagnetic pulses

    NARCIS (Netherlands)

    Narozhny, NB; Bulanov, SS; Mur, VD; Popov, VS

    2004-01-01

    Electron-positron pair production from vacuum in an electromagnetic field created by two counterpropagating focused laser pulses interacting with each other is analyzed. The dependence of the number of produced pairs on the intensity of a laser pulse and the focusing parameter is studied with a real

  20. Spin polarization transfer by the radical pair mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Zarea, Mehdi, E-mail: m-zarea@northwestern.edu; Ratner, Mark A.; Wasielewski, Michael R. [Department of Chemistry and Argonne-Northwestern Solar Energy Research (ANSER) Center, Northwestern University, Evanston, Illinois 60208-3113 (United States)

    2015-08-07

    In a three-site representation, we study a spin polarization transfer from radical pair spins to a nearby electron or nuclear spin. The quantum dynamics of the radical pair spins is governed by a constant exchange interaction between the radical pair spins which have different Zeeman frequencies. Radical pair spins can recombine to the singlet ground state or to lower energy triplet states. It is then shown that the coherent dynamics of the radical pair induces spin polarization on the nearby third spin in the presence of a magnetic field. The spin polarization transfer depends on the difference between Zeeman frequencies, the singlet and triplet recombination rates, and on the exchange and dipole-dipole interactions between the different spins. In particular, the sign of the polarization depends on the exchange coupling between radical pair spins and also on the difference between singlet and triplet recombination rate constants.

  1. Search for pair-produced leptoquarks in $e^{+}e^{-}$ interactions at $\\sqrt{s}\\simeq$ 189 -209 GeV

    CERN Document Server

    Abbiendi, G; Åkesson, P F; Alexander, G; Allison, J; Amaral, P; Anagnostou, G; Anderson, K J; Arcelli, S; Asai, S; Axen, D A; Azuelos, Georges; Bailey, I; Barberio, E; Barlow, R J; Batley, J Richard; Bechtle, P; Behnke, T; Bell, K W; Bell, P J; Bella, G; Bellerive, A; Benelli, G; Bethke, Siegfried; Biebel, O; Bock, P; Boeriu, O; Boutemeur, M; Braibant, S; Brigliadori, L; Brown, R M; Burckhart, H J; Büsser, K; Campana, S; Carnegie, R K; Caron, B; Carter, A A; Carter, J R; Chang, C Y; Charlton, D G; Csilling, Akos; Cuffiani, M; Dado, S; de Roeck, A; De Wolf, E A; Desch, Klaus; Dienes, B; Donkers, M; Dubbert, J; Duchovni, E; Duckeck, G; Duerdoth, I P; Etzion, E; Fabbri, Franco Luigi; Feld, L; Ferrari, P; Fiedler, F; Fleck, I; Ford, M; Frey, A; Fürtjes, A; Gagnon, P; Gary, J W; Gaycken, G; Geich-Gimbel, C; Giacomelli, G; Giacomelli, P; Giunta, M; Goldberg, J; Gross, E; Grunhaus, Jacob; Gruwé, M; Günther, P O; Hajdu, C; Hamann, M; Hanson, G G; Harder, K; Harel, A; Harin-Dirac, M; Hauschild, M; Hawkes, C M; Hawkings, R; Hemingway, Richard J; Hensel, C; Herten, G; Heuer, R D; Hill, J C; Hoffman, K; Horváth, D; Igo-Kemenes, P; Ishii, K; Jeremie, H; Jovanovic, P; Junk, T R; Kanaya, N; Kanzaki, J; Karapetian, G V; Karlen, Dean A; Kawagoe, K; Kawamoto, T; Keeler, Richard K; Kellogg, R G; Kennedy, B W; Kim, D H; Klein, K; Klier, A; Kluth, S; Kobayashi, T; Kobel, M; Komamiya, S; Kormos, L L; Krämer, T; Krieger, P; Von Krogh, J; Krüger, K; Kupper, M; Kühl, T; Lafferty, G D; Landsman, Hagar Yaël; Lanske, D; Layter, J G; Leins, A; Lellouch, D; Letts, J; Levinson, L; Lillich, J; Lloyd, S L; Loebinger, F K; Lü, J; Ludwig, J; MacPherson, A; Mader, W; Marcellini, S; Martin, A J; Masetti, G; Mashimo, T; McDonald, W J; McKenna, J A; McMahon, T J; McPherson, R A; Meijers, F; Menges, W; Merritt, F S; Mes, H; Michelini, Aldo; Mihara, S; Mikenberg, G; Miller, D J; Moed, S; Mohr, W; Mori, T; Mutter, A; Mättig, P; Nagai, K; Nakamura, I; Nanjo, H; Neal, H A; Nisius, R; O'Neale, S W; Oh, A; Okpara, A N; Oreglia, M J; Orito, S; Pahl, C; Pater, J R; Patrick, G N; Pilcher, J E; Pinfold, J L; Plane, D E; Poli, B; Polok, J; Pooth, O; Przybycien, M B; Pásztor, G; Quadt, A; Rabbertz, K; Rembser, C; Renkel, P; Roney, J M; Rosati, S; Rozen, Y; Runge, K; Sachs, K; Saeki, T; Sarkisyan-Grinbaum, E; Schaile, A D; Schaile, O; Scharff-Hansen, P; Schieck, J; Schröder, M; Schumacher, M; Schwick, C; Schörner-Sadenius, T; Scott, W G; Sen-Gupta, A; Seuster, R; Shears, T G; Shen, B C; Sherwood, P; Siroli, G P; Skuja, A; Smith, A M; Sobie, R J; Spanó, F; Stahl, A; Stephens, K; Strom, D; Ströhmer, R; Söldner-Rembold, S; Tarem, S; Tasevsky, M; Taylor, R J; Teuscher, R; Thomson, M A; Torrence, E; Toya, D; Tran, P; Trigger, I; Trócsányi, Z L; Tsur, E; Turner-Watson, M F; Ueda, I; Ujvári, B; Vannerem, P; Vertesi, R; Verzocchi, M; Vollmer, C F; Voss, H; Vossebeld, Joost Herman; Waller, D; Ward, C P; Ward, D R; Watkins, P M; Watson, A T; Watson, N K; Wells, P S; Wengler, T; Wermes, N; Wetterling, D; Wilson, G W; Wilson, J A; Wolf, G; Wyatt, T R; Yamashita, S; Zer-Zion, D; Zivkovic, L

    2003-01-01

    A search for pair-produced leptoquarks is performed using e+e- collision events collected by the OPAL detector at LEP at centre-of-mass energies between 189 and 209 GeV. The data sample corresponds to a total integrated luminosity of 596 pb^-1. The leptoquarks are assumed to be produced via couplings to the photon and the Z0. For a given search channel only leptoquark decays involving a single lepton generation are considered. No evidence for leptoquark pair production is observed. Lower limits on masses for scalar and vector leptoquarks are calculated. The results improve most of the LEP limits derived from previous searches for the pair production process by 10-25 GeV, depending on the leptoquark quantum numbers.

  2. Exposure-dependent misclassification of exposure in interaction analyses

    DEFF Research Database (Denmark)

    Lundberg, Mats; Hallqvist, J; Diderichsen, Finn

    1999-01-01

    The objectives of this paper are to analyze the consequences of exposure misclassification on effect estimates in interaction analysis, and to develop a mathematical equation for the potentially biased estimate. The main point is to identify situations in which misclassification of the first expo...

  3. Neutron diffraction test on spin-dependent short range interaction

    CERN Document Server

    Voronin, V V

    2008-01-01

    In this short note we discuss the possibility to get the constraint on the parameters of short range pseudomagnetic interaction of free neutron with matter from the crystal-diffraction experiment. It is demonstrated that for range of $\\lambda<10^{-6}$m this constraint can be a few order better than in any other method.

  4. Pair-Production of W Bosons in $e^+ e^-$ Interactions at $\\sqrt{s}$ = 161 GeV

    CERN Document Server

    Acciarri, M; Aguilar-Benítez, M; Ahlen, S P; Alpat, B; Alcaraz, J; Alemanni, G; Allaby, James V; Aloisio, A; Alverson, G; Alviggi, M G; Ambrosi, G; Anderhub, H; Andreev, V P; Angelescu, T; Anselmo, F; Antreasyan, D; Arefev, A; Azemoon, T; Aziz, T; Bagnaia, P; Baksay, L; Banerjee, S; Banicz, K; Barillère, R; Barone, L; Bartalini, P; Baschirotto, A; Basile, M; Battiston, R; Bay, A; Becattini, F; Becker, U; Behner, F; Berdugo, J; Berges, P; Bertucci, B; Betev, B L; Bhattacharya, S; Biasini, M; Biland, A; Bilei, G M; Blaising, J J; Blyth, S C; Bobbink, Gerjan J; Böck, R K; Böhm, A; Borgia, B; Bourilkov, D; Bourquin, Maurice; Braccini, S; Branson, J G; Brigljevic, V; Brock, I C; Buffini, A; Buijs, A; Burger, J D; Burger, W J; Busenitz, J K; Button, A M; Cai, X D; Campanelli, M; Capell, M; Cara Romeo, G; Caria, M; Carlino, G; Cartacci, A M; Casaus, J; Castellini, G; Cavallari, F; Cavallo, N; Cecchi, C; Cerrada-Canales, M; Cesaroni, F; Chamizo-Llatas, M; Chan, A; Chang, Y H; Chaturvedi, U K; Chekanov, S V; Chemarin, M; Chen, A; Chen, G; Chen, G M; Chen, H F; Chen, H S; Chéreau, X J; Chiefari, G; Chien, C Y; Choi, M T; Cifarelli, Luisa; Cindolo, F; Civinini, C; Clare, I; Clare, R; Cohn, H O; Coignet, G; Colijn, A P; Colino, N; Commichau, V; Costantini, S; Cotorobai, F; de la Cruz, B; Csilling, Akos; Dai, T S; D'Alessandro, R; De Asmundis, R; Degré, A; Deiters, K; Della Volpe, D; Denes, P; De Notaristefani, F; DiBitonto, Daryl; Diemoz, M; Van Dierendonck, D N; Di Lodovico, F; Dionisi, C; Dittmar, Michael; Dominguez, A; Doria, A; Dova, M T; Drago, E; Duchesneau, D; Duinker, P; Durán, I; Dutta, S; Easo, S; Efremenko, Yu V; El-Mamouni, H; Engler, A; Eppling, F J; Erné, F C; Ernenwein, J P; Extermann, Pierre; Fabre, M; Faccini, R; Falciano, S; Favara, A; Fay, J; Fedin, O; Felcini, Marta; Fenyi, B; Ferguson, T; Fernández, D; Ferroni, F; Fesefeldt, H S; Fiandrini, E; Field, J H; Filthaut, Frank; Fisher, P H; Forconi, G; Fredj, L; Freudenreich, Klaus; Furetta, C; Galaktionov, Yu; Ganguli, S N; García-Abia, P; Gau, S S; Gentile, S; Gheordanescu, N; Giagu, S; Goldfarb, S; Goldstein, J; Gong, Z F; Gougas, Andreas; Gratta, Giorgio; Grünewald, M W; Gupta, V K; Gurtu, A; Gutay, L J; Hartmann, B; Hasan, A; Hatzifotiadou, D; Hebbeker, T; Hervé, A; Van Hoek, W C; Hofer, H; Hoorani, H; Hou, S R; Hu, G; Innocente, Vincenzo; Jenkes, K; Jin, B N; Jones, L W; de Jong, P; Josa-Mutuberria, I; Kasser, A; Khan, R A; Kamrad, D; Kamyshkov, Yu A; Kapustinsky, J S; Karyotakis, Yu; Kaur, M; Kienzle-Focacci, M N; Kim, D; Kim, J K; Kim, S C; Kim, Y G; Kinnison, W W; Kirkby, A; Kirkby, D; Kirkby, Jasper; Kiss, D; Kittel, E W; Klimentov, A; König, A C; Korolko, I; Koutsenko, V F; Krämer, R W; Krenz, W; Kunin, A; Ladrón de Guevara, P; Laktineh, I; Landi, G; Lapoint, C; Lassila-Perini, K M; Laurikainen, P; Lebeau, M; Lebedev, A; Lebrun, P; Lecomte, P; Lecoq, P; Le Coultre, P; Lee Jae Sik; Lee, K Y; Le Goff, J M; Leiste, R; Leonardi, E; Levchenko, P M; Li Chuan; Lieb, E H; Lin, W T; Linde, Frank L; Lista, L; Liu, Z A; Lohmann, W; Longo, E; Lu, W; Lü, Y S; Lübelsmeyer, K; Luci, C; Luckey, D; Luminari, L; Lustermann, W; Ma Wen Gan; Maity, M; Majumder, G; Malgeri, L; Malinin, A; Maña, C; Mangeol, D J J; Mangla, S; Marchesini, P A; Marin, A; Martin, J P; Marzano, F; Massaro, G G G; McNally, D; McNeil, R R; Mele, S; Merola, L; Meschini, M; Metzger, W J; Von der Mey, M; Mi, Y; Mihul, A; Van Mil, A J W; Mirabelli, G; Mnich, J; Molnár, P; Monteleoni, B; Moore, R; Morganti, S; Moulik, T; Mount, R; Müller, S; Muheim, F; Muijs, A J M; Nagy, E; Nahn, S; Napolitano, M; Nessi-Tedaldi, F; Newman, H; Niessen, T; Nippe, A; Nisati, A; Nowak, H; Opitz, H; Organtini, G; Ostonen, R; Pandoulas, D; Paoletti, S; Paolucci, P; Park, H K; Pascale, G; Passaleva, G; Patricelli, S; Paul, T; Pauluzzi, M; Paus, C; Pauss, Felicitas; Peach, D; Pei, Y J; Pensotti, S; Perret-Gallix, D; Petersen, B; Petrak, S; Pevsner, A; Piccolo, D; Pieri, M; Pinto, J C; Piroué, P A; Pistolesi, E; Plyaskin, V; Pohl, M; Pozhidaev, V; Postema, H; Produit, N; Prokofev, D; Prokofiev, D O; Rahal-Callot, G; Rancoita, P G; Rattaggi, M; Raven, G; Razis, P A; Read, K; Ren, D; Rescigno, M; Reucroft, S; Van Rhee, T; Riemann, S; Riles, K; Ro, S; Robohm, A; Rodin, J; Rodríguez-Calonge, F J; Roe, B P; Romero, L; Rosier-Lees, S; Rosselet, P; Van Rossum, W; Roth, S; Rubio, Juan Antonio; Rykaczewski, H; Salicio, J; Sánchez, E; Sanders, M P; Santocchia, A; Sarakinos, M E; Sarkar, S; Sassowsky, M; Schäfer, C; Shchegelskii, V; Schmidt-Kärst, S; Schmitz, D; Schmitz, P; Scholz, N; Schopper, Herwig Franz; Schotanus, D J; Schwenke, J; Schwering, G; Sciacca, C; Sciarrino, D; Servoli, L; Shevchenko, S; Shivarov, N; Shoutko, V; Shukla, J; Shumilov, E; Shvorob, A V; Siedenburg, T; Son, D; Sopczak, André; Smith, B; Spillantini, P; Steuer, M; Stickland, D P; Stone, H; Stoyanov, B; Strässner, A; Strauch, K; Sudhakar, K; Sultanov, G G; Sun, L Z; Susinno, G F; Suter, H; Swain, J D; Tang, X W; Tauscher, Ludwig; Taylor, L; Ting, Samuel C C; Ting, S M; Tonutti, M; Tonwar, S C; Tóth, J; Tully, C; Tuchscherer, H; Tung, K L; Uchida, Y; Ulbricht, J; Uwer, U; Valente, E; Van de Walle, R T; Vesztergombi, G; Vetlitskii, I; Viertel, Gert M; Vivargent, M; Völkert, R; Vogel, H; Vogt, H; Vorobev, I; Vorobyov, A A; Vorvolakos, A; Wadhwa, M; Wallraff, W; Wang, J C; Wang, X L; Wang, Z M; Weber, A; Wittgenstein, F; Wu, S X; Wynhoff, S; Xu, J; Xu, Z Z; Yang, B Z; Yang, C G; Yao, X Y; Ye, J B; Yeh, S C; You, J M; Zalite, A; Zalite, Yu; Zemp, P; Zeng, Y; Zhang, Z; Zhang, Z P; Zhou, B; Zhu, G Y; Zhu, R Y; Zichichi, Antonino; Ziegler, F

    1997-01-01

    We report on the measurement of W-boson pair-production with the L3 detector at LEP at a centre-of-mass energy of 161.34~\\GeV. In a data sample corresponding to a total luminosity of 11~pb$^{-1}$, we select four-fermion events with high invariant masses of pairs of hadronic jets or leptons. Combining all final states, the measured total cross section for W-pair production is: $\\SWW = 2.89^{+0.81}_{-0.70}~(stat.)\\pm0.14~(syst.)$~pb. Within the Standard Model, this corresponds to a mass of the W boson of: $\\MW = 80.80^{+0.48}_{-0.42}~(exp.)\\pm 0.03$~(LEP)~\\GeV. Limits on anomalous triple-vector-boson couplings are derived. \\end{abstract}

  5. Temperature dependence of the effective interdimer exchange interaction in a weakly coupled antiferromagnetic dimer copper compound

    Science.gov (United States)

    Calvo, Rafael; Santana, Vinicius T.; Nascimento, Otaciro R.

    2017-08-01

    We report a variation with temperature T of the effective interdimeric interaction Jeff' in the antiferromagnetic (AFM) copper dimeric organic compound Cu2[TzTs] 4 (N -thiazol-2-yl-toluenesulfonamidate CuII). This T dependence was obtained from measurements of the effects in the electron paramagnetic resonance (EPR) spectra of the proposed quantum phase transition associated with the exchange-narrowing processes. Cu2[TzTs] 4 contains exchange-coupled pairs of CuII spins SA and SB (S =1 /2 ), with intradimeric AFM exchange coupling J0=(-115 ±1 ) cm-1 (Hex=-J0SA.SB ). The variation of the EPR linewidth of single crystals with field orientation around a "magic angle" where the transitions intersect and the integrated signal intensity of the so-called U peak of the powder spectrum were measured as a function of T . Modeling these data using arguments of exchange narrowing in the adiabatic regime considering the angular variation of the single-crystal spectra and a geometric description, we find that the effective interdimeric coupling | Jeff'| associated with the exchange frequency ωex is negligible for T ≪| J0/kB| when the units are uncoupled and | Jeff'|=(0.080 ±0.005 ) cm-1 (| Jeff'/J0|=7.0 × 10-4 ) at 298 K. Within this T interval, two ranges of | Jeff'| with linear temperature variation but different slopes, with a kink at ˜80 K, are observed and discussed. This T dependence arises from the growing population of the triplet state, and its relevance to the properties of various arrays of dimeric units is discussed. Our experimental procedures and results are compared with those of previous works in ion radical salts and dimeric metal compounds. The relation between the effective coupling | Jeff'| and the real interdimeric exchange coupling | J'| related to the chemical paths connecting neighbor units is discussed.

  6. Signature of time-dependent hydrodynamic interactions on collective diffusion in colloidal monolayers

    Science.gov (United States)

    Domínguez, Alvaro

    2014-12-01

    It has been shown recently that the coefficient of collective diffusion in a colloidal monolayer is divergent due to the hydrodynamic interactions mediated by the ambient fluid in bulk. The analysis is extended to allow for time-dependent hydrodynamic interactions. Observational features specific to this time dependency are predicted. The possible experimental detection in the dynamics of the monolayer is discussed.

  7. One pair of hands is not like another: caudate BOLD response in dogs depends on signal source and canine temperament

    Science.gov (United States)

    Cook, Peter F.; Spivak, Mark

    2014-01-01

    Having previously used functional MRI to map the response to a reward signal in the ventral caudate in awake unrestrained dogs, here we examined the importance of signal source to canine caudate activation. Hand signals representing either incipient reward or no reward were presented by a familiar human (each dog’s respective handler), an unfamiliar human, and via illustrated images of hands on a computer screen to 13 dogs undergoing voluntary fMRI. All dogs had received extensive training with the reward and no-reward signals from their handlers and with the computer images and had minimal exposure to the signals from strangers. All dogs showed differentially higher BOLD response in the ventral caudate to the reward versus no reward signals, and there was a robust effect at the group level. Further, differential response to the signal source had a highly significant interaction with a dog’s general aggressivity as measured by the C-BARQ canine personality assessment. Dogs with greater aggressivity showed a higher differential response to the reward signal versus no-reward signal presented by the unfamiliar human and computer, while dogs with lower aggressivity showed a higher differential response to the reward signal versus no-reward signal from their handler. This suggests that specific facets of canine temperament bear more strongly on the perceived reward value of relevant communication signals than does reinforcement history, as each of the dogs were reinforced similarly for each signal, regardless of the source (familiar human, unfamiliar human, or computer). A group-level psychophysiological interaction (PPI) connectivity analysis showed increased functional coupling between the caudate and a region of cortex associated with visual discrimination and learning on reward versus no-reward trials. Our findings emphasize the sensitivity of the domestic dog to human social interaction, and may have other implications and applications pertinent to the training

  8. One pair of hands is not like another: caudate BOLD response in dogs depends on signal source and canine temperament

    Directory of Open Access Journals (Sweden)

    Peter F. Cook

    2014-09-01

    Full Text Available Having previously used functional MRI to map the response to a reward signal in the ventral caudate in awake unrestrained dogs, here we examined the importance of signal source to canine caudate activation. Hand signals representing either incipient reward or no reward were presented by a familiar human (each dog’s respective handler, an unfamiliar human, and via illustrated images of hands on a computer screen to 13 dogs undergoing voluntary fMRI. All dogs had received extensive training with the reward and no-reward signals from their handlers and with the computer images and had minimal exposure to the signals from strangers. All dogs showed differentially higher BOLD response in the ventral caudate to the reward versus no reward signals, and there was a robust effect at the group level. Further, differential response to the signal source had a highly significant interaction with a dog’s general aggressivity as measured by the C-BARQ canine personality assessment. Dogs with greater aggressivity showed a higher differential response to the reward signal versus no-reward signal presented by the unfamiliar human and computer, while dogs with lower aggressivity showed a higher differential response to the reward signal versus no-reward signal from their handler. This suggests that specific facets of canine temperament bear more strongly on the perceived reward value of relevant communication signals than does reinforcement history, as each of the dogs were reinforced similarly for each signal, regardless of the source (familiar human, unfamiliar human, or computer. A group-level psychophysiological interaction (PPI connectivity analysis showed increased functional coupling between the caudate and a region of cortex associated with visual discrimination and learning on reward versus no-reward trials. Our findings emphasize the sensitivity of the domestic dog to human social interaction, and may have other implications and applications

  9. Spin-dependent recombination and hyperfine interaction at deep defects

    Science.gov (United States)

    Ivchenko, E. L.; Bakaleinikov, L. A.; Kalevich, V. K.

    2015-05-01

    We present a theoretical study of optical electron-spin orientation and spin-dependent Shockley-Read-Hall recombination in the longitudinal magnetic field, taking into account the hyperfine coupling between the bound-electron spin and the nuclear spin of a deep paramagnetic center. The master rate equations for the coupled system are extended to describe the nuclear spin relaxation by using two distinct relaxation times, τn 1 and τn 2, respectively, for defect states with one and two (singlet) bound electrons. The general theory is developed for an arbitrary value of the nuclear spin I . The magnetic-field and excitation-power dependencies of the electron and nuclear spin polarizations are calculated for the value of I =1 /2 . In this particular case the nuclear effects can be taken into account by a simple replacement of the bound-electron spin relaxation time by an effective time dependent on free-electron and hole densities and free-electron spin polarization. The role of nuclear spin relaxation is visualized by isolines of the electron spin polarization on a two-dimensional graph with the axes log2(τn 1) and log2(τn 2) .

  10. New Theoretical Insight into the Interactions and Properties of Formic Acid: Development of a Quantum-Based Pair Potential for Formic Acid.

    Energy Technology Data Exchange (ETDEWEB)

    Roszak, S; Gee, R; Balasubramanian, K; Fried, L

    2005-08-08

    We performed ab initio quantum chemical studies for the development of intra and intermolecular interaction potentials for formic acid for use in molecular dynamics simulations of formic acid molecular crystal. The formic acid structures considered in the ab initio studies include both the cis and trans monomers which are the conformers that have been postulated as part of chains constituting liquid and crystal phases under extreme conditions. Although the cis to trans transformation is not energetically favored, the trans isomer was found as a component of stable gas-phase species. Our decomposition scheme for the interaction energy indicates that the hydrogen bonded complexes are dominated by the Hartree-Fock forces while parallel clusters are stabilized by the electron correlation energy. The calculated three-body and higher interactions are found to be negligible, thus rationalizing the development of an atom-atom pair potential for formic acid based on high-level ab initio calculations of small formic acid clusters. Here we present an atom-atom pair potential that includes both intra- and inter-molecular degrees of freedom for formic acid. The newly developed pair potential is used to examine formic acid in the condensed phase via molecular dynamics simulations. The isothermal compression under hydrostatic pressure obtained from molecular dynamics simulations is in good agreement with experiment. Further, the calculated equilibrium melting temperature is found to be in good agreement with experiment.

  11. Early annihilation and diffuse backgrounds in models of weakly interacting massive particles in which the cross section for pair annihilation is enhanced by 1/upsilon.

    Science.gov (United States)

    Kamionkowski, Marc; Profumo, Stefano

    2008-12-31

    Recent studies have considered modifications to the standard weakly interacting massive particle scenario in which the pair annihilation cross section (times relative velocity v) is enhanced by a factor 1/upsilon to approximately 10(-3) in the Galaxy, enough to explain several puzzling Galactic radiation signals. We show that in these scenarios a burst of weakly interacting massive particle annihilation occurs in the first collapsed dark-matter halos. We show that severe constraints to the annihilation cross section derive from measurements of the diffuse extragalactic radiation and from ionization and heating of the intergalactic medium.

  12. Impact of Tag-Side Interference on Time-Dependent CP Asymmetry Measurements Using Coherent B0-B0bar Pairs

    CERN Document Server

    Long, O

    2003-01-01

    Interference between CKM-favored b -> c(bar u)d and doubly-CKM-suppressed (bar b) -> (bar u)c(bar d) amplitudes in final states used for B flavor tagging gives deviations from the standard time evolution assumed in CP-violation measurements at B factories producing coherent B sup 0 (bar B) sup 0 pairs. We evaluate these deviations for the standard time-dependent CP-violation measurements, the uncertainties they introduce in the measured quantities, and give suggestions for minimizing them. The uncertainty in the measured CP asymmetry for CP eigenstates is approx 2% or less. The time-dependent analysis of D*pi, proposed for measuring sin(2 beta + gamma), must incorporate possible tag-side interference, which could produce asymmetries as large signal asymmetry.

  13. Effect of interband interactions on the pressure dependence on transition temperature of MgB2

    Science.gov (United States)

    Ogbuu, Okechukwu A.; Abah, Obinna

    2015-12-01

    A two-band BCS model with interactions, both phonon and non-phonon induced interactions, were employed to investigate the pressure dependence on superconducting transition temperature of two-band superconductor. We derived the transition temperature and its pressure dependence within Bogoliubov--Valatin formalism for magnesium diboride superconductor. We examined the influence of interband interactions on transition temperature at varying pressure and analyzed the relevance of this calculation in magnesium diboride, MgB2.

  14. Multiparton Interactions with an x-dependent Proton Size

    CERN Document Server

    Corke, Richard

    2011-01-01

    Theoretical arguments, supported by other indirect evidence, suggest that the wave function of high-x partons should be narrower than that of low-x ones. In this article, we present a modification to the variable impact parameter framework of Pythia 8 to model this effect. In particular, a Gaussian hadronic matter profile is introduced, with a width dependent on the x value of the constituent being probed. Results are compared against the default single- and double-Gaussian profiles, as well as an intermediate overlap function.

  15. The task dependent interaction of the deactivation regions

    Institute of Scientific and Technical Information of China (English)

    ZHANG Ye; FENG ShiGang; FENG HongBo; DONG Feng; TANG YiYuan

    2008-01-01

    Although deactivation has been found frequently in former functional brain imaging researches, only recently has it become a focus of systematic study because of its not well understood physiological mechanism. However, most of the researches concentrated on the brain areas that would present de-activation, and, to our knowledge, the deactivation connectivity between these brain areas during the cognitive tasks has rarely been reported in literature. In this work, using the functional connectivity method WlCA (within-condition interregional covariance analysis), we analyzed the deactivations in two different cognitive tasks-symbol orientation and number comparison. The results revealed de-activations in the posterior cingulate, precuneus, anterior cingulate and prefrontal cortex in both tasks. However, the interaction between the deactivated regions shows many differences. Our result further indicates that the potential implication of special deactivation connectivity may be related to the dif-ferent task or attention resource. Further research is needed to clarify the exact reason.

  16. Time-dependent interactions between iboga agents and cocaine.

    Science.gov (United States)

    Maisonneuve, I M; Visker, K E; Mann, G L; Bandarage, U K; Kuehne, M E; Glick, S D

    1997-10-08

    The purpose of this study was to clarify the effects of iboga agents on cocaine-induced hyperactivity. Both inhibition and enhancement of cocaine-induced activity by ibogaine have been reported. In the present study, rats were treated with either ibogaine (40 mg/kg, i.p.), noribogaine (40 mg/kg, i.p.), 18-methoxycoronaridine (40 mg/kg, i.p.), or saline, 1 or 19 h prior to the administration of cocaine (20 mg/kg, i.p.) or saline. Motor activity was monitored thereafter for 3 h. All three iboga agents had acute inhibitory effects and delayed potentiating effects on cocaine-induced hyperactivity. These time-dependent effects, which could not be attributed to the motor activity induced by the iboga agents alone, account for divergent results reported in the literature.

  17. Temperature Dependent Variations of Phonon Interactions in Nanocrystalline Cerium Oxide

    Directory of Open Access Journals (Sweden)

    Sugandha Dogra Pandey

    2015-01-01

    Full Text Available The temperature dependent anharmonic behavior of the phonon modes of nanocrystalline CeO2 was investigated in the temperature range of 80–440 K. The anharmonic constants have been derived from the shift in phonon modes fitted to account for the anharmonic contributions as well as the thermal expansion contribution using the high pressure parameters derived from our own high pressure experimental data reported previously. The total anharmonicity has also been estimated from the true anharmonicity as well as quasiharmonic component. In the line-width variation analysis, the cubic anharmonic term was found to dominate the quartic term. Finally, the phonon lifetime also reflected the trend so observed.

  18. Separate spatial Holographic-Hamiltonian soliton pairs and solitons interaction in an unbiased series photorefractive crystal circuit.

    Science.gov (United States)

    Cai, Xin; Liu, Jinsong; Wang, Shenglie

    2009-02-16

    This paper presents calculations for an idea in photorefractive spatial soliton, namely, a dissipative holographic soliton and a Hamiltonian soliton in one dimension form in an unbiased series photorefractive crystal circuit consisting of two photorefractive crystals of which at least one must be photovoltaic. The two solitons are known collectively as a separate Holographic-Hamiltonian spatial soliton pair and there are two types: dark-dark and bright-dark if only one crystal of the circuit is photovoltaic. The numerical results show that the Hamiltonian soliton in a soliton pair can affect the holographic one by the light-induced current whereas the effect of the holographic soliton on the Hamiltonian soliton is too weak to be ignored, i.e., the holographic soliton cannot affect the Hamiltonian one.

  19. Spectroscopic Manifestation of Dye Pair Interactions at High Concentrations in structurally organized SiO2 Films

    CERN Document Server

    Tikhonov, E A

    2010-01-01

    Concentration spectral manifestation of the ionic and neutral dyes encapsulated in mesoporous silicate films was studied. The mesoporous dyed SiO2 film was prepared by sol-gel technology with use as surfactant the amphiphilic three-bloc copolymer Pluronic P123. It was discovered when dye concentration exceeds mesoporous one the new spectral bands appear that are distinct from the initial monomolecular predecessors. To explain the phenomena guess is formulated and proved that origin of new spectrums is obliged to formation of the ionic pairs, excimers and excitons with participation of dye molecules localized in the characteristic places of mesoporous silicate film. Key terms: mesoporous silicate film, polymer micelles, dye fluorescence, excimers, ionic pair

  20. Applications of mean-field plus nearest-orbit pairing interaction model to well-deformed nuclei

    CERN Document Server

    Chen Yu Yan

    2002-01-01

    An exactly solvable mean-field plus nearest-orbit pairing model for describing the well-deformed nuclei is adopted for study of the nuclei in rare-earth and actinide regions. Binding energies and pairing excitation energies of sup 1 sup 5 sup 8 sup - sup 1 sup 7 sup 1 Er, sup 1 sup 6 sup 0 sup - sup 1 sup 7 sup 8 Yb, sup 1 sup 7 sup 0 sup - sup 1 sup 8 sup 3 Hf, sup 2 sup 2 sup 6 sup - sup 2 sup 3 sup 4 Th, sup 2 sup 3 sup 0 sup - sup 2 sup 4 sup 0 U and sup 2 sup 3 sup 6 sup - sup 2 sup 4 sup 3 Pu isotopes are calculated and compared with the corresponding experimental results

  1. [Interaction of nurses and women caring informally for dependent persons].

    Science.gov (United States)

    Delicado Useros, M V; Candel Parra, E; Alfaro Espín, A; López Máñez, M; García Borge, C

    2004-03-15

    To find the attitudes that primary care nurses in Albacete have towards family carers. Qualitative research using discussion groups. Primary care in Albacete: 5 health centres, 2 rural and 3 urban. Nurses following a primary care home visit programme, of both sexes, differing experience and training, and coming from both rural and urban areas took part. Exclusion criterion: nurses in management and administrative posts at time of recruitment. They were recruited by primary care nurses in line with the profiles of participants required. Information was collected through discussion in the groups, which was recorded and later transcribed for analysis. Those taking part in the 2 discussion groups had the following characteristics: 3 men and 8 women. 5 of them were from rural health centres (HC) and 6 from urban HC; 3 had under 2 years experience in the Home Visit Programme (HVP) and 8 had over 5 years experience in it; 5 completed their nursing studies before 1990, and 6 afterwards. In the chats it was clear that the broad experience of PC nurses made them aware of the health situation and quality of life of informal carers, of the loneliness of these and the inter-personal conflicts that occur in families when a situation of dependency arises. Nurses had their educational function towards the carers assumed despite the limitations. The view that the responsibility for the care of the dependent person is the family's was predominant, and a concern for lack of resources and support was appreciated. Nurses had a view of the carer as a resource and barely perceived her as a patient.

  2. Angle-Dependent Ionization of Small Molecules by Time-Dependent Configuration Interaction and an Absorbing Potential.

    Science.gov (United States)

    Krause, Pascal; Schlegel, H Bernhard

    2015-06-04

    The angle-dependence of strong field ionization of O2, N2, CO2, and CH2O has been studied theoretically using a time-dependent configuration interaction approach with a complex absorbing potential (TDCIS-CAP). Calculation of the ionization yields as a function of the direction of polarization of the laser pulse produces three-dimensional surfaces of the angle-dependent ionization probability. These three-dimensional shapes and their variation with laser intensity can be interpreted in terms of ionization from the highest occupied molecular orbital (HOMO) and lower lying orbitals, and the Dyson orbitals for the ground and excited states of the cations.

  3. Infrared spectrum of the Ag(+)-(pyridine)2 ionic complex: probing interactions in artificial metal-mediated base pairing.

    Science.gov (United States)

    Chakraborty, Shamik; Dopfer, Otto

    2011-07-11

    The isolated pyridine-Ag(+)-pyridine unit (Py-Ag(+)-Py) is employed as a model system to characterize the recently observed Ag(+)-mediated base pairing in DNA oligonucleotides at the molecular level. The structure and infrared (IR) spectrum of the Ag(+)-Py(2) cationic complex are investigated in the gas phase by IR multiple-photon dissociation (IRMPD) spectroscopy and quantum chemical calculations to determine the preferred metal-ion binding site and other salient properties of the potential-energy surface. The IRMPD spectrum has been obtained in the 840-1720 cm(-1) fingerprint region by coupling the IR free electron laser at the Centre Laser Infrarouge d'Orsay (CLIO) with a Fourier-transform ion cyclotron resonance (FT-ICR) mass spectrometer equipped with an electrospray ionization source. The spectroscopic results are interpreted with quantum chemical calculations conducted at the B3LYP/aug-cc-pVDZ level. The analysis of the IRMPD spectrum is consistent with a σ complex, in which the Ag(+) ion binds to the nitrogen lone pairs of the two Py ligands in a linear configuration. The binding motif of Py-Ag(+)-Py in the gas phase is the same as that observed in Ag(+)-mediated base pairing in solution. Ag(+) bonding to the π-electron system of the aromatic ring is predicted to be a substantially less-favorable binding motif.

  4. Effect of the metal environment on the ferromagnetic interaction in the Co-NC-W pairs of octacyanotungstate(V)-Cobalt(II) three-dimensional networks.

    Science.gov (United States)

    Clima, Sergiu; Hendrickx, Marc F A; Chibotaru, Liviu F; Soncini, Alessandro; Mironov, Vladimir; Ceulemans, Arnout

    2007-04-02

    State of the art CASSCF and CASPT2 calculations have been performed to elucidate the nature of ferromagnetism of CoII-NC-WV pairs in the three-dimensional compound [[WV(CN)2]2[(micro-CN)4CoII(H2O)2]3.4H2O]n, which has been recently synthesized and investigated by a number of experimental techniques (Herrera, J. M.; Bleuzen, A.; Dromzée, Y.; Julve, M.; Lloret, F.; Verdaguer, M. Inorg. Chem. 2003, 42, 7052-7059). In this network, the Co ions are in the high-spin (S = 3/2) state, while the single unpaired electron on the W centers occupies the lowest orbital of the dz2 type of the 5d shell. In agreement with the suggestion made by Herrera et al., we find that the ferromagnetism is due to a certain occupation scheme of the orbitals from the parent octahedral t2g shell on CoII sites, in which the orbital accommodating the unpaired electron is orthogonal to the dz2 orbitals of the surrounding W ions. We investigate the stabilization of such an orbital configuration on the Co sites and find that it cannot be achieved in the ground state of isolated mononuclear fragments [CoII(NC)4(OH2)2]2- for any conformations of the coordinated water molecules and Co-N-C bond angles. On the other hand, it is stabilized by the interaction of the complex with neighboring W ions, which are simulated here by effective potentials. The calculated exchange coupling constants for the CoII-NC-WV binuclear fragments are in reasonable agreement with the measured Curie-Weiss constant for this compound. As additional evidence for the inferred electronic configuration on the Co sites, the ligand-field transitions, the temperature-dependent magnetic susceptibility, and the field-dependent low-temperature magnetization, simulated ab initio for the mononuclear Co fragments, are in agreement with the available data for another compound [WIV[(micro-CN)4-CoII(H2O)2]2.4H2O]n containing diamagnetic W and high-spin Co ions in an isostructural environment.

  5. Some Interaction Solutions of a Reduced Generalised (3+1)-Dimensional Shallow Water Wave Equation for Lump Solutions and a Pair of Resonance Solitons

    Science.gov (United States)

    Wang, Yao; Chen, Mei-Dan; Li, Xian; Li, Biao

    2017-05-01

    Through Hirota bilinear transformation and symbolic computation with Maple, a class of lump solutions, rationally localised in all directions in the space, to a reduced generalised (3+1)-dimensional shallow water wave (SWW) equation are prensented. The resulting lump solutions all contain six parameters, two of which are free due to the translation invariance of the SWW equation and the other four of which must satisfy a nonzero determinant condition guaranteeing analyticity and rational localisation of the solutions. Then we derived the interaction solutions for lump solutions and one stripe soliton and the result shows that the particular lump solutions with specific values of the involved parameters will be drowned or swallowed by the stripe soliton. Furthermore, we extend this method to a more general combination of positive quadratic function and hyperbolic functions. Especially, it is interesting that a rogue wave is found to be aroused by the interaction between lump solutions and a pair of resonance stripe solitons. By choosing the values of the parameters, the dynamic properties of lump solutions, interaction solutions for lump solutions and one stripe soliton and interaction solutions for lump solutions and a pair of resonance solitons, are shown by dynamic graphs.

  6. Halogen bonding interactions between brominated ion pairs and CO2 molecules: implications for design of new and efficient ionic liquids for CO2 absorption.

    Science.gov (United States)

    Zhu, Xiang; Lu, Yunxiang; Peng, Changjun; Hu, Jun; Liu, Honglai; Hu, Ying

    2011-04-14

    In recent years, several novel halogenated liquids with characteristics of ionic liquids (ILs) were reported. To explore their performance in the absorption of CO(2), in this work, quantum chemical calculations at DFT level have been carried out to investigate halogen bonding interactions between experimentally available brominated ion pairs and CO(2) molecules. It is shown that, as compared to B3LYP, the functional PBE yields geometrical and energetic data more close to those of MP2 for cation-CO(2) systems. The cation of brominated ILs under study can interact with CO(2) molecules through Br···O interactions, possibly making an important impact on the physical solubility of CO(2) in brominated ILs. The optimized geometries of the complexes of the ion pair with CO(2) molecules are quite similar to those of the corresponding complexes of the cation, especially for the essentially linear C-Br···O contacts. However, much weaker halogen bonds are predicted in the former systems, as indicated by the longer intermolecular distances and the smaller interaction energies. Charges derived from NBO analysis reveal the origin of the different optimized conformations and halogen bonding interactions for the CO(2) molecule. Based on the electrostatic potential results, the substitution of hydrogen atoms with fluorine atoms constituting the cation is then applied to enhance halogen bond strength. The QTAIM analysis further validates the existence of halogen bonding interaction in all complexes. The topological properties at the halogen bond critical points indicate that the Br···O interactions in the complexes are basically electrostatic in nature and belong to conventional weak halogen bonds. This study would be helpful for designing new and effective ILs for CO(2) physical absorption.

  7. Investigation of humidity-dependent nanotribology behaviors of Si(1 0 0)/SiO2 pair moving from stick to slip

    Science.gov (United States)

    Yu, Jiaxin; Chen, Lei; Qian, Linmao; Song, Danlu; Cai, Yong

    2013-01-01

    With an atomic force microscopy, the humidity-dependent nanotribology behaviors of Si(1 0 0) against SiO2 microsphere were investigated while the relative movement translated from stick to slip. The relative humidity RH of air exhibits a strong effect on the motion behavior of Si(1 0 0)/SiO2 pair. With the increase in RH, relative movement of Si(1 0 0)/SiO2 pair is easier to keep into stick state, namely, the relative slip becomes more difficult to occur in a higher humidity range. The adhesion Fa will increase with the increase in RH in the given humidity range. In the low RH range (20%), Fa increases very sharply once 'liquid-like' adsorbed water layer forms, because it increases the capillary force. The initial friction forces Ft of Si(1 0 0)/SiO2 pair also increase with the increase in RH in the given humidity range. However, different from Fa, it increases sharply in the low RH range (30%). During the cyclic friction process, under the higher RH, relative stable tangential force is easier to be observed at higher displacement amplitude, here, the relative movement usually keeps into stick state. With the increase in RH, the surface damage of Si(1 0 0) transforms from mechanical deformation (forming hillock) to tribochemical wear (material removal). The tribochemical wear is sensitive to the absorbed water film with 'solid-like' structure, here, the wear volume increases drastically in this RH range (<20%); further increase of wear is small in higher relative humidity regime where the 'liquid-like' water layer is formed. Time-of-flight secondary ion mass spectrometry (ToF-SIMS) analysis verifies the water molecules participate into tribochemical reaction to rupture the Sisbnd Si and Sisbnd O network bonds on Si(1 0 0) substrate.

  8. Schwinger Pair Production in Pulsed Electric Fields

    CERN Document Server

    Kim, Sang Pyo; Ruffini, Remo

    2012-01-01

    We numerically investigate the temporal behavior and the structure of longitudinal momentum spectrum and the field polarity effect on pair production in pulsed electric fields in scalar quantum electrodynamics (QED). Using the evolution operator expressed in terms of the particle and antiparticle operators, we find the exact quantum states under the influence of electric pulses and measure the number of pairs of the Minkowski particle and antiparticle. The number of pairs, depending on the configuration of electric pulses, exhibits rich structures in the longitudinal momentum spectrum and undergoes diverse dynamical behaviors at the onset of the interaction but always either converges to a momentum-dependent constant or oscillates around a momentum-dependent time average after the completion of fields.

  9. Earthquake interevent time distributions reflect the proportion of dependent and independent events pairs and are therefore not universal

    Science.gov (United States)

    Naylor, Mark; Touati, Sarah; Main, Ian; Bell, Andrew

    2010-05-01

    Seismic activity is routinely quantified using event rates or their inverse, interevent times, which are more stable to extreme events [1]. It is common practice to model regional earthquake interevent times using a gamma distribution [2]. However, the use of this gamma distribution is empirically based, not physical. Our recent work has shown that the gamma distribution is an approximation that drops out of a physically based model after the commonly applied filtering of the raw data [3]. We show that in general, interevent time distributions have a fundamentally bimodal shape caused by the mixing of two contributions: correlated aftershocks, which have short interevent times and produce a gamma distribution; and independent events, which tend to be separated by longer intervals and are described by a Poisson distribution. The power-law segment of the gamma distribution arises at the cross over between these distributions. This physically based model is transferable to other fields to explain the form of cascading interevent time series with varying proportions of independent and dependent daughter events. We have found that when the independent or background rate of earthquakes is high, as is the case for earthquake catalogues spanning large regions, significant overlapping of separate aftershock sequences within the time series "masks" the effects of these aftershock sequences on the temporal statistics. The time series qualitatively appears more random; this is confirmed in the interevent time distribution, in the convergence of the mean interevent time, and in the poor performance of temporal ETAS parameter inversions on synthetic catalogues within this regime [4]. The aftershock-triggering characteristics within the data are thus hidden from observation in the time series by a high independent rate of events; spatial information about event occurrence is needed in this case to uncover the triggering structure in the data. We show that earthquake interevent

  10. Interaction effects on combustion of alcohol droplet pairs; Alcohol kei nenryo niekiteki no nensho ni okeru kansho koka

    Energy Technology Data Exchange (ETDEWEB)

    Okai, K.; Ono, Y.; Moriue, O.; Shiba, S.; Araki, M.; Tsue, M.; Kono, M. [The University of Tokyo, Tokyo (Japan); Nomura, H. [Nihon Univ., Chiba (Japan). Coll. of Industrial Technology; Shiga, S. [Gunma University, Gunma (Japan). Faculty of Engineering

    2000-02-25

    Experimental investigation was conducted on two droplet-array combustion of methanol and methanol/dodecanol mixture fuels in microgravity. For methanol, effects of ambient pressure and droplet spacing were examined. Results show that the droplet lifetime decreases with increasing spacing at relatively low pressure and the droplet lifetime becomes independent of spacing at higher-subcritical and supercritical pressures. For methanol/dodecanol mixture, effects of pressure, fuel composition were investigated in terms of occurrence of disruption. Disruption of droplet during combustion was demonstrated both for single droplet and droplet pairs. (author)

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

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    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.

  13. Spin-1/2 Ising-Heisenberg model with the pair XYZ Heisenberg interaction and quartic Ising interactions as the exactly soluble zero-field eight-vertex model.

    Science.gov (United States)

    Strecka, Jozef; Canová, Lucia; Minami, Kazuhiko

    2009-05-01

    The spin-1/2 Ising-Heisenberg model with the pair XYZ Heisenberg interaction and quartic Ising interactions is exactly solved by establishing a precise mapping relationship with the corresponding zero-field (symmetric) eight-vertex model. It is shown that the Ising-Heisenberg model with the ferromagnetic Heisenberg interaction exhibits a striking critical behavior, which manifests itself through re-entrant phase transitions as well as continuously varying critical exponents. The changes in critical exponents are in accordance with the weak universality hypothesis in spite of a peculiar singular behavior that emerges at a quantum critical point of the infinite order, which occurs at the isotropic limit of the Heisenberg interaction. On the other hand, the Ising-Heisenberg model with the antiferromagnetic Heisenberg interaction surprisingly exhibits less significant changes in both critical temperatures and critical exponents upon varying the strength of the exchange anisotropy in the Heisenberg interaction.

  14. Time-dependent restricted active space Configuration Interaction for the photoionization of many-electron atoms

    CERN Document Server

    Hochstuhl, David

    2012-01-01

    We introduce the time-dependent restricted active space Configuration Interaction method to solve the time-dependent Schr\\"odinger equation for many-electron atoms, and particularly apply it to the treatment of photoionization processes in atoms. The method is presented in a very general formulation and incorporates a wide range of commonly used approximation schemes, like the single-active electron approximation, time-dependent Configuration Interaction with single-excitations, or the time-dependent R-matrix method. We proof the applicability of the method by calculating the photoionization cross sections of Helium and Beryllium.

  15. Gauge angle dependence in TDHFB calculations of ${}^{20}$O + ${}^{20}$O head-on collisions with the Gogny interaction

    CERN Document Server

    Hashimoto, Yukio

    2016-01-01

    A numerical method to solve the TDHFB equations by using a hybrid basis of the two-dimensional harmonic oscillator eigenfunctions and one-dimensional Lagrange mesh with the Gogny effective interaction is applied to the head-on collisions of the superfluid nuclei ${}^{20}$O's. Taking the energies around the barrier top energy, the trajectories, pairing energies, and numbers of transferred nucleons are displayed. Their dependence on the relative gauge angle at the initial time is studied by taking typical sample points of the gauge angle. It turned out that the functional form of the flux of the neutrons across a section plane is proportional to the sine of the two times of the gauge angle.

  16. Search for exotic spin-dependent interactions with a spin-exchange relaxation-free magnetometer

    CERN Document Server

    Chu, P -H; Savukov, I M

    2016-01-01

    We propose a novel experimental approach to explore exotic spin-dependent interactions using a spin-exchange relaxation-free (SERF) magnetometer, the most sensitive non-cryogenic magnetic-field sensor. This approach studies the interactions between optically polarized electron spins located inside a vapor cell of the SERF magnetometer and unpolarized or polarized particles of external solid-state objects. The coupling of spin-dependent interactions to the polarized electron spins of the magnetometer induces the tilt of the electron spins, which can be detected with high sensitivity by a probe laser beam similarly as an external magnetic field. We estimate that by moving unpolarized or polarized objects next to the SERF Rb vapor cell, the experimental limit to the spin-dependent interactions can be significantly improved over existing experiments, and new limits on the coupling strengths can be set in the interaction range below 0.01 m.

  17. Reconstituting Protein Interaction Networks Using Parameter-Dependent Domain-Domain Interactions

    Science.gov (United States)

    2013-05-07

    that approximately 80% of eukaryotic proteins and 67% of prokaryotic proteins have multiple domains [13,14]. Most annotation databases characterize...domain annotations, Domain-domain interactions, Protein-protein interaction networks Background The living cell is a dynamic, interconnected system...detailed in Methods. Here, we illustrate its application on a well- annotated single- cell organism. We created a merged set of protein-domain annotations

  18. Combinatorial DNA Damage Pairing Model Based on X-Ray-Induced Foci Predicts the Dose and LET Dependence of Cell Death in Human Breast Cells

    Energy Technology Data Exchange (ETDEWEB)

    Vadhavkar, Nikhil [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Pham, Christopher [University of Texas, Houston, TX (United States). MD Anderson Cancer Center; Georgescu, Walter [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Life Sciences Div.; Deschamps, Thomas [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Life Sciences Div.; Heuskin, Anne-Catherine [Univ. of Namur (Belgium). Namur Research inst. for Life Sciences (NARILIS), Research Center for the Physics of Matter and Radiation (PMR); Tang, Jonathan [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Life Sciences Div.; Costes, Sylvain V. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Life Sciences Div.

    2014-09-01

    In contrast to the classic view of static DNA double-strand breaks (DSBs) being repaired at the site of damage, we hypothesize that DSBs move and merge with each other over large distances (m). As X-ray dose increases, the probability of having DSB clusters increases as does the probability of misrepair and cell death. Experimental work characterizing the X-ray dose dependence of radiation-induced foci (RIF) in nonmalignant human mammary epithelial cells (MCF10A) is used here to validate a DSB clustering model. We then use the principles of the local effect model (LEM) to predict the yield of DSBs at the submicron level. Two mechanisms for DSB clustering, namely random coalescence of DSBs versus active movement of DSBs into repair domains are compared and tested. Simulations that best predicted both RIF dose dependence and cell survival after X-ray irradiation favored the repair domain hypothesis, suggesting the nucleus is divided into an array of regularly spaced repair domains of ~;;1.55 m sides. Applying the same approach to high-linear energy transfer (LET) ion tracks, we are able to predict experimental RIF/m along tracks with an overall relative error of 12percent, for LET ranging between 30 350 keV/m and for three different ions. Finally, cell death was predicted by assuming an exponential dependence on the total number of DSBs and of all possible combinations of paired DSBs within each simulated RIF. Relative biological effectiveness (RBE) predictions for cell survival of MCF10A exposed to high-LET showed an LET dependence that matches previous experimental results for similar cell types. Overall, this work suggests that microdosimetric properties of ion tracks at the submicron level are sufficient to explain both RIF data and survival curves for any LET, similarly to the LEM assumption. Conversely, high-LET death mechanism does not have to infer linear-quadratic dose formalism as done in the LEM. In addition, the size of repair domains derived in our model

  19. Gene-environment interactions and alcohol use and dependence: current status and future challenges

    NARCIS (Netherlands)

    Zwaluw, C.S. van der; Engels, R.C.M.E.

    2009-01-01

    To discuss the current status of gene-environment interaction research with regard to alcohol use and dependence. Further, we highlight the difficulties concerning gene-environment studies. Overview of the current evidence for gene-environment interactions in alcohol outcomes, and of the associated

  20. Constraints on exotic spin-dependent interactions between electrons from helium fine-structure spectroscopy

    Science.gov (United States)

    Ficek, Filip; Kimball, Derek F. Jackson; Kozlov, Mikhail G.; Leefer, Nathan; Pustelny, Szymon; Budker, Dmitry

    2017-03-01

    Agreement between theoretical calculations of atomic structure and spectroscopic measurements is used to constrain possible contribution of exotic spin-dependent interactions between electrons to the energy differences between states in helium-4. In particular, constraints on dipole-dipole interactions associated with the exchange of pseudoscalar bosons (such as axions or axion-like particles) with masses 10-2≲m ≲104eV are improved by a factor of ˜100 . The first atomic-scale constraints on several exotic velocity-dependent dipole-dipole interactions are established as well.

  1. Temperature-dependent hyperfine interactions at {sup 111}Cd-C complex in germanium

    Energy Technology Data Exchange (ETDEWEB)

    Mola, Genene Tessema [University of Kwazulu-Natal, School Chemistry and Physics, Pietermaritzburg Campus, Private Bag X01, Scottsville (South Africa)

    2013-09-15

    The temperature dependent nuclear hyperfine interaction of {sup 111}Cd-carbon complex in germanium has been studied using the perturbed {gamma}-{gamma} angular correlation (PAC) method. The parameters of the hyperfine interaction representing substitutional carbon-cadmium complex in germanium ({nu} {sub Q1}=207(1) MHz ({eta}=0.16)) shows dependence on temperature. The formation and thermal stability of the complex has been reported by the same author earlier. It was found in this study that the quadrupole coupling constant of the interaction increases at sample temperature below 293 K. The results are encouraging toward better understanding of the complex in the host matrix. (orig.)

  2. The cyclin-dependent kinase 8 module sterically blocks Mediator interactions with RNA polymerase II

    DEFF Research Database (Denmark)

    Elmlund, Hans; Baraznenok, Vera; Lindahl, Martin

    2006-01-01

    CDK8 (cyclin-dependent kinase 8), along with CycC, Med12, and Med13, form a repressive module (the Cdk8 module) that prevents RNA polymerase II (pol II) interactions with Mediator. Here, we report that the ability of the Cdk8 module to prevent pol II interactions is independent of the Cdk8......-dependent kinase activity. We use electron microscopy and single-particle reconstruction to demonstrate that the Cdk8 module forms a distinct structural entity that binds to the head and middle region of Mediator, thereby sterically blocking interactions with pol II....

  3. Constraints on exotic spin-dependent interactions between electrons from helium fine-structure spectroscopy

    CERN Document Server

    Ficek, Filip; Kozlov, Mikhail; Leefer, Nathan; Pustelny, Szymon; Budker, Dmitry

    2016-01-01

    Agreement between theoretical calculations of atomic structure and spectroscopic measurements is used to constrain possible contribution of exotic spin-dependent interactions between electrons to the energy differences between states in helium-4. In particular, constraints on dipole-dipole interactions associated with the exchange of pseudoscalar bosons (such as axions or axion-like particles, ALPs) with masses $10^{-2}~{\\rm eV} \\lesssim m \\lesssim 10^{4}~{\\rm eV}$ are improved by a factor of $\\sim 100$. The first atomic-scale constraints on several exotic velocity-dependent dipole-dipole interactions are established as well.

  4. Temperature-dependent raman spectroscopy of lithium triflate-PEO complexes: phase equilibrium and component interactions.

    Science.gov (United States)

    Alloin, Fannie; Hirankumar, Gurusamy; Pagnier, Thierry

    2009-12-31

    Poly(ethylene oxide) and complexes of lithium trifluorosulfonate-poly(ethylene oxide) (LiTf-PEO) with 4 PEO)(3)LiTf defined compound has been deduced from the experimental data. Subtraction of the Raman spectrum due to (PEO)(3)LiTf in each sample allowed us to determine for the first time the composition and the Li(+)-Tf(-) and Li(+)-PEO interactions in the part of the polymer not crystallized as (PEO)(3)LiTf. It is shown that the local interactions between cation and anion or between cation and PEO chain persist even in the melted state, up to near the liquidus temperature. In particular, the Li(+)-PEO interactions decrease significantly just below the liquidus temperature with a simultaneous strong increase in the ion pair concentration.

  5. Density-mediated, context-dependent consumer-resource interactions between ants and extrafloral nectar plants.

    Science.gov (United States)

    Chamberlain, Scott A; Holland, J Nathaniel

    2008-05-01

    Interspecific interactions are often mediated by the interplay between resource supply and consumer density. The supply of a resource and a consumer's density response to it may in turn yield context-dependent use of other resources. Such consumer-resource interactions occur not only for predator-prey and competitive interactions, but for mutualistic ones as well. For example, consumer-resource interactions between ants and extrafloral nectar (EFN) plants are often mutualistic, as EFN resources attract and reward ants which protect plants from herbivory. Yet, ants also commonly exploit floral resources, leading to antagonistic consumer-resource interactions by disrupting pollination and plant reproduction. EFN resources associated with mutualistic ant-plant interactions may also mediate antagonistic ant-flower interactions through the aggregative density response of ants on plants, which could either exacerbate ant-flower interactions or alternatively satiate and distract ants from floral resources. In this study, we examined how EFN resources mediate the density response of ants on senita cacti in the Sonoran Desert and their context-dependent use of floral resources. Removal of EFN resources reduced the aggregative density of ants on plants, both on hourly and daily time scales. Yet, the increased aggregative ant density on plants with EFN resources decreased rather than increased ant use of floral resources, including contacts with and time spent in flowers. Behavioral assays showed no confounding effect of floral deterrents on ant-flower interactions. Thus, ant use of floral resources depends on the supply of EFN resources, which mediates the potential for both mutualistic and antagonistic interactions by increasing the aggregative density of ants protecting plants, while concurrently distracting ants from floral resources. Nevertheless, only certain years and populations of study showed an increase in plant reproduction through herbivore protection or ant

  6. The Nature of Negotiations in Face-to-Face versus Computer-Mediated Communication in Pair Interactions

    Science.gov (United States)

    Rouhshad, Amir; Wigglesworth, Gillian; Storch, Neomy

    2016-01-01

    The Interaction Approach argues that negotiation for meaning and form is conducive to second language development. To date, most of the research on negotiations has been either in face-to-face (FTF) or text-based synchronous computer-mediated communication (SCMC) modes. Very few studies have compared the nature of negotiations across the modes.…

  7. Systematical shell-model calculation in the pairing-plus-multipole Hamiltonian with a monopole interaction for the pf5/2g9/2 shell

    CERN Document Server

    Kaneko, K; Sun, Y; Tazaki, S

    2015-01-01

    The recently-proposed effective shell-model interaction, the pairing-plus-multipole Hamiltonian with the monopole interaction obtained by empirical fits starting from the monopole-based universal force (PMMU), is systematically applied to nuclei of the pf5/2g9/2 shell region. It is demonstrated that the calculation describes reasonably well a wide range of experimental data, including not only the low-lying and high-excitation spectra, E2 transitions, quadrupole moments, and magnetic moments, but also the binding energies, for Ni, Cu, Zn, Ga, Ge, As, and Se isotopes with A=64-80. In particular, a structure of the neutron-rich Ge and Se isotopes is discussed in detail.

  8. Social interactions of unfamiliar horses during paired encounters: Effect of pre-exposure on aggression level and so risk of injury

    DEFF Research Database (Denmark)

    Hartmann, Elke; Christensen, Janne Winther; Keeling, Linda J.

    2009-01-01

    investigated two hypotheses: (1) pre-exposure of young horses in neighbouring boxes reduces the frequency of aggressive interactions when the same horses are subsequently put together in a paddock compared to horses without this previous box experience, (2) the occurrence of aggressive behaviour, in particular...... contact aggression in the paddock can be predicted after observing the horses' social interactions in neighbouring boxes. Danish Warmblood mares (n = 20), 2 years old, were kept in two groups of 10 horses. In total, 60 encounters were arranged whereby each horse was confronted pair-wise with six horses...... from the other group, three according to each treatment: treatment I-box (B) and subsequent paddock meeting (BP), and treatment II-only paddock meeting (P). Horses met in neighbouring boxes for 5 min and together in the same paddock for 10 min. The frequencies of aggressive and non...

  9. Critical Schwinger Pair Production.

    Science.gov (United States)

    Gies, Holger; Torgrimsson, Greger

    2016-03-04

    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.

  10. Critical Schwinger pair production

    CERN Document Server

    Gies, Holger

    2015-01-01

    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 BKT-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 ...

  11. The Two Faces of Social Interaction Reward in Animal Models of Drug Dependence.

    Science.gov (United States)

    El Rawas, Rana; Saria, Alois

    2016-03-01

    Drug dependence is a serious health and social problem. Social factors can modify vulnerability to developing drug dependence, acting as risk factors or protective factors. Whereas stress and peer environment that encourage substance use may increase drug taking, strong attachments between family members and peer environment that do not experience drug use may protect against drug taking and, ultimately, drug dependence. The rewarding effects of drug abuse and social interaction can be evaluated using animal models. In this review we focus on evaluating social interaction reward in the conditioned place preference paradigm. We give an overview of how social interaction, if made available within the drug context, may facilitate, promote and interact with the drug's effects. However, social interaction, if offered alternatively outside the drug context, may have pronounced protective effects against drug abuse and relapse. We also address the importance of the weight difference parameter between the social partners in determining the positive or "agonistic" versus the hostile or "antagonistic" social interaction. We conclude that understanding social interaction reward and its subsequent effects on drug reward is sorely needed for therapeutic interventions against drug dependence.

  12. The Two Faces of Social Interaction Reward in Animal Models of Drug Dependence

    Science.gov (United States)

    Rawas, Rana El

    2016-01-01

    Drug dependence is a serious health and social problem. Social factors can modify vulnerability to developing drug dependence, acting as risk factors or protective factors. Whereas stress and peer environment that encourage substance use may increase drug taking, strong attachments between family members and peer environment that do not experience drug use may protect against drug taking and, ultimately, drug dependence. The rewarding effects of drug abuse and social interaction can be evaluated using animal models. In this review we focus on evaluating social interaction reward in the conditioned place preference paradigm. We give an overview of how social interaction, if made available within the drug context, may facilitate, promote and interact with the drug’s effects. However, social interaction, if offered alternatively outside the drug context, may have pronounced protective effects against drug abuse and relapse. We also address the importance of the weight difference parameter between the social partners in determining the positive or “agonistic” versus the hostile or “antagonistic” social interaction. We conclude that understanding social interaction reward and its subsequent effects on drug reward is sorely needed for therapeutic interventions against drug dependence. PMID:26088685

  13. Interactions of /sup 14/N:/sup 15/N stearic acid spin-label pairs: effects of host lipid alkyl chain length and unsaturation

    Energy Technology Data Exchange (ETDEWEB)

    Feix, J.B.; Yin, J.J.; Hyde, J.S.

    1987-06-30

    Electron-electron double resonance (ELDOR) and saturation recovery electron paramagnetic resonance (EPR) spectroscopy have been employed to examine the interactions of /sup 14/N:/sup 15/N stearic acid spin-label pairs in fluid-phase model membrane bilayers composed of a variety of phospholipids. The (/sup 14/N)-16-doxylstearate:(/sup 15/N)-16-doxylstearate (16:16) pair was utilized to measure lateral diffusion of the spin-labels, while the (/sup 14/N)-16-doxylstearate:(/sup 15/N)-5-doxylstearate (16:5) pair provided information on vertical fluctuations of the 16-doxylstearate nitroxide moiety toward the membrane surface. Three saturated host lipids of varying alkyl chain length (dimyristoylphosphatidylcholine (DMPC), dipalmitoylphosphatidylcholine (DPPC), and distearoylphosphatidylcholine (DSPC)), an ..cap alpha..-saturated, ..beta..-unsaturated lipid (1-palmitoyl-2-oleoylphosphatidylcholine (POPC)), and phosphatidylcholine from a natural source (egg yolk phosphatidylcholine (egg PC)) were utilized as host lipids. Lateral diffusion of the stearic acid spin-labels was only slightly affected by alkyl chain length at a given reduced temperature (T/sub r/) in the saturated host lipids but was significantly decreased in POPC at the same T/sub r/. Lateral diffusion in DMPC, POPC, and egg PC was quite similar at 37/sup 0/C. A strong correlation was noted between lateral diffusion constants and rotational mobility of (/sup 14/N)-16-doxylstearate. Vertical fluctuations were likewise only slightly influenced by alklyl chain length but were strongly diminished in POPC and egg PC relative to the saturated systems. This diminution of the 16:5 interaction was observed even under conditions where no differences were discernible by conventional EPR.

  14. Genome-wide analysis of interactions between ATP-dependent chromatin remodeling and histone modifications

    Directory of Open Access Journals (Sweden)

    Wang Jiang

    2009-07-01

    Full Text Available Abstract Background ATP-dependent chromatin remodeling and the covalent modification of histones play central roles in determining chromatin structure and function. Although several specific interactions between these two activities have been elaborated, the global landscape remains to be elucidated. Results In this paper, we have developed a computational method to generate the first genome-wide landscape of interactions between ATP-dependent chromatin remodeling and the covalent modification of histones in Saccharomyces cerevisiae. Our method succeeds in identifying known interactions and uncovers many previously unknown interactions between these two activities. Analysis of the genome-wide picture revealed that transcription-related modifications tend to interact with more chromatin remodelers. Our results also demonstrate that most chromatin remodeling-modification interactions act via interactions of remodelers with both histone-modifying enzymes and histone residues. We also found that the co-occurrence of both modification and remodeling has significantly different influences on multiple gene features (e.g. nucleosome occupancy compared with the presence of either one. Conclusion We gave the first genome-wide picture of ATP-dependent chromatin remodeling-histone modification interactions. We also revealed how these two activities work together to regulate chromatin structure and function. Our results suggest that distinct strategies for regulating chromatin activity are selectively employed by genes with different properties.

  15. Isospin effects of the Skyrme potential and the momentum dependent interaction at intermediate energy heavy ion collisions

    Institute of Scientific and Technical Information of China (English)

    GUO Wen-Jun; LIU Jian-Ye

    2008-01-01

    We improve the isospin dependent quantum molecular dynamical model by including isospin effects in the Skyrme potential and the momentum dependent interaction to obtain an isospin dependent Skyrme potential and an isospin dependent momentum interaction. We investigate the isospin effects of Skyrme potential and momentum dependent interaction on the isospin fractionation ratio and the dynamical mechanism in intermediate energy heavy ion collisions. It is found that the isospin dependent Skyrme potential and the isospin dependent momentum interaction produce some important isospin effects in the isospin fractionation ratio.

  16. Determination of interaction potentials of colloidal monolayers from the inversion of pair correlation functions: a two-dimensional predictor-corrector method.

    Science.gov (United States)

    Law, A D; Buzza, D M A

    2009-09-07

    The structure and stability of colloidal monolayers depend crucially on the effective pair potential u(r) between colloidal particles. In this paper, we develop a two-dimensional (2D) predictor-corrector method for extracting u(r) from the pair correlation function g(r) of dense colloidal monolayers. The method is based on an extension of the three-dimensional scheme of Rajagopalan and Rao [Phys. Rev. E 55, 4423 (1997)] to 2D by replacing the unknown bridge function B(r) with the hard-disk bridge function B(d)(r); the unknown hard-disk diameter d is then determined using an iterative scheme. We compare the accuracy of our predictor-corrector method to the conventional one-step inversion schemes of hypernetted chain closure (HNC) and Percus-Yevick (PY) closure. Specifically we benchmark all three schemes against g(r) data generated from Monte Carlo simulation for a range of 2D potentials: exponential decay, Stillinger-Hurd, Lennard-Jones, and Derjaguin-Landau-Verwey-Overbeek. We find that for all these potentials, the predictor-corrector method is at least as good as the most accurate one-step method for any given potential, and in most cases it is significantly better. In contrast the accuracy of the HNC and PY methods relative to each other depends on the potential studied. The proposed predictor-corrector scheme is therefore a robust and more accurate alternative to these conventional one-step inversion schemes.

  17. Investigation of humidity-dependent nanotribology behaviors of Si(1 0 0)/SiO{sub 2} pair moving from stick to slip

    Energy Technology Data Exchange (ETDEWEB)

    Yu Jiaxin, E-mail: yujiaxin119@yahoo.com.cn [Key Laboratory of Testing Technology for Manufacturing Process, Ministry of Education, Southwest University of Science and Technology, Mianyang 621010 (China); Chen Lei; Qian Linmao [Tribology Research Institute, National Traction Power Laboratory, Southwest Jiaotong University, Chengdu 610031 (China); Song Danlu; Cai Yong [Key Laboratory of Testing Technology for Manufacturing Process, Ministry of Education, Southwest University of Science and Technology, Mianyang 621010 (China)

    2013-01-15

    Highlights: Black-Right-Pointing-Pointer The effect of humidity on the motion behavior of Si(1 0 0)/SiO{sub 2} pair was clarified. Black-Right-Pointing-Pointer With increase in humidity, adhesion force increases slowly firstly, then sharply. Black-Right-Pointing-Pointer With increase in humidity, friction force increases sharply firstly, then slowly. Black-Right-Pointing-Pointer The wear degree of Si is relative to the physical state of absorbed water film. Black-Right-Pointing-Pointer The tribochemical reaction of Si(1 0 0) in humid air was verified by ToF-SIMS. - Abstract: With an atomic force microscopy, the humidity-dependent nanotribology behaviors of Si(1 0 0) against SiO{sub 2} microsphere were investigated while the relative movement translated from stick to slip. The relative humidity RH of air exhibits a strong effect on the motion behavior of Si(1 0 0)/SiO{sub 2} pair. With the increase in RH, relative movement of Si(1 0 0)/SiO{sub 2} pair is easier to keep into stick state, namely, the relative slip becomes more difficult to occur in a higher humidity range. The adhesion F{sub a} will increase with the increase in RH in the given humidity range. In the low RH range (<20%) where the adsorbed water layer forms the 'solid-like' structure, due to the absence of water meniscus, F{sub a} increases very slowly. However, in relative higher RH range (>20%), F{sub a} increases very sharply once 'liquid-like' adsorbed water layer forms, because it increases the capillary force. The initial friction forces F{sub t} of Si(1 0 0)/SiO{sub 2} pair also increase with the increase in RH in the given humidity range. However, different from F{sub a}, it increases sharply in the low RH range (<30%) and slightly in the higher RH range (>30%). During the cyclic friction process, under the higher RH, relative stable tangential force is easier to be observed at higher displacement amplitude, here, the relative movement usually keeps into stick state. With

  18. Orbital-dependent Electron-Hole Interaction in Graphene and Associated Multi-Layer Structures

    Science.gov (United States)

    Deng, Tianqi; Su, Haibin

    2015-11-01

    We develop an orbital-dependent potential to describe electron-hole interaction in materials with structural 2D character, i.e. quasi-2D materials. The modulated orbital-dependent potentials are also constructed with non-local screening, multi-layer screening, and finite gap due to the coupling with substrates. We apply the excitonic Hamiltonian in coordinate-space with developed effective electron-hole interacting potentials to compute excitons’ binding strength at M (π band) and Γ (σ band) points in graphene and its associated multi-layer forms. The orbital-dependent potential provides a range-separated property for regulating both long- and short-range interactions. This accounts for the existence of the resonant π exciton in single- and bi-layer graphenes. The remarkable strong electron-hole interaction in σ orbitals plays a decisive role in the existence of σ exciton in graphene stack at room temperature. The interplay between gap-opening and screening from substrates shed a light on the weak dependence of σ exciton binding energy on the thickness of graphene stacks. Moreover, the analysis of non-hydrogenic exciton spectrum in quasi-2D systems clearly demonstrates the remarkable comparable contribution of orbital dependent potential with respect to non-local screening process. The understanding of orbital-dependent potential developed in this work is potentially applicable for a wide range of materials with low dimension.

  19. Impact of land-use on carbon storage as dependent on soil texture: evidence from a desertified dryland using repeated paired sampling design.

    Science.gov (United States)

    Ye, Xuehua; Tang, Shuangli; Cornwell, William K; Gao, Shuqin; Huang, Zhenying; Dong, Ming; Cornelissen, Johannes H C

    2015-03-01

    Desertification resulting from land-use affects large dryland areas around the world, accompanied by carbon loss. However it has been difficult to interpret different land-use contributions to carbon pools owing to confounding factors related to climate, topography, soil texture and other original soil properties. To avoid such confounding effects, a unique systematic and extensive repeated design of paired sampling plots of different land-use types was adopted on Ordos Plateau, N China. The sampling enabled to quantify the effects of the predominant land-use types on carbon storage as dependent on soil texture, and to define the most promising land-use choices for carbon storage, both in grassland on sandy soil and in desert grassland on brown calcareous soil. The results showed that (1) desertification control should be an effective measure to improve the carbon sequestration in sandy grassland, and shrub planting should be better than grass planting; (2) development of man-made grassland should be a good choice to solve the contradictions of ecology and economy in desert grassland; (3) grassland on sandy soil is more vulnerable to soil degradation than desert grassland on brown calcareous soil. The results may be useful for the selection of land-use types, aiming at desertification prevention in drylands. Follow-up studies should directly investigate the role of soil texture on the carbon storage dynamic caused by land-use change. Copyright © 2014 Elsevier Ltd. All rights reserved.

  20. Affected-sib-pair mapping of a novel susceptibility gene to insulin-dependent diabetes mellitus (IDDM8) on chromosome 6q25-q27

    Energy Technology Data Exchange (ETDEWEB)

    Luo, D.F.; Bui, M.M.; Muir, A. [Univ. of Florida, Gainesville, FL (United States)] [and others

    1995-10-01

    Affected-sib-pair analyses were performed using 104 Caucasian families to map genes that predispose to insulin-dependent diabetes mellitus (IDDM). We have obtained linkage evidence for D6S446 (maximum lod score [MLS] = 2.8) and for D6S264 (MLS = 2.0) on 6q25q27. Together with a previously reported data set, linkage can be firmly established (MLS = 3.4 for D6S264), and the disease locus has been designated IDDM8. With analysis of independent families, we confirmed linkage evidence for the previously identified IDDM3 (15q) and DDM7 (2q). We also typed additional markers in the regions containing IDDM3, IDDM4, IDDM5, and IDDM8. Preliminary linkage evidence for a novel region on chromosome 4q (D4S1566) has been found in 47 Florida families (P < .03). We also found evidence of linkage for two regions previously identified as potential linkages in the Florida subset: D3S1303 on 3q (P < .04) and D7S486 on 7q (P < .03). We could not confirm linkage with eight other regions (D1S191, D1S412, D4S1604, D8S264, D8S556, D1OS193, D13S158, and D18S64) previously identified as potential linkages. 26 refs., 1 fig., 4 tabs.

  1. Single pairing spike-timing dependent plasticity in BiFeO3 memristors with a time window of 25ms to 125µs

    Directory of Open Access Journals (Sweden)

    Nan eDu

    2015-06-01

    Full Text Available Memristive devices are popular among neuromorphic engineers for their ability to emulate forms of spike-driven synaptic plasticity by applying specific voltage and current waveforms at their two terminals. In this paper, we investigate spike-timing dependent plasticity (STDP with a single pairing of one presynaptic voltage spike and one postsynaptic voltage spike in a BiFeO3 memristive device. In most memristive materials the learning window is primarily a function of the material characteristics and not of the applied waveform. In contrast, we show that the analog resistive switching of the developed artificial synapses allows to adjust the learning time constant of the STDP function from 25ms to 125μs via the duration of applied voltage spikes. Also, as the induced weight change may degrade, we investigate the remanence of the resistance change for several hours after analog resistive switching, thus emulating the processes expected in biological synapses. As the power consumption is a major constraint in neuromorphic circuits, we show methods to reduce the consumed energy per setting pulse to only 4.5 pJ in the developed artificial synapses.

  2. Computational studies of ion pairing. 8. Ion pairing of tetraalkylammonium ions to nitrosobenzene and benzaldehyde redox species. A general binding motif for the interaction of tetraalkylammonium ions with benzenoid species.

    Science.gov (United States)

    Fry, Albert J

    2013-06-01

    Very little data is available on the detailed structures of ion pairs in solution, since few general experimental methods are available for obtaining such information. For this reason, computational methods have emerged as the method of choice for determining the structures of organic ion pairs in solution. The present study examines the ion pairs between a series of tetraalkylammonium ions and several redox forms of nitrosobenzene and a series of substituted benzaldehydes. The structures, though previously unexpected, are chemically reasonable and fit into a previous pattern of ion pairing described in previous publications in this series. To date in these studies, a total of 73 ion pairs and related species have in fact been identified having exactly the same unusual orientation of the tetraalkylammonium component with respect to the donor species. The results are pertinent to topics of general current interest, including self-assembly, molecular recognition, and supramolecular assembly.

  3. Relativistic symmetry of position-dependent mass particles in a Coulomb field including tensor interaction

    Institute of Scientific and Technical Information of China (English)

    M.Eshghi; M.Hamzavi; S.M.Ikhdair

    2013-01-01

    The spatially-dependent mass Dirac equation is solved exactly for attractive scalar and repulsive vector Coulomb potentials,including a tensor interaction under the spin and pseudospin symmetric limits.Closed forms of the energy eigenvalue equation and wave functions are obtained for arbitrary spin-orbit quantum number κ.Some numerical results are also given,and the effect of tensor interaction on the bound states is presented.It is shown that tensor interaction removes the degeneracy between two states in the spin doublets.We also investigate the effects of the spatially-dependent mass on the bound states under spin symmetric limit conditions in the absence of tensor interaction.

  4. Half lives of spherical proton emitters using density dependent M3Y interaction

    CERN Document Server

    Chowdhury, P R; Basu, D N

    2005-01-01

    The proton radioactivity lifetimes of spherical proton emitters from the ground and the isomeric states are calculated using the microscopic nucleon-nucleus interaction potentials. The daughter nuclei density distributions are folded with a realistic density dependent M3Y effective interaction supplemented by a zero-range pseudo-potential. The density dependence parameters of the interaction are extracted from the nuclear matter calculations. The saturation energy per nucleon used for nuclear matter calculations is determined from the co-efficient of the volume term of Bethe-Weizsacker mass formula which is evaluated by fitting the recent experimental and estimated atomic mass excesses from Audi-Wapstra-Thibault atomic mass table by minimizing the mean square deviation. The quantum mechanical tunneling probability is calculated within the WKB approximation. Spherical charge distributions are used for calculating the Coulomb interaction potentials. These calculations provide good estimates for the observed pro...

  5. Competitive effects of nuclear deformation and density dependence of $\\Lambda\\!N$ interaction

    CERN Document Server

    Isaka, M; Rijken, T h A

    2016-01-01

    Competitive effects of nuclear deformation and density dependence of $\\Lambda\\!N$-interaction in $\\Lambda$ binding energies $B_\\Lambda$ of hypernuclei are studied systematically on the basis of the baryon-baryon interaction model ESC including many-body effects. By using the $\\Lambda\\!N$ G-matrix interaction derived from ESC, we perform microscopic calculations of $B_\\Lambda$ in $\\Lambda$ hypernuclei within the framework of the antisymmetrized molecular dynamics under the averaged-density approximation. The calculated values of $B_\\Lambda$ reproduce experimental data within a few hundred keV in the wide mass regions from 9 to 51. It is found that competitive effects of nuclear deformation and density dependence of $\\Lambda\\!N$-interaction work decisively for fine tuning of $B_\\Lambda$ values.

  6. RGD-Dependent Epithelial Cell-Matrix Interactions in the Human Intestinal Crypt

    Directory of Open Access Journals (Sweden)

    Yannick D. Benoit

    2012-01-01

    Full Text Available Interactions between the extracellular matrix (ECM and integrin receptors trigger structural and functional bonds between the cell microenvironment and the cytoskeleton. Such connections are essential for adhesion structure integrity and are key players in regulating transduction of specific intracellular signals, which in turn regulate the organization of the cell microenvironment and, consequently, cell function. The RGD peptide-dependent integrins represent a key subgroup of ECM receptors involved in the maintenance of epithelial homeostasis. Here we review recent findings on RGD-dependent ECM-integrin interactions and their roles in human intestinal epithelial crypt cells.

  7. Employing an interaction picture to remove artificial correlations in multilayer multiconfiguration time-dependent Hartree simulations

    Science.gov (United States)

    Wang, Haobin; Thoss, Michael

    2016-10-01

    The multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) method is implemented in the interaction picture to allow a more effective description of correlation effects. It is shown that the artificial correlation present in the original Schrödinger picture can be removed with an appropriate choice of the zeroth-order Hamiltonian. Thereby, operators in the interaction picture are obtained through time-dependent unitary transformations, which have negligible computational cost compared with other parts of the ML-MCTDH algorithm. The efficiency of the method is demonstrated by application to a model of vibrationally coupled charge transport in molecular junctions.

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

    Science.gov (United States)

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

    2016-04-21

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

  9. LC-MS/MS determination and interaction of the main components from the traditional Chinese drug pair Danshen-Sanqi based on rat intestinal absorption.

    Science.gov (United States)

    Huang, Juan; Zhang, Jing; Bai, Junqi; Xu, Wen; Wu, Dinghong; Qiu, Xiaohui

    2016-12-01

    The Chinese drug pair Danshen (Salvia miltiorrhiza)-Sanqi (Panax ginseng) has been widely used for centuries treating various cardiovascular disorders, among which salvianlic acid B (SAB), ginsenoside Rg1 (GRg1 ), ginsenoside Rb1 (GRb1 ) and notoginsenoside R1 (NGR1 ) were identified as the major components. The present study focused on the interaction between these components based on investigating their intestinal absorption using the Ussing chamber technique. The concentrations of SAB, GRg1 , GRb1 and NGR1 in the intestinal perfusate were determined by LC-MS/MS method, followed by Q (accumulative quantity) and Papp (apparent permeability). The results showed that all these four main components displayed very low permeabilities, which implied their poor absorption in the rat intestine. The intestinal absorption level of SAB displayed regioselectivity: duodenum absorption of GRg1 and GRb1 in the different segments. The Q and Papp values of the four main components were obviously increased in jejunum when co-administrating Danshen extract with Sanqi extract. In conclusion, compatibility of Danshen and Sanqi could remarkably improve the intestinal absorption level of the main components in the pair. To some extent, this might explain the nature of the compatibility mechanisms of composite formulae in TCMs.

  10. Isospin Momentum-Dependent Interaction and Its Role on the Isospin Fractionation Ratio in Intermediate Energy Heavy Ion Collisions

    Institute of Scientific and Technical Information of China (English)

    LIU Jian-Ye; GUO Wen-Jun; XING Yong-Zhong; LEE Xi-Guo

    2005-01-01

    @@ We investigate the role of isospin momentum-dependent interaction on the isospin fractionation ratio and its dynamical mechanism in the intermediate energy heavy ion collisions, by inserting an isospin degree of freedom into the momentum-dependent interaction to obtain an isospin momentum-dependent interaction given in a form practically usable in the isospin-dependent quantum molecular dynamics model It is found that the isospin momentum-dependent interaction brings an important isospin effect into the isospin fractionation ratio. In particular, the isospin momentum-dependent interaction reduces obviously the reduction of isospin fractionation ratio. Thus the isospin dependence of momentum-dependent interaction is thus important for studying accurately the equation of state of isospin asymmetry nuclear matter.

  11. WR 120bb and WR 120bc: a pair of WN9h stars with possibly interacting circumstellar shells

    CERN Document Server

    Burgemeister, Sonja; Stringfellow, Guy S; Kniazev, Alexei Y; Todt, Helge; Hamann, Wolf-Rainer; 10.1093/mnras/sts588

    2012-01-01

    Two optically obscured Wolf-Rayet (WR) stars have been recently discovered by means of their infrared (IR) circumstellar shells, which show signatures of interaction with each other. Following the systematics of the WR star catalogues, these stars obtain the names WR\\,120bb and WR\\,120bc. In this paper, we present and analyse new near-IR, $J$, $H$, and $K$-band, spectra using the Potsdam Wolf-Rayet (PoWR) model atmosphere code. For that purpose, the atomic data base of the code has been extended in order to include all significant lines in the near-IR bands. The spectra of both stars are classified as WN9h. As their spectra are very similar the parameters that we obtained by the spectral analyses hardly differ. Despite their late spectral subtype, we found relatively high stellar temperatures of 63 kK. The wind composition is dominated by helium, while hydrogen is depleted to 25 per cent by mass. Because of their location in the Scutum-Centaurus arm, WR\\,120bb and WR\\,120bc appear highly reddened, $A_{K_{\\rm ...

  12. Bipyridinium Polymers That Dock Tetrathiafulvalene Guests in Water Driven by Donor-Acceptor and Ion Pair Interactions.

    Science.gov (United States)

    Zhang, Yun-Chang; Qin, Ying; Wang, Hui; Zhang, Dan-Wei; Yang, Guanyu; Li, Zhan-Ting

    2016-04-05

    Two water-soluble para-xylylene-connected 4,4'-bipyridinium (BIPY(2+) ) polymers have been prepared. UV-Vis absorption, (1) H NMR spectroscopy, and cyclic voltammetry experiments support that in water the BIPY(2+) units in the polymers form stable 1:1 charge-transfer complexes with tetrathiafulvalene (TTF) guests that bear two or four carboxylate groups. These charge-transfer complexes are stabilized by the donor-acceptor interaction between electron-rich TTF and electron-deficient BIPY(2+) units and electrostatic attraction between the dicationic BIPY(2+) units and the anionic carboxylate groups attached to the TTF core. On the basis of UV-Vis experiments, a lower limit to the apparent association constant of the TTF⋅BIPY(2+) complexes of the mixtures, 1.8×10(6)  m(-1) , has been estimated in water. Control experiments reveal substantially reduced binding ability of the neutral TTF di- and tetracarboxylic acids to the BIPY(2+) molecules and polymers. Moreover, the stability of the charge-transfer complexes formed by the BIPY(2+) units of the polymers are considerably higher than that of the complexes formed between two monomeric BIPY(2+) controls and the dicarboxylate-TTF donor; this has been attributed to the mutually strengthened electron-deficient nature of the BIPY(2+) units of the polymers due to the electron-withdrawing effect of the BIPY(2+) units. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Study of Pair and many-body interactions in rare-gas halide atom clusters using negative ion zero electron kinetic energy (ZEKE) and threshold photodetachment spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Yourshaw, Ivan [Univ. of California, Berkeley, CA (United States)

    1998-07-09

    The diatomic halogen atom-rare gas diatomic complexes KrBr-, XeBr-, and KrCl- are studied in this work by zero electron kinetic energy (ZEKE) spectroscopy in order to characterize the weak intermolecular diatomic potentials of these species. Also, the ZEKE and threshold photodetachment spectra of the polyatomic clusters ArnBr- (n = 2-9) and ArnI- (n = 2-19) are studied to obtain information about the non-additive effects on the interactions among the atoms. This work is part of an ongoing effort to characterize the pair and many-body potentials of the complete series of rare gas halide clusters. In these studies we obtain information about both the anionic and neutral clusters.

  14. Photon and π0 pairs production in proton-nucleus and deuteron-nucleus interactions. Results of experiments on internal beams of the Nuclotron

    Directory of Open Access Journals (Sweden)

    Abraamyan Khachik

    2017-01-01

    Full Text Available The results of experiments on photon and π0 pairs production in interactions of 5.5 GeV/c protons, 2.75 and 3.83 GeV/c per nucleon deuterons with carbon and copper nuclei are presented. As previously reported (see. [1] and references therein, along with π0 and η mesons, a resonance structure in the invariant mass spectrum of two photons at Mγγ = 360 ± 7 ± 9 MeV is observed in the reaction dC → γ + γ + X at momentum 2.75 GeV/c per nucleon. Here are some results of testing the signal and results of statistical analysis of the experimental data which allow to explain the lack of appearance of the signal in other experiments [2, 3] and make predictions for possible appearances of the signal in upcoming experiments.

  15. Determination of nucleosides and nucleotides in baby foods by hydrophilic interaction chromatography coupled to tandem mass spectrometry in the presence of hydrophilic ion-pairing reagents.

    Science.gov (United States)

    Mateos-Vivas, María; Rodríguez-Gonzalo, Encarnación; Domínguez-Álvarez, Javier; García-Gómez, Diego; Carabias-Martínez, Rita

    2016-11-15

    In this work we propose a rapid and efficient method for the joint determination of nucleosides and nucleotides in dairy and non-dairy baby foods based on hydrophilic interaction chromatography coupled to tandem mass spectrometry in the presence of diethylammonium (DEA) as a hydrophilic ion-pairing reagent (IP-HILIC-MS/MS). Sample treatment of the baby food included dilution with water and centrifugal ultrafiltration (CUF) with an additional washing step that notably improved the global performance of the process. Later dilution of the extract with acetonitrile allowed adequate separation in the HILIC system. With the proposed treatment, we obtained extraction recoveries higher than 80% and, additionally, no matrix effects were observed. The CUF-IP-HILIC-MS/MS method was validated according to the 2002/657/EC decision and was used for the quantification of nucleotides and nucleosides in sixteen samples of commercial baby foods. Copyright © 2016 Elsevier Ltd. All rights reserved.

  16. Optimized unlike-pair interactions for water-carbon dioxide mixtures described by the SPC/E and EPM2 models.

    Science.gov (United States)

    Vlcek, Lukas; Chialvo, Ariel A; Cole, David R

    2011-07-14

    The unlike-pair interaction parameters for the SPC/E-EPM2 models have been optimized to reproduce the mutual solubility of water and carbon dioxide at the conditions of liquid-supercritical fluid phase equilibria. An efficient global optimization of the parameters is achieved through an implementation of the coupling parameter approach, adapted to phase equilibria calculations in the Gibbs ensemble, that explicitly corrects for the overpolarization of the SPC/E water molecule in the nonpolar CO(2) environments. The resulting H(2)O-CO(2) force field accurately reproduces the available experimental solubilities at the two fluid phases in equilibria as well as the corresponding species tracer diffusion coefficients. © 2011 American Chemical Society

  17. Time-dependent pair cascades in magnetospheres of neutron stars I. Dynamics of the polar cap cascade with no particle supply from the neutron star surface

    CERN Document Server

    Timokhin, A N

    2010-01-01

    I argue that the problem of electromagnetically driven electron-positron cascades in magnetospheres of neutron stars must be addressed starting from first principles. I describe a general numerical algorithm for doing self-consistent kinetic simulations of electron-positron cascades -- wherein particle acceleration, pair creation and screening of the electric field are calculated simultaneously -- and apply it to model the Ruderman and Sutherland (1975) cascade in one dimension. I find that pair creation is quite regular and quasi-periodic. In each cycle a blob of ultrarelativistic electron-positron plasma is generated, it propagates into the magnetosphere leaving a tail of less relativistic plasma behind, and the next discharge occurs when this mildly relativistic plasma leaves the polar cap. A short burst of pair formation is followed by a longer quiet phase when accelerating electric field is screened and no pairs are produced. Some of freshly injected electron-positrons pairs get trapped in plasma oscilla...

  18. Elucidating pH-dependent collagen triple helix formation through interstrand hydroxyproline-glutamic acid interactions.

    Science.gov (United States)

    Chen, Liwei; Cai, Shuting; Lim, Jaehong; Lee, Su Seong; Lee, Song-Gil

    2015-02-09

    Here, we describe systematic explorations into the molecular basis underlying hydroxyproline-mediated interstrand interactions on the triple-helical stability of collagen-mimetic peptides containing glutamic acid residues. Our studies reveal that the triple-helical stability of these peptides relies on the existence of interstrand interactions between hydroxyprolines and glutamic acid residues that are pH dependent. These unique interactions have been used to engineer collagen peptides that form triple helices on demand through pH control. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Morphological evolution of coexisting amphipod species pairs from sulfidic caves suggests competitive interactions and character displacement, but no environmental filtering and convergence.

    Science.gov (United States)

    Fišer, Cene; Luštrik, Roman; Sarbu, Serban; Flot, Jean-François; Trontelj, Peter

    2015-01-01

    Phenotypically similar species coexisting in extreme environments like sulfidic water are subject to two opposing eco-evolutionary processes: those favoring similarity of environment-specific traits, and those promoting differences of traits related to resource use. The former group of processes includes ecological filtering and convergent or parallel evolution, the latter competitive exclusion, character displacement and divergent evolution. We used a unique eco-evolutionary study system composed of two independent pairs of coexisting amphipod species (genus Niphargus) from the sulfidic caves Movile in Romania and Frasassi in Italy to study the relative contribution and interaction of both processes. We looked at the shape of the multifunctional ventral channel as a trait ostensibly related to oxygenation and sulfide detoxification, and at body size as a resource-related trait. Phylogenetic analysis suggests that the sulfidic caves were colonized separately by ancestors of each species. Species within pairs were more dissimilar in their morphology than expected according to a null model based on regional species pool. This might indicate competitive interactions shaping the morphology of these amphipod species. Moreover, our results suggest that the shape of the ventral channel is not subject to long-term convergent selection or to the process of environmental filtering, and as such probably does not play a role in sulfide tolerance. Nevertheless, the ancestral conditions reconstructed using the comparative method tended to be more similar than null-model expectations. This shift in patterns may reflect a temporal hierarchy of eco-evolutionary processes, in which initial environmental filtering became later on superseded by character displacement or other competition-driven divergent evolutionary processes.

  20. The importance of species identity and interactions for multifunctionality depends on how ecosystem functions are valued.

    Science.gov (United States)

    Slade, Eleanor M; Kirwan, Laura; Bell, Thomas; Philipson, Christopher D; Lewis, Owen T; Roslin, Tomas

    2017-10-01

    overall multifunctionality depended on the weight given to individual functions. Optimal multifunctionality was context-dependent, and sensitive to the valuation of services. This combination of methodological approaches allowed us to resolve the interactions and indirect effects among species that drive ecosystem functioning, revealing how multiple aspects of biodiversity can simultaneously drive ecosystem functioning. Our results highlight the importance of a multifunctionality perspective for a complete assessment of species' functional contributions. © 2017 by the Ecological Society of America.

  1. Angular Dependence of Ionization by Circularly Polarized Light Calculated with Time-Dependent Configuration Interaction with an Absorbing Potential.

    Science.gov (United States)

    Hoerner, Paul; Schlegel, H Bernhard

    2017-02-16

    The angular dependence of ionization by linear and circularly polarized light has been examined for N2, NH3, H2O, CO2, CH2O, pyrazine, methyloxirane, and vinyloxirane. Time-dependent configuration interaction with single excitations and a complex absorbing potential was used to simulate ionization by a seven cycle 800 nm cosine squared pulse with intensities ranging from 0.56 × 10(14) to 5.05 × 10(14) W cm(-2). The shapes of the ionization yield for linearly polarized light can be understood primarily in terms of the nodal structure of the highest occupied orbitals. Depending on the orbital energies, ionization from lower-lying orbitals may also make significant contributions to the shapes. The shapes of the ionization yield for circularly polarized light can be readily explained in terms of the shapes for linearly polarized light. Averaging the results for linear polarization over orientations perpendicular to the direction of propagation yields shapes that are in very good agreement with direct calculations of the ionization yield by circularly polarized light.

  2. Chemical Potential Dependence of the Dressed-Quark Propagator from an Effective Quark-Quark Interaction

    Institute of Scientific and Technical Information of China (English)

    ZONG Hong-Shi; PING Jia-Lun; SUN Wei-Min; CHANG Chao-Hsi; WANG Fan

    2002-01-01

    We exhibit a method for obtaining the low chemical potential dependence of the dressed quark propagatorfrom an effective quark-quark interaction model. Within this approach we explore the chemical potential dependenceof the dressed-quark propagator, which provides a means of determining the behavior of the chiral and deconfinementorder parameters. A comparison with the results of previous researches is given.

  3. Humans as an animal model? : studies on cue interaction, occasion setting, and context dependency

    NARCIS (Netherlands)

    Dibbets, Pauline

    2002-01-01

    The objective of the present thesis was to study human learning behaviour and to compare the results with those from animal learning studies. Three topics originating from animal learning research were examined: cue interaction, occasion setting, and context dependency. A series of experiments was f

  4. Influence of dipolar interactions on the angular-dependent coercivity of nickel nanocylinders

    Science.gov (United States)

    Bender, P.; Krämer, F.; Tschöpe, A.; Birringer, R.

    2015-04-01

    In this study the influence of dipolar interactions on the orientation-dependent magnetization behavior of an ensemble of single-domain nickel nanorods was investigated. The rods were synthesized by electrodeposition of nickel into porous alumina templates. Some of the rods were released from the oxide and embedded in gelatine hydrogels (ferrogel) at a sufficiently large average interparticle distance to suppress dipolar interactions. By comparing the orientation-dependent hystereses of the two ensembles in the template and the gel-matrix it could be shown that the dipolar interactions in the template considerably alter the functional form of the angular-dependent coercivity. Analysis of the magnetization curves for an angle of 60° between the rod-axes and the field revealed a significantly reduced coercivity of the template compared to the ferrogel, which could be directly attributed to a stray field induced magnetization reversal of a steadily increasing number of rods with increasing field strength. The magnetization curve of the template could be approximated by a weighted linear superposition of the hysteresis branches of the ferrogel. The magnetization reversal process of the rods was investigated by analyzing the angular-dependent coercivity of the non-interacting nanorods. Comparison of the functional form with analytical models and micromagnetic simulations emphasized the assumption of a localized magnetization reversal. Additionally, it could be shown that the nucleation field of rods with diameters in the range 18-29 nm tends to increase with increasing diameter.

  5. Wave-Vector Dependence of the Jahn-Teller Interactions in TmVO4

    DEFF Research Database (Denmark)

    Kjems, Jørgen; Hayes, W.; Smith, S. H.

    1975-01-01

    The resonant Jahn-Teller coupling of the B2g acoustic phonon and the Zeeman-split ground doublet in TmVO4 has been studied by inelastic neutron scattering. Tuning of the magnetic field provides a means for investigating the wave-vector dependence of the interactions. We find that the coupling is ...

  6. Temperature-dependent interactions between juvenile steelhead and Sacramento pikeminnow in laboratory streams

    Science.gov (United States)

    Carl D. Reese; Bret C. Harvey

    2002-01-01

    Abstract - We examined the temperature dependence of interactions between juvenile steelhead 'Oncorhynchus mykiss' and juvenile Sacramento pikeminnow 'Ptychocheilus grandis' in laboratory streams. Growth of dominant steelhead in water 20-23 degree C was reduced by more than 50% in trials with Sacramento pikeminnow compared with trials with steelhead...

  7. Interactive and Symbolic Data Dependence AnalysisBased on Ranges of Expressions

    Institute of Scientific and Technical Information of China (English)

    杨博; 郑丰宙; 王鼎兴; 郑纬民

    2002-01-01

    Traditional data dependence testing algorithms have become very accurate and efficient for simple subscript expressions, but they cannot handle symbolic expressions because of the complexity of data-flow and lack of the semantic information of variables in programs. In this paper, a range-based testing and query approach, called DDTQ, is proposed to eliminate data dependence between array references with symbolic subscripts. DDTQ firstly extracts data dependence information from the symbolic subscripts, a testing algorithm is then used to disprove the dependence based on the ranges of expressions. The assumed dependence that cannot be handled by the disprover will be converted into simple questions by a question engine so that the compiler can solve them by user interaction in a friendly way. The experiment on perfect benchmarks indicates that DDTQ is effective in improving the parallelizing capability of the compiler.

  8. The effect of the pairing interaction on the energies of isobar analogue resonances in {sup 112-124}Sb and isospin admixture in {sup 100-124}Sn isotopes

    Energy Technology Data Exchange (ETDEWEB)

    Babacan, Tahsin [Department of Physics, Celal Bayar University, Manisa (Turkey); Salamov, Djavad [Department of Physics, Anadolu University, Eskisehir (Turkey); Kuecuekbursa, Atalay [Department of Physics, Dumlupinar University, Kuetahya (Turkey); Babacan, Halil [Department of Physics, Celal Bayar University, Manisa (Turkey); Maras, Ismail [Department of Physics, Celal Bayar University, Manisa (Turkey); Aygoer, Hasan A [Department of Physics, Celal Bayar University, Manisa (Turkey); Uenal, Arslan [Department of Physics, Dumlupinar University, Kuetahya (Turkey)

    2004-06-01

    In the present study, the effect of the pairing interaction and the isovector correlation between nucleons on the properties of the isobar analogue resonances (IAR) in {sup 112-124}Sb isotopes and the isospin admixture in {sup 100-124}Sn isotopes is investigated within the framework of the proton-neutron quasi-particle random phase approximation (pnQRPA). The form of the interaction strength parameter is related to the shell-model potential by restoring the isotopic invariance of the nuclear part of the total Hamiltonian. In this respect, the isospin admixtures in the {sup 100-124}Sn isotopes are calculated, and the dependence of the differential cross section and the volume integral J{sub F} for the Sn({sup 3}He,t)Sb reactions at E({sup 3}He) =200 MeV occurring by the excitation of IAR on mass number A is examined. Our results show that the calculated value for the isospin mixing in the {sup 100}Sn isotope is in good agreement with Colo et al's estimates (4-5%), and the obtained values for the volume integral change within the error range of the value reported by Fujiwara et al (53 {+-} 5 MeV fm{sup 3}). Moreover, it is concluded that although the differential cross section of the isobar analogue resonance for the ({sup 3}He,t) reactions is not sensitive to pairing correlations between nucleons, a considerable effect on the isospin admixtures in N {approx} Z isotopes can be seen with the presence of these correlations.

  9. Migration of helium-pair in metals

    Energy Technology Data Exchange (ETDEWEB)

    Cao, J.L.; Geng, W.T., E-mail: geng@ustb.edu.cn

    2016-09-15

    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 He−He interactions with strength-versus-distance forms resembling chemical bonds and can be described with Morse potentials.

  10. Effects of symmetry energy and momentum dependent interaction on low-energy reaction mechanisms

    CERN Document Server

    Zheng, H; Baran, V; Burrello, S

    2015-01-01

    We study the dipole response associated with the Pygmy Dipole Resonance (PDR) and the Isovector Giant Dipole Resonance (IVGDR), in connection with specific properties of the nuclear effective interaction (symmetry energy and momentum dependence), in the neutron-rich systems $^{68}$Ni, $^{132}$Sn and $^{208}$Pb. We perform our investigation within a microscopic transport model based on the Landau-Vlasov kinetic equation. We observe that the peak energies of PDR and IVGDR are shifted to higher values when employing momentum dependent interactions, with respect to the results obtained neglecting momentum dependence. The calculated energies are close to the experimental values and similar to the results obtained in Hartree-Fock (HF) with Random Phase Approximation (RPA) calculations.

  11. Effects of symmetry energy and momentum dependent interaction on low-energy reaction mechanisms

    Directory of Open Access Journals (Sweden)

    Zheng H.

    2016-01-01

    Full Text Available We study the dipole response associated with the Pygmy Dipole Resonance (PDR and the Isovector Giant Dipole Resonance (IVGDR, in connection with specific properties of the nuclear effective interaction (symmetry energy and momentum dependence, in the neutron-rich systems 68Ni, 132Sn and 208Pb. We perform our investigation within a microscopic transport model based on the Landau-Vlasov kinetic equation.We observe that the peak energies of PDR and IVGDR are shifted to higher values when employing momentum dependent interactions, with respect to the results obtained neglecting momentum dependence. The calculated energies are close to the experimental values and similar to the results obtained in Hartree-Fock (HF with Random Phase Approximation (RPA calculations.

  12. Mapping of protein-protein interactions within the DNA-dependent protein kinase complex.

    Science.gov (United States)

    Gell, D; Jackson, S P

    1999-01-01

    In mammalian cells, the Ku and DNA-dependent protein kinase catalytic subunit (DNA-PKcs) proteins are required for the correct and efficient repair of DNA double-strand breaks. Ku comprises two tightly-associated subunits of approximately 69 and approximately 83 kDa, which are termed Ku70 and Ku80 (or Ku86), respectively. Previously, a number of regions of both Ku subunits have been demonstrated to be involved in their interaction, but the molecular mechanism of this interaction remains unknown. We have identified a region in Ku70 (amino acid residues 449-578) and a region in Ku80 (residues 439-592) that participate in Ku subunit interaction. Sequence analysis reveals that these interaction regions share sequence homology and suggests that the Ku subunits are structurally related. On binding to a DNA double-strand break, Ku is able to interact with DNA-PKcs, but how this interaction is mediated has not been defined. We show that the extreme C-terminus of Ku80, specifically the final 12 amino acid residues, mediates a highly specific interaction with DNA-PKcs. Strikingly, these residues appear to be conserved only in Ku80 sequences from vertebrate organisms. These data suggest that Ku has evolved to become part of the DNA-PK holo-enzyme by acquisition of a protein-protein interaction motif at the C-terminus of Ku80. PMID:10446239

  13. A classical description of relaxation of interacting pairs of unlike spins: Extension to T1 ϱ, T2, and T1 ϱoff, including contact interactions

    Science.gov (United States)

    Konig, Seymour H.

    A novel derivation of the equations that describe the spin-lattice magnetic relaxation of nuclear spin moments, in liquids, resulting from magnetic dipolar interactions with neighboring paramagnetic ions, the Solomon-Bloembergen-Morgan equations was previously presented (S. H. Koenig, J. Magn. Reson.31, 1 (1978)). The derivation involves a computation of the dissipative energy flow from the nuclear spins to the lattice rather than a computation of the lattice-produced fluctuations of the local field at the nuclear spins. Two advantages accrue: (1) the spectral densities that enter into the relaxation expressions can be directly related to well-defined absorption transitions and relaxation processes of the paramagnetic ions, clarifying the physical processes that produce relaxation, and (2) the derivation can be readily generalized to paramagnetic ions with arbitrary spin Hamiltonian, and to deviations of their susceptibility from Curie law behavior. The derivation is extended to include relaxation in liquids in the rotating frame: the on resonance T1 ϱ which reduces to T2 for small amplitude radiofrequency fields; and the off resonance T1 ϱoff, which reduces to T1. The results, which are given for contact as well as dipolar interactions, also describe relaxation of 13C and 15N nuclei by protons under conditions of proton-decoupling, a situation becoming increasingly important in the study of biological macromolecules by high-resolution NMR spectroscopy.

  14. BioC-compatible full-text passage detection for protein-protein interactions using extended dependency graph.

    Science.gov (United States)

    Peng, Yifan; Arighi, Cecilia; Wu, Cathy H; Vijay-Shanker, K

    2016-01-01

    There has been a large growth in the number of biomedical publications that report experimental results. Many of these results concern detection of protein-protein interactions (PPI). In BioCreative V, we participated in the BioC task and developed a PPI system to detect text passages with PPIs in the full-text articles. By adopting the BioC format, the output of the system can be seamlessly added to the biocuration pipeline with little effort required for the system integration. A distinctive feature of our PPI system is that it utilizes extended dependency graph, an intermediate level of representation that attempts to abstract away syntactic variations in text. As a result, we are able to use only a limited set of rules to extract PPI pairs in the sentences, and additional rules to detect additional passages for PPI pairs. For evaluation, we used the 95 articles that were provided for the BioC annotation task. We retrieved the unique PPIs from the BioGRID database for these articles and show that our system achieves a recall of 83.5%. In order to evaluate the detection of passages with PPIs, we further annotated Abstract and Results sections of 20 documents from the dataset and show that an f-value of 80.5% was obtained. To evaluate the generalizability of the system, we also conducted experiments on AIMed, a well-known PPI corpus. We achieved an f-value of 76.1% for sentence detection and an f-value of 64.7% for unique PPI detection.Database URL: http://proteininformationresource.org/iprolink/corpora.

  15. Stereo pairs in Astrophysics

    Science.gov (United States)

    Vogt, Frédéric; Wagner, Alexander Y.

    2012-01-01

    Stereoscopic visualization is seldom used in Astrophysical publications and presentations compared to other scientific fields, e.g., Biochemistry, where it has been recognized as a valuable tool for decades. We put forth the view that stereo pairs can be a useful tool for the Astrophysics community in communicating a truer representation of astrophysical data. Here, we review the main theoretical aspects of stereoscopy, and present a tutorial to easily create stereo pairs using Python. We then describe how stereo pairs provide a way to incorporate 3D data in 2D publications of standard journals. We illustrate the use of stereo pairs with one conceptual and two Astrophysical science examples: an integral field spectroscopy study of a supernova remnant, and numerical simulations of a relativistic AGN jet. We also use these examples to make the case that stereo pairs are not merely an ostentatious way to present data, but an enhancement in the communication of scientific results in publications because they provide the reader with a realistic view of multi-dimensional data, be it of observational or theoretical nature. In recognition of the ongoing 3D expansion in the commercial sector, we advocate an increased use of stereo pairs in Astrophysics publications and presentations as a first step towards new interactive and multi-dimensional publication methods.

  16. Alteration of intersubunit acid–base pair interactions at the quasi-threefold axis of symmetry of Cucumber mosaic virus disrupts aphid vector transmission

    Energy Technology Data Exchange (ETDEWEB)

    Bricault, Christine A. [Department of Plant Pathology and Plant-Microbe Biology, 334 Plant Science Building, Cornell University, Ithaca, NY 14850 (United States); Perry, Keith L., E-mail: KLP3@cornell.edu [Department of Plant Pathology and Plant-Microbe Biology, 334 Plant Science Building, Cornell University, Ithaca, NY 14850 (United States)

    2013-06-05

    In the atomic model of Cucumber mosaic virus (CMV), six amino acid residues form stabilizing salt bridges between subunits of the asymmetric unit at the quasi-threefold axis of symmetry. To evaluate the effects of these positions on virion stability and aphid vector transmissibility, six charged amino acid residues were individually mutated to alanine. All of the six engineered viruses were viable and exhibited near wild type levels of virion stability in the presence of urea. Aphid vector transmissibility was nearly or completely eliminated in the case of four of the mutants; two mutants demonstrated intermediate aphid transmissibility. For the majority of the engineered mutants, second-site mutations were observed following aphid transmission and/or mechanical passaging, and one restored transmission rates to that of the wild type. CMV capsids tolerate disruption of acid–base pairing interactions at the quasi-threefold axis of symmetry, but these interactions are essential for maintaining aphid vector transmissibility. - Highlights: ► Amino acids between structural subunits of Cucumber mosaic virus affect vector transmission. ► Mutant structural stability was retained, while aphid vector transmissibility was disrupted. ► Spontaneous, second-site mutations restored aphid vector transmissibility.

  17. The Wnt and Delta-Notch signalling pathways interact to direct pair-rule gene expression via caudal during segment addition in the spider Parasteatoda tepidariorum.

    Science.gov (United States)

    Schönauer, Anna; Paese, Christian L B; Hilbrant, Maarten; Leite, Daniel J; Schwager, Evelyn E; Feitosa, Natália Martins; Eibner, Cornelius; Damen, Wim G M; McGregor, Alistair P

    2016-07-01

    In short-germ arthropods, posterior segments are added sequentially from a segment addition zone (SAZ) during embryogenesis. Studies in spiders such as Parasteatoda tepidariorum have provided insights into the gene regulatory network (GRN) underlying segment addition, and revealed that Wnt8 is required for dynamic Delta (Dl) expression associated with the formation of new segments. However, it remains unclear how these pathways interact during SAZ formation and segment addition. Here, we show that Delta-Notch signalling is required for Wnt8 expression in posterior SAZ cells, but represses the expression of this Wnt gene in anterior SAZ cells. We also found that these two signalling pathways are required for the expression of the spider orthologues of even-skipped (eve) and runt-1 (run-1), at least in part via caudal (cad). Moreover, it appears that dynamic expression of eve in this spider does not require a feedback loop with run-1, as is found in the pair-rule circuit of the beetle Tribolium Taken together, our results suggest that the development of posterior segments in Parasteatoda is directed by dynamic interactions between Wnt8 and Delta-Notch signalling that are read out by cad, which is necessary but probably not sufficient to regulate the expression of eve and run-1 Our study therefore provides new insights towards better understanding the evolution and developmental regulation of segmentation in other arthropods, including insects.

  18. Base Pairing Interaction between 5′- and 3′-UTRs Controls icaR mRNA Translation in Staphylococcus aureus

    Science.gov (United States)

    Ruiz de los Mozos, Igor; Vergara-Irigaray, Marta; Segura, Victor; Villanueva, Maite; Bitarte, Nerea; Saramago, Margarida; Domingues, Susana; Arraiano, Cecilia M.; Fechter, Pierre; Romby, Pascale; Valle, Jaione; Solano, Cristina; Lasa, Iñigo; Toledo-Arana, Alejandro

    2013-01-01

    The presence of regulatory sequences in the 3′ untranslated region (3′-UTR) of eukaryotic mRNAs controlling RNA stability and translation efficiency is widely recognized. In contrast, the relevance of 3′-UTRs in bacterial mRNA functionality has been disregarded. Here, we report evidences showing that around one-third of the mapped mRNAs of the major human pathogen Staphylococcus aureus carry 3′-UTRs longer than 100-nt and thus, potential regulatory functions. We selected the long 3′-UTR of icaR, which codes for the repressor of the main exopolysaccharidic compound of the S. aureus biofilm matrix, to evaluate the role that 3′-UTRs may play in controlling mRNA expression. We showed that base pairing between the 3′-UTR and the Shine-Dalgarno (SD) region of icaR mRNA interferes with the translation initiation complex and generates a double-stranded substrate for RNase III. Deletion or substitution of the motif (UCCCCUG) within icaR 3′-UTR was sufficient to abolish this interaction and resulted in the accumulation of IcaR repressor and inhibition of biofilm development. Our findings provide a singular example of a new potential post-transcriptional regulatory mechanism to modulate bacterial gene expression through the interaction of a 3′-UTR with the 5′-UTR of the same mRNA. PMID:24367275

  19. Spin-independent interferences and spin-dependent interactions with scalar dark matter

    CERN Document Server

    Martinez, R

    2015-01-01

    We explore mechanisms of interferences under which the spin-independent interaction in dispersions of scalar dark matter with nucleus is suppressed in relation to the spin-dependent one. We offer a detailed derivation of the nuclear amplitudes based on the interactions with quarks in the framework of an nonuniversal $U(1)'$ extension of the standard model. By assuming a range of parameters compatible with collider searches, electroweak observables and indirect dark matter search, we find scenarios for destructive interferences with and without isospin symmetry. The model admits solutions with mutually interfering scalar particles, canceling the effective spin-independent coupling with only scalar interactions, which requires an extra Higgs boson with mass $M_{H}>125$ GeV. The model also possess scenarios with only vector interactions through two neutral gauge bosons, $Z$ and $Z'$, which do not exhibits interference effects. Due to the nonuniversality of the $U(1)'$ symmetry, we distinguish two family structur...

  20. Direction-dependent intermolecular interactions: catechol on TiO2(110)-1×1

    Science.gov (United States)

    Li, Shao-Chun; Diebold, Ulrike

    2009-08-01

    The adsorption of a submonolayer of catechol (C6H6O2) on the rutile TiO2(110)-1×1 surface has been investigated by Scanning Tunneling Microscopy (STM). The catechol molecules are preferentially adsorbed on the surface 5-fold coordinated Ti4+ sites, and occupy two neighboring lattice Ti sites. No preference for adsorption at surface step edges is observed at room temperature. A statistical analysis of intermolecular distances demonstrates that the interaction between the molecules strongly depends on the surface crystallographic direction: catechol molecules exhibit attractive interaction along [1-1 0], while they repel each other along the [001] direction. The attractive interaction is proposed to be caused by the coupling of π bonding electrons and the repulsive interaction is possibly mediated by substrate.

  1. RNA LEGO: magnesium-dependent formation of specific RNA assemblies through kissing interactions.

    Science.gov (United States)

    Horiya, Satoru; Li, Xianglan; Kawai, Gota; Saito, Ryota; Katoh, Akira; Kobayashi, Koh; Harada, Kazuo

    2003-07-01

    The high affinity and specificity of nucleic acid base complementarity has been proven to be a powerful method for constructing specific molecular assemblies. On the other hand, recent structural studies of RNA have revealed the wide range of tertiary interactions utilized in RNA folding, which may potentially be used as tools for the design of specific macromolecular assemblies. Here, RNA building blocks containing two hairpin loops, based on the dimerization initiation site (DIS) of HIV RNA, connected by a short linker were used to construct large RNA assemblies through hairpin loop-loop ("kissing") interactions. We show that specific linear and circular assemblies can be constructed in a magnesium-dependent manner using several non-self-complementary loop-loop interactions designed in this study. These results show that the use of RNA tertiary interactions may broaden the repertoire of nucleic acid-based nanostructures.

  2. Size-dependent Fano Interaction in the Laser-etched Silicon Nanostructures

    Directory of Open Access Journals (Sweden)

    Kumar Rajesh

    2008-01-01

    Full Text Available AbstractPhoto-excitation and size-dependent Raman scattering studies on the silicon (Si nanostructures (NSs prepared by laser-induced etching are presented here. Asymmetric and red-shifted Raman line-shapes are observed due to photo-excited Fano interaction in the quantum confined nanoparticles. The Fano interaction is observed between photo-excited electronic transitions and discrete phonons in Si NSs. Photo-excited Fano studies on different Si NSs show that the Fano interaction is high for smaller size of Si NSs. Higher Fano interaction for smaller Si NSs is attributed to the enhanced interference between photo-excited electronic Raman scattering and phonon Raman scattering.

  3. Pair correlation functions and the wavevector-dependent surface tension in a simple density functional treatment of the liquid-vapour interface

    Science.gov (United States)

    Parry, A. O.; Rascón, C.; Willis, G.; Evans, R.

    2014-09-01

    We study the density-density correlation function G(r, r‧) in the interfacial region of a fluid (or Ising-like magnet) with short-ranged interactions using square gradient density functional theory. Adopting a simple double parabola approximation for the bulk free-energy density, we first show that the parallel Fourier transform G(z, z‧ q) and local structure factor S(z q) separate into bulk and excess contributions. We attempt to account for both contributions by deriving an interfacial Hamiltonian, characterised by a wavevector dependent surface tension σ(q), and then reconstructing density correlations from correlations in the interface position. We show that the standard crossing criterion identification of the interface, as a surface of fixed density (or magnetization), does not explain the separation of G(z, z‧ q) and the form of the excess contribution. We propose an alternative definition of the interface position based on the properties of correlations between points that ‘float’ with the surface and show that this describes the full q and z dependence of the excess contributions to both G and S. However, neither the ‘crossing-criterion’ nor the new ‘floating interface’ definition of σ(q) are quantities directly measurable from the total structure factor Stot(q) which contains additional q dependence arising from the non-local relation between fluctuations in the interfacial position and local density. Since it is the total structure factor that is measured experimentally or in simulations, our results have repercussions for earlier attempts to extract and interpret σ(q).

  4. Synergism and context dependency of interactions between arbuscular mycorrhizal fungi and rhizobia with a prairie legume.

    Science.gov (United States)

    Larimer, Anna L; Clay, Keith; Bever, James D

    2014-04-01

    Biotic interactions play primary roles in major theories of the distribution and abundance of species, yet the nature of these biotic interactions can depend upon the larger ecological community. Leguminous plants, for example, commonly associate with both arbuscular mycorrhizal fungi (AMF) and rhizobia bacteria, and the pairwise interactions may depend upon the presence or identity of the third partner. To determine if the dynamics of plant-AMF and plant-rhizobia interactions are affected by the alternate symbiont, we manipulated the presence and identity of each symbiont, as well as levels of the nutrients supplied by each symbiont (nitrogen and phosphorus), on the growth of prairie legume Amorpha canescens. We found strong synergistic effects of AMF and rhizobia inoculation on plant biomass production that were independent of nutrient levels. AMF and rhizobia responses were each influenced by the other, but not in the same direction. AMF infection increased root nodule number and mass, but rhizobia inoculation decreased AMF hyphal colonization of roots. The relative benefits of each combination of symbionts depended upon phosphorus level. The effect of nitrogen was also contingent on the biotic environment where nitrogen addition decreased nodulation, but this decrease was reduced with coinfection by AMF. Our results demonstrate a strong contingency on the co-occurrence of AMF and rhizobia for the long-term fitness of A. canescens, and suggest that the belowground community is critical for the success of this species in tallgrass prairies.

  5. Quantitative assessment of target dependence of pion fluctuation in hadronic interactions – estimation through erraticity

    Indian Academy of Sciences (India)

    Dipak Ghosh; Argha Deb; Mitali Mondal; Arindam Mondal; Sitram Pal

    2012-12-01

    Event-to-event fluctuation pattern of pions produced by proton and pion beams is studied in terms of the newly defined erraticity measures $ (p, q)$, $_{q}^{'}$ and $_{q}^{'}$ proposed by Cao and Hwa. The analysis reveals the erratic behaviour of the produced pions signifying the chaotic multiparticle production in high-energy hadron–nucleus interactions (- –AgBr interactions at 350 GeV/c and –AgBr interactions at 400 GeV/c). However, the chaoticity does not depend on whether the projectile is proton or pion. The results are compared with the results of the VENUS-generated data for the above interactions which suggests that VENUS event generator is unable to reproduce the event-to-event fluctuations of spatial patterns of final states. A comparative study of –AgBr interactions and - collisions at 400 GeV/c from NA27, with the help of a quantitative parameter for the assessment of pion fluctuation, indicates conclusively that particle production process is more chaotic for hadron–nucleus interactions than for hadron–hadron interactions.

  6. An exact solution of spherical mean-field plus a special separable pairing model

    Science.gov (United States)

    Dai, Lianrong; Pan, Feng; Draayer, J. P.

    2017-01-01

    An exact solution of nuclear spherical mean-field plus a special orbit-dependent separable pairing model is studied, of which the separable pairing interaction parameters are obtained by a linear fitting in terms of the single-particle energies considered. The advantage of the model is that, similar to the standard pairing case, it can be solved easily by using the extended Heine-Stieltjes polynomial approach. With the analysis of the model in the ds- and pf-shell subspace, it is shown that this special separable pairing model indeed provides similar pair structures of the model with the original separable pairing interaction, and is obviously better than the standard pairing model in many aspects.

  7. The Cyclin-Dependent Kinase Ortholog pUL97 of Human Cytomegalovirus Interacts with Cyclins

    Directory of Open Access Journals (Sweden)

    Laura Graf

    2013-12-01

    Full Text Available The human cytomegalovirus (HCMV-encoded protein kinase, pUL97, is considered a cyclin-dependent kinase (CDK ortholog, due to shared structural and functional characteristics. The primary mechanism of CDK activation is binding to corresponding cyclins, including cyclin T1, which is the usual regulatory cofactor of CDK9. This study provides evidence of direct interaction between pUL97 and cyclin T1 using yeast two-hybrid and co-immunoprecipitation analyses. Confocal immunofluorescence revealed partial colocalization of pUL97 with cyclin T1 in subnuclear compartments, most pronounced in viral replication centres. The distribution patterns of pUL97 and cyclin T1 were independent of HCMV strain and host cell type. The sequence domain of pUL97 responsible for the interaction with cyclin T1 was between amino acids 231–280. Additional co-immunoprecipitation analyses showed cyclin B1 and cyclin A as further pUL97 interaction partners. Investigation of the pUL97-cyclin T1 interaction in an ATP consumption assay strongly suggested phosphorylation of pUL97 by the CDK9/cyclin T1 complex in a substrate concentration-dependent manner. This is the first demonstration of interaction between a herpesviral CDK ortholog and cellular cyclins.

  8. Intramolecular bond length dependence of the anisotropic dispersion coefficients for H2-rare gas interactions

    Science.gov (United States)

    Wormer, Paul E. S.; Hettema, Hinne; Thakkar, Ajit J.

    1993-05-01

    Effective states arising from variational perturbation calculations in a full configuration interaction basis are used to calculate dynamic multipole polarizabilities for H2 at seven different bond lengths. These are combined with previously calculated dynamic polarizabilities for rare gas atoms to obtain the intramolecular bond length dependence of the anisotropic C6, C8, and C10 dispersion coefficients for H2-X (X=He, Ne, Ar, Kr, Xe) interactions. The results are generally in good agreement with previous semiempirical estimates where available.

  9. Context-dependency of arbuscular mycorrhizal fungi on plant-insect interactions in an agroecosystem

    Directory of Open Access Journals (Sweden)

    Nicholas A Barber

    2013-09-01

    Full Text Available Plants interact with a variety of other community members that have the potential to indirectly influence each other through a shared host plant. Arbuscular mycorrhizal fungi (AMF are generally considered plant mutualists because of their generally positive effects on plant nutrient status and growth. AMF may also have important indirect effects on plants by altering interactions with other community members. By influencing plant traits, AMF can modify aboveground interactions with both mutualists, such as pollinators, and antagonists, such as herbivores. Because herbivory and pollination can dramatically influence plant fitness, comprehensive assessment of plant-AMF interactions should include these indirect effects. To determine how AMF affect plant-insect interactions, we grew Cucumis sativus (Cucurbitaceae under five AMF inoculum treatments and control. We measured plant growth, floral production, flower size, and foliar nutrient content of half the plants, and transferred the other half to a field setting to measure pollinator and herbivore preference of wild insects. Mycorrhizal treatment had no effect on plant biomass or floral traits but significantly affected leaf nutrients, pollinator behavior, and herbivore attack. Although total pollinator visitation did not vary with AMF treatment, pollinators exhibited taxon-specific responses, with honey bees, bumble bees, and Lepidoptera all responding differently to AMF treatments. Flower number and size were unaffected by treatments, suggesting that differences in pollinator preference were driven by other floral traits. Mycorrhizae influenced leaf K and Na, but these differences in leaf nutrients did not correspond to variation in herbivore attack. Overall, we found that AMF indirectly influence both antagonistic and mutualistic insects, but impacts depend on the identity of both the fungal partner and the interacting insect, underscoring the context dependency of plant-AMF interactions.

  10. Nuclear Effects in Neutrino Interactions with Minimal Neutrino Energy Dependence -- A NuWro Truth Study

    CERN Document Server

    Pickering, Luke

    2016-01-01

    We present a Monte Carlo truth study examining nuclear effects in charged-current neutrino interactions using observables constructed in the transverse plane. Three distributions are introduced that show very weak dependence on neutrino flux and its associated uncertainty. Measurements comparing these distributions between quasi-elastic-like and single charged pion final states will provide new constraints of nuclear effects. It is suggested that the on-axis position in the NuMI beam provides the correct flux to take advantage of this reduced energy dependence in measuring nuclear effect-generated transverse imbalances.

  11. Pairing-induced speedup of nuclear spontaneous fission

    CERN Document Server

    Sadhukhan, Jhilam; Nazarewicz, W; Sheikh, J A; Baran, A

    2014-01-01

    Collective inertia is strongly influenced at the level crossing at which quantum system changes diabatically its microscopic configuration. Pairing correlations tend to make the large-amplitude nuclear collective motion more adiabatic by reducing the effect of those configuration changes. Competition between pairing and level crossing is thus expected to have a profound impact on spontaneous fission lifetimes. To elucidate the role of nucleonic pairing on spontaneous fission, we study the dynamic fission trajectories of $^{264}$Fm and $^{240}$Pu using the state-of-the-art self-consistent framework. We employ the superfluid nuclear density functional theory with the Skyrme energy density functional SkM$^*$ and a density-dependent pairing interaction. Along with shape variables, proton and neutron pairing correlations are taken as collective coordinates. The collective inertia tensor is calculated within the nonperturbative cranking approximation. The fission paths are obtained by using the least action princip...

  12. Modeling molecule-plasmon interactions using quantized radiation fields within time-dependent electronic structure theory

    Energy Technology Data Exchange (ETDEWEB)

    Nascimento, Daniel R.; DePrince, A. Eugene, E-mail: deprince@chem.fsu.edu [Department of Chemistry and Biochemistry, Florida State University, Tallahassee, Florida 32306-4390 (United States)

    2015-12-07

    We present a combined cavity quantum electrodynamics/ab initio electronic structure approach for simulating plasmon-molecule interactions in the time domain. The simple Jaynes-Cummings-type model Hamiltonian typically utilized in such simulations is replaced with one in which the molecular component of the coupled system is treated in a fully ab initio way, resulting in a computationally efficient description of general plasmon-molecule interactions. Mutual polarization effects are easily incorporated within a standard ground-state Hartree-Fock computation, and time-dependent simulations carry the same formal computational scaling as real-time time-dependent Hartree-Fock theory. As a proof of principle, we apply this generalized method to the emergence of a Fano-like resonance in coupled molecule-plasmon systems; this feature is quite sensitive to the nanoparticle-molecule separation and the orientation of the molecule relative to the polarization of the external electric field.

  13. Vibrationally dependent electron-electron interactions in resonant electron transport through single-molecule junctions

    Science.gov (United States)

    Erpenbeck, A.; Härtle, R.; Bockstedte, M.; Thoss, M.

    2016-03-01

    We investigate the role of electronic-vibrational coupling in resonant electron transport through single-molecule junctions, taking into account that the corresponding coupling strengths may depend on the charge and excitation state of the molecular bridge. Within an effective-model Hamiltonian approach for a molecule with multiple electronic states, this requires to extend the commonly used model and include vibrationally dependent electron-electron interaction. We use Born-Markov master equation methods and consider selected models to exemplify the effect of the additional interaction on the transport characteristics of a single-molecule junction. In particular, we show that it has a significant influence on local cooling and heating mechanisms, it may result in negative differential resistance, and it may cause pronounced asymmetries in the conductance map of a single-molecule junction.

  14. Time-dependent delta-interactions for 1D Schr\\"odinger Hamiltonians

    CERN Document Server

    Hmidi, Taoufik; Nier, Francis

    2009-01-01

    The non autonomous Cauchy problem for time dependent 1D point interactions is considered. The regularity assumptions for the coupling parameter are accurately analyzed and show that the general results for non autonomous linear evolution equations in Banach spaces are far from being optimal. In the mean time, this article shows an unexpected application of paraproduct techniques, initiated by J.M. Bony for nonlinear partial differential equations, to a classical linear problem.

  15. Phosphorylation state-dependent interaction between AKAP7δ/γ and phospholamban increases phospholamban phosphorylation

    Science.gov (United States)

    Rigatti, Marc; Le, Andrew V.; Gerber, Claire; Moraru, Ion I.; Dodge-Kafka, Kimberly L.

    2016-01-01

    Changes in heart rate and contractility in response to sympathetic stimulation occur via activation of cAMP dependent protein kinase A (PKA), leading to phosphorylation of numerous substrates that alter Ca2+ cycling. Phosphorylation of these substrates is coordinated by A-kinase anchoring proteins (AKAPs), which recruit PKA to specific substrates [1]. Phosphorylation of the PKA substrate phospholamban (PLB) is a critical determinant of Ca2+ re-entry into the sarcoplasmic reticulum and is coordinated by AKAP7δ/γ [2,3]. Here, we further these findings by showing that phosphorylation of PLB requires interaction with AKAP7δ/γ and that this interaction occurs only when PLB is unphosphorylated. Additionally, we find that two mutants of PLB (R9C and Δ14), which are associated with dilated cardiomyopathy in humans, prevent association with AKAP7δ/γ and display reduced phosphorylation in vitro. This finding implicates the AKAP7δ/γ-PLB interaction in the pathology of the disease phenotype. Further exploration of the AKAP7δ/γ-PLB association demonstrated a phosphorylation state-dependence of the interaction. Computational modeling revealed that this mode of interaction allows for small amounts of AKAP and PKA (100–200nM) to regulate the phosphorylation of large quantities of PLB (50µM). Our results confirm that AKAP7γ/δ binding to PLB is important for phosphorylation of PLB, and describe a novel phosphorylation state-dependent binding mechanism that explains how phosphorylation of highly abundant PKA substrates can be regulated by AKAPs present at ~100–200 fold lower concentrations. PMID:26027516

  16. Statistical model of rough surface contact accounting for size-dependent plasticity and asperity interaction

    Science.gov (United States)

    Song, H.; Vakis, A. I.; Liu, X.; Van der Giessen, E.

    2017-09-01

    The work by Greenwood and Williamson (GW) has initiated a simple but effective method of contact mechanics: statistical modeling based on the mechanical response of a single asperity. Two main assumptions of the original GW model are that the asperity response is purely elastic and that there is no interaction between asperities. However, as asperities lie on a continuous substrate, the deformation of one asperity will change the height of all other asperities through deformation of the substrate and will thus influence subsequent contact evolution. Moreover, a high asperity contact pressure will result in plasticity, which below tens of microns is size dependent, with smaller being harder. In this paper, the asperity interaction effect is taken into account through substrate deformation, while a size-dependent plasticity model is adopted for individual asperities. The intrinsic length in the strain gradient plasticity (SGP) theory is obtained by fitting to two-dimensional discrete dislocation plasticity simulations of the flattening of a single asperity. By utilizing the single asperity response in three dimensions and taking asperity interaction into account, a statistical calculation of rough surface contact is performed. The effectiveness of the statistical model is addressed by comparison with full-detail finite element simulations of rough surface contact using SGP. Throughout the paper, our focus is on the difference of contact predictions based on size-dependent plasticity as compared to conventional size-independent plasticity.

  17. Direct Measurement of Nuclear Dependence of Charged Current Quasielasticlike Neutrino Interactions Using MINERvA

    Science.gov (United States)

    Betancourt, M.; Ghosh, A.; Walton, T.; Altinok, O.; Bellantoni, L.; Bercellie, A.; Bodek, A.; Bravar, A.; Cai, T.; Martinez Caicedo, D. A.; Carneiro, M. F.; Dytman, S. A.; Díaz, G. A.; Felix, J.; Fields, L.; Fine, R.; Galindo, R.; Gallagher, H.; Ghosh, A.; Golan, T.; Gran, R.; Harris, D. A.; Higuera, A.; Hurtado, K.; Kiveni, M.; Kleykamp, J.; Le, T.; Maher, E.; Manly, S.; Mann, W. A.; Marshall, C. M.; McFarland, K. S.; McGivern, C. L.; McGowan, A. M.; Messerly, B.; Miller, J.; Mislivec, A.; Morfín, J. G.; Mousseau, J.; Naples, D.; Nelson, J. K.; Norrick, A.; Nuruzzaman, Patrick, C. E.; Perdue, G. N.; Ramírez, M. A.; Ren, L.; Rimal, D.; Rodrigues, P. A.; Ruterbories, D.; Schellman, H.; Sobczyk, J. T.; Solano Salinas, C. J.; Sánchez Falero, S.; Valencia, E.; Wolcott, J.; Wospakrik, M.; Yaeggy, B.; Minerva Collaboration

    2017-08-01

    Charged-current νμ interactions on carbon, iron, and lead with a final state hadronic system of one or more protons with zero mesons are used to investigate the influence of the nuclear environment on quasielasticlike interactions. The transferred four-momentum squared to the target nucleus, Q2, is reconstructed based on the kinematics of the leading proton, and differential cross sections versus Q2 and the cross-section ratios of iron, lead, and carbon to scintillator are measured for the first time in a single experiment. The measurements show a dependence on the atomic number. While the quasielasticlike scattering on carbon is compatible with predictions, the trends exhibited by scattering on iron and lead favor a prediction with intranuclear rescattering of hadrons accounted for by a conventional particle cascade treatment. These measurements help discriminate between different models of both initial state nucleons and final state interactions used in the neutrino oscillation experiments.

  18. When ecosystem services interact: crop pollination benefits depend on the level of pest control

    Science.gov (United States)

    Lundin, Ola; Smith, Henrik G.; Rundlöf, Maj; Bommarco, Riccardo

    2013-01-01

    Pollination is a key ecosystem service which most often has been studied in isolation although effects of pollination on seed set might depend on, and interact with, other services important for crop production. We tested three competing hypotheses on how insect pollination and pest control might jointly affect seed set: independent, compensatory or synergistic effects. For this, we performed a cage experiment with two levels of insect pollination and simulated pest control in red clover (Trifolium pratense L.) grown for seed. There was a synergistic interaction between the two services: the gain in seed set obtained when simultaneously increasing pollination and pest control outweighed the sum of seed set gains obtained when increasing each service separately. This study shows that interactions can alter the benefits obtained from service-providing organisms, and this needs to be considered to properly manage multiple ecosystem services. PMID:23269852

  19. Direct Measurement of Nuclear Dependence of Charged Current Quasielasticlike Neutrino Interactions Using MINER$\

    Energy Technology Data Exchange (ETDEWEB)

    Betancourt, M.; et al.

    2017-08-25

    Charged-current νμ interactions on carbon, iron, and lead with a final state hadronic system of one or more protons with zero mesons are used to investigate the influence of the nuclear environment on quasielasticlike interactions. The transferred four-momentum squared to the target nucleus, Q2, is reconstructed based on the kinematics of the leading proton, and differential cross sections versus Q2 and the cross-section ratios of iron, lead, and carbon to scintillator are measured for the first time in a single experiment. The measurements show a dependence on the atomic number. While the quasielasticlike scattering on carbon is compatible with predictions, the trends exhibited by scattering on iron and lead favor a prediction with intranuclear rescattering of hadrons accounted for by a conventional particle cascade treatment. These measurements help discriminate between different models of both initial state nucleons and final state interactions used in the neutrino oscillation experiments.

  20. Neutron reflectometry yields distance-dependent structures of nanometric polymer brushes interacting across water.

    Science.gov (United States)

    Rodriguez-Loureiro, Ignacio; Scoppola, Ernesto; Bertinetti, Luca; Barbetta, Aurelio; Fragneto, Giovanna; Schneck, Emanuel

    2017-08-30

    The interaction between surfaces displaying end-grafted hydrophilic polymer brushes plays important roles in biology and in many wet-technological applications. In this context, the conformation of the brushes upon their mutual approach is crucial, because it affects interaction forces and the brushes' shear-tribological properties. While this aspect has been addressed by theory, experimental data on polymer conformations under confinement are difficult to obtain. Here, we study interacting planar brushes of hydrophilic polymers with defined length and grafting density. Via ellipsometry and neutron reflectometry we obtain pressure-distance curves and determine distance-dependent polymer conformations in terms of brush compression and reciprocative interpenetration. While the pressure-distance curves are satisfactorily described by the Alexander-de-Gennes model, the pronounced brush interpenetration as seen by neutron reflectometry motivates detailed simulation-based studies capable of treating brush interpenetration on a quantitative level.

  1. $q\\bar{q}$ Pair production in non-Abelian gauge fields

    Indian Academy of Sciences (India)

    S M Puzhakkal; V M Bannur

    2007-08-01

    We calculate the $q\\bar{q}$ pair production probability in the colour-flux tube model by considering the effect of non-Abelian interactions in the theory. Non-Abelian interactions in the colour field are time-dependent and hence should oscillate with a characteristic frequency 0 , which depends on the amplitude of the field strength. Using the WKB approximation in complex time, we calculated the pair production probability. When the strength of the field is comparable to the quark masses, the corresponding pair creation probability is maximum, and for the static field 0 → 0, we recovered the well-known Schwinger result.

  2. Interaction of an anti-cancer photosensitizer with a genomic DNA: From base pair specificity and thermodynamic landscape to tuning the rate of detergent-sequestered dissociation.

    Science.gov (United States)

    Paul, Bijan K; Ghosh, Narayani; Mukherjee, Saptarshi

    2016-05-15

    A detailed characterization of the binding interaction of a potent cancer cell photosensitizer, norharmane (NHM) with a genomic DNA (herring sperm; hsDNA) is undertaken with particular emphasis on deciphering the strength, mode, dynamics, energetics and kinetics of binding. A major focus of the study underlies a successful exploration of the concept of detergent-sequestered dissociation of drug from the drug-DNA complex. Biophysical techniques such as absorption, steady-state and time-resolved fluorescence spectroscopy, circular dichroism, DNA helix melting, stopped-flow fluorescence kinetics and calorimetry have been used. A primarily intercalative mode of binding of NHM with DNA is shown. However, the overall interaction is governed by more than one type of binding forces. We demonstrate that the essential prerequisite of a slower dissociation rate of drug from DNA helix is achieved by tenable choice surfactants. Our results also highlight an effective tunability of the rate of dissociation of the DNA-intercalated drug via detergent-sequestration. A detailed isothermal titration calorimetric study unveils the key role of hydrophobic force underlying NHM-hsDNA association. This is further substantiated by the enthalpy-entropy compensation behavior. The major entropic contribution in detergent-induced dissociation of NHM from NHM-hsDNA complex is also demonstrated. Our results present not only a comprehensive structural and thermodynamic profile, base pair specificity, association kinetics for binding of NHM with DNA but also explore the thermodynamic and kinetic aspects of dissociation of bound drug. Characterization and tuning of the essential prerequisites for a drug to be efficient in anti-cancer functionality bear direct and widespread significance in contemporary global research.

  3. Neutral Higgs-pair production at Linear Colliders within the general 2HDM: quantum effects and triple Higgs boson self-interactions

    CERN Document Server

    Lopez-Val, David

    2009-01-01

    (Abridged) The pairwise production of neutral Higgs bosons is analyzed in the context of the future linear colliders, such as the ILC and CLIC, within the general Two-Higgs-Doublet Model (2HDM). The corresponding cross-sections are computed at the one-loop level in full compliance with the current phenomenological bounds and the stringent theoretical constraints inherent to the consistency of the model. We uncover regions across the 2HDM parameter space, mainly for low tan\\beta near 1 and moderate values of the relevant lambda_5 parameter, wherein the radiative corrections to the Higgs-pair production cross sections can comfortably reach 50% This behavior can be traced back to the enhancement capabilities of the trilinear Higgs self-interactions -- a trademark feature of the 2HDM, with no counterpart in the Minimal Supersymmetric Standard Model. Interestingly enough, the quantum effects are positive for energies around 500 GeV, thereby producing a significant enhancement in the expected number of events preci...

  4. Efficient visible and near-infrared photoluminescent attapulgite-based lanthanide one-dimensional nanomaterials assembled by ion-pairing interactions.

    Science.gov (United States)

    Xu, Jun; Zhang, Ye; Chen, Hao; Liu, Weisheng; Tang, Yu

    2014-06-07

    Attapulgite, a one-dimensional fibrillar nanomaterial present in nature, with its extreme stability, is a promising material to act as a new carrier of luminescent lanthanide complexes for further applications. Herein, a series of lanthanide complexes Na[Ln(TTA)4] have been attached to attapulgite (Atta) via ion-pairing interactions, generating the first example of attapulgite-based visible and near-infrared (NIR) luminescent lanthanide one-dimensional nanomaterials, where TTA is 2-thenoyltrifluoroacetonate and Ln is Eu, Sm, Nd, Er or Yb. The hybrid materials were characterized by CHN elemental analysis, inductively coupled plasma-atomic emission spectroscopy (ICP), powder X-ray diffraction (PXRD), thermogravimetry (TG), transmission electron microscopy (TEM), and UV-vis absorption spectra. In order to investigate the photophysical behaviours of these materials, the visible and NIR luminescent spectra and the energy transfer process have been systematically investigated. Moreover, efforts have been made to produce Eu- and Sm-based plastic attapulgite materials by utilizing poly(methyl methacrylate) (PMMA) matrices, and the dispersibility of the lanthanide-doped hybrids in PMMA provides them with a high mechanical strength. The lanthanide-doped attapulgite appears to be an interesting material for photophysical applications. The results of this work would have potential significance for the design and assembly of luminescent lanthanide materials for light-emitting diodes (LED), sunlight-conversion films, optical amplifiers, solar concentrators, and lasers.

  5. Generalized spin-dependent WIMP-nucleus interactions and the DAMA modulation effect

    CERN Document Server

    Scopel, Stefano; Yoon, KookHyun

    2015-01-01

    Guided by non-relativistic Effective Field Theory (EFT) we classify the most general spin-dependent interactions between a fermionic Weakly Interacting Massive Particle (WIMP) and nuclei, and within this class of models we discuss the viability of an interpretation of the DAMA modulation result in terms of a signal from WIMP elastic scatterings using a halo-independent approach. We find that, although several relativistic EFT's can lead to a spin-dependent cross section, in some cases with an explicit, non-negligible dependence on the WIMP incoming velocity, three main scenarios can be singled out in the non-relativistic limit which approximately encompass them all, and that only differ by their dependence on the transferred momentum. For two of them compatibility between DAMA and other constraints is possible for a WIMP mass below 30 GeV, but only for a WIMP velocity distribution in the halo of our Galaxy which departs from a Maxwellian. This is achieved by combining a suppression of the WIMP effective coupl...

  6. Investigating the context-dependency of plant-soil-AMF-microbe interactions along a pollution gradient

    Science.gov (United States)

    Glassman, S. I.; Casper, B. B.

    2010-12-01

    Background/Question/Methods Investigating how arbuscular mycorrhizal fungi (AMF)-plant interactions vary with edaphic conditions provides an opportunity to test the context-dependency of interspecific interactions, which is currently recognized as a major avenue of future research. We study plant-mycorrhiza symbiotic relationships along a gradient of heavy metal contamination at a recently revegetated “Superfund” site on Blue Mountain, in Palmerton, Pennsylvania. We investigated the interactions involving the native mycorrhizal fungi, non-mycorrhizal soil microbes, soil, and two plant species (a C3 and C4 grass) along the contamination gradient. The native C3 study species Deschampsia flexuosa, is dominant along the gradient and established naturally; the C4 Sorghastrum nutans, is native to Pennsylvania but not to the site and was introduced during restoration. Because C4 grasses are obligate mycotrophs, we expected S. nutans to have a different effect on and response to the soil symbiont community than the C3 grass. We carried out a full factorial greenhouse experiment using field-collected seeds of D. flexuosa and S. nutans, soil, AMF spores, and non-mycorrhizal microbes from both high and low contaminated ends of the gradient. After 11 weeks of growth in the greenhouses, we harvested above and belowground plant biomass, and quantified AMF root colonization and AMF sporulation. Results/Conclusions Our results indicate that context-dependent function is an important factor driving specific ecological interactions between plants and soil microbes. We found that soil origin significantly affected plant growth. Plants from both species grew much larger in soil from low contaminated (LC) origin than high contaminated (HC) origin. Furthermore, we found that the efficacy of AMF in promoting plant growth depended on AMF origin. Specifically, AMF from LC improved growth of D. flexuosa best in either soil background and improved survivorship of S. nutans in HC soil

  7. How Mg(2+) ion and water network affect the stability and structure of non-Watson-Crick base pairs in E. coli loop E of 5S rRNA: a molecular dynamics and reference interaction site model (RISM) study.

    Science.gov (United States)

    Shanker, Sudhanshu; Bandyopadhyay, Pradipta

    2017-08-01

    The non-Watson-Crick (non-WC) base pairs of Escherichia coli loop E of 5S rRNA are stabilized by Mg(2+) ions through water-mediated interaction. It is important to know the synergic role of Mg(2+) and the water network surrounding Mg(2+) in stabilizing the non-WC base pairs of RNA. For this purpose, free energy change of the system is calculated using molecular dynamics (MD) simulation as Mg(2+) is pulled from RNA, which causes disturbance of the water network. It was found that Mg(2+) remains hexahydrated unless it is close to or far from RNA. In the pentahydrated form, Mg(2+) interacts directly with RNA. Water network has been identified by two complimentary methods; MD followed by a density-based clustering algorithm and three-dimensional-reference interaction site model. These two methods gave similar results. Identification of water network around Mg(2+) and non-WC base pairs gives a clue to the strong effect of water network on the stability of this RNA. Based on sequence analysis of all Eubacteria 5s rRNA, we propose that hexahydrated Mg(2+) is an integral part of this RNA and geometry of base pairs surrounding it adjust to accommodate the [Formula: see text]. Overall the findings from this work can help in understanding the basis of the complex structure and stability of RNA with non-WC base pairs.

  8. Charge-transfer pipi* excited state in the 7-azaindole dimer. A hybrid configuration interactions singles/time-dependent density functional theory description.

    Science.gov (United States)

    Gelabert, Ricard; Moreno, Miquel; Lluch, José M

    2006-01-26

    The hybrid configuration interaction singles/time dependent density functional theory approach of Dreuw and Head-Gordon [Dreuw, A.; Head-Gordon, M. J. Am. Chem. Soc. 2004, 126, 4007] has been applied to study the potential energy landscape and accessibility of the charge-transfer pipi* excited state in the dimer of 7-azaindole, which has been traditionally considered a model for DNA base pairing. It is found that the charge-transfer pipi* excited state preferentially stabilizes the product of a single proton transfer. In this situation, the crossing between this state and the photoactive electronic state of the dimer is accessible. It is found that the charge-transfer pipi* excited state has a very steep potential energy profile with respect to any single proton-transfer coordinate and, in contrast, an extremely flat potential energy profile with respect to the stretch of the single proton-transfer complex. This is predicted to bring about a pair of rare fragments of the 7-azaindole dimer, physically separated and hence having very long lifetimes. This could have implications in the DNA base pairs of which the system is an analogue, in the form of replication errors.

  9. Interactional power: observing and identifying power in interaction analyses of adult education situations depending on power notions and data types

    Directory of Open Access Journals (Sweden)

    Sigrid Nolda

    2014-04-01

    Full Text Available Since the 1970s, various aspects of power have been at the focus of theoretical and empirical adult education research. Despite the actual interest in political and discursive aspects of power, this article emphasizes the importance of interactional studies when observing and identifying power based on various types of data. As for German interaction studies, three phases can be distinguished, characterized by a observations of failed participation based on records of classroom behaviour, b the identification of mutual power negotiation in classroom and counselling situations based on transcriptions, and c the identification of the power of physical settings in adult education classrooms and in counselling sessions based on visual data. It is presumed that observing/identifying power in adult education classrooms and counselling sessions generally depends not only on the notions of power underlying the studies but also on the data types produced and the methods applied for their interpretation. In addition, the question is raised whether the identification of power can be considered a power practice used by adult education researchers.

  10. Dependence of Interaction Free Energy between Solutes on an External Electrostatic Field

    Directory of Open Access Journals (Sweden)

    Pei-Kun Yang

    2013-07-01

    Full Text Available To explore the athermal effect of an external electrostatic field on the stabilities of protein conformations and the binding affinities of protein-protein/ligand interactions, the dependences of the polar and hydrophobic interactions on the external electrostatic field, −Eext, were studied using molecular dynamics (MD simulations. By decomposing Eext into, along, and perpendicular to the direction formed by the two solutes, the effect of Eext on the interactions between these two solutes can be estimated based on the effects from these two components. Eext was applied along the direction of the electric dipole formed by two solutes with opposite charges. The attractive interaction free energy between these two solutes decreased for solutes treated as point charges. In contrast, the attractive interaction free energy between these two solutes increased, as observed by MD simulations, for Eext = 40 or 60 MV/cm. Eext was applied perpendicular to the direction of the electric dipole formed by these two solutes. The attractive interaction free energy was increased for Eext = 100 MV/cm as a result of dielectric saturation. The force on the solutes along the direction of Eext computed from MD simulations was greater than that estimated from a continuum solvent in which the solutes were treated as point charges. To explore the hydrophobic interactions, Eext was applied to a water cluster containing two neutral solutes. The repulsive force between these solutes was decreased/increased for Eext along/perpendicular to the direction of the electric dipole formed by these two solutes.

  11. A model of urban scaling laws based on distance dependent interactions

    Science.gov (United States)

    Ribeiro, Fabiano L.; Meirelles, Joao; Ferreira, Fernando F.

    2017-01-01

    Socio-economic related properties of a city grow faster than a linear relationship with the population, in a log–log plot, the so-called superlinear scaling. Conversely, the larger a city, the more efficient it is in the use of its infrastructure, leading to a sublinear scaling on these variables. In this work, we addressed a simple explanation for those scaling laws in cities based on the interaction range between the citizens and on the fractal properties of the cities. To this purpose, we introduced a measure of social potential which captured the influence of social interaction on the economic performance and the benefits of amenities in the case of infrastructure offered by the city. We assumed that the population density depends on the fractal dimension and on the distance-dependent interactions between individuals. The model suggests that when the city interacts as a whole, and not just as a set of isolated parts, there is improvement of the socio-economic indicators. Moreover, the bigger the interaction range between citizens and amenities, the bigger the improvement of the socio-economic indicators and the lower the infrastructure costs of the city. We addressed how public policies could take advantage of these properties to improve cities development, minimizing negative effects. Furthermore, the model predicts that the sum of the scaling exponents of social-economic and infrastructure variables are 2, as observed in the literature. Simulations with an agent-based model are confronted with the theoretical approach and they are compatible with the empirical evidences.

  12. Antiferromagnetic exchange and spin-fluctuation pairing in cuprate superconductors

    Science.gov (United States)

    Plakida, Nikolay M.

    2006-01-01

    A microscopic theory of superconductivity is formulated within an effective p-d Hubbard model for a CuO2 plane. By applying the Mori-type projection technique, the Dyson equation is derived for the Green functions in terms of Hubbard operators. The antiferromagnetic exchange caused by interband hopping results in pairing of all carries in the conduction subband and high Tc proportional to the Fermi energy. Kinematic interaction in intraband hopping is responsible for the conventional spin-fluctuation pairing. Numerical solution of the gap equation proves the d-wave gap symmetry and defines Tc doping dependence. Oxygen isotope shift and pressure dependence of Tc are also discussed.

  13. Blocking an N-terminal acetylation–dependent protein interaction inhibits an E3 ligase

    Energy Technology Data Exchange (ETDEWEB)

    Scott, Daniel C.; Hammill, Jared T.; Min, Jaeki; Rhee, David Y.; Connelly, Michele; Sviderskiy, Vladislav O.; Bhasin, Deepak; Chen, Yizhe; Ong, Su-Sien; Chai, Sergio C.; Goktug, Asli N.; Huang, Guochang; Monda, Julie K.; Low, Jonathan; Kim, Ho Shin; Paulo, Joao A.; Cannon, Joe R.; Shelat, Anang A.; Chen, Taosheng; Kelsall, Ian R.; Alpi, Arno F.; Pagala, Vishwajeeth; Wang, Xusheng; Peng, Junmin; Singh , Bhuvanesh; Harper, J. Wade; Schulman, Brenda A.; Guy, R. Kip (MSKCC); (Dundee); (SJCH); (Harvard-Med); (MXPL)

    2017-06-05

    N-terminal acetylation is an abundant modification influencing protein functions. Because ~80% of mammalian cytosolic proteins are N-terminally acetylated, this modification is potentially an untapped target for chemical control of their functions. Structural studies have revealed that, like lysine acetylation, N-terminal acetylation converts a positively charged amine into a hydrophobic handle that mediates protein interactions; hence, this modification may be a druggable target. We report the development of chemical probes targeting the N-terminal acetylation–dependent interaction between an E2 conjugating enzyme (UBE2M or UBC12) and DCN1 (DCUN1D1), a subunit of a multiprotein E3 ligase for the ubiquitin-like protein NEDD8. The inhibitors are highly selective with respect to other protein acetyl-amide–binding sites, inhibit NEDD8 ligation in vitro and in cells, and suppress anchorage-independent growth of a cell line with DCN1 amplification. Overall, our data demonstrate that N-terminal acetyl-dependent protein interactions are druggable targets and provide insights into targeting multiprotein E2–E3 ligases.

  14. Extended Synaptotagmin Interaction with the Fibroblast Growth Factor Receptor Depends on Receptor Conformation, Not Catalytic Activity.

    Science.gov (United States)

    Tremblay, Michel G; Herdman, Chelsea; Guillou, François; Mishra, Prakash K; Baril, Joëlle; Bellenfant, Sabrina; Moss, Tom

    2015-06-26

    We previously demonstrated that ESyt2 interacts specifically with the activated FGF receptor and is required for a rapid phase of receptor internalization and for functional signaling via the ERK pathway in early Xenopus embryos. ESyt2 is one of the three-member family of Extended Synaptotagmins that were recently shown to be implicated in the formation of endoplasmic reticulum (ER)-plasma membrane (PM) junctions and in the Ca(2+) dependent regulation of these junctions. Here we show that ESyt2 is directed to the ER by its putative transmembrane domain, that the ESyts hetero- and homodimerize, and that ESyt2 homodimerization in vivo requires a TM adjacent sequence but not the SMP domain. ESyt2 and ESyt3, but not ESyt1, selectively interact in vivo with activated FGFR1. In the case of ESyt2, this interaction requires a short TM adjacent sequence and is independent of receptor autophosphorylation, but dependent on receptor conformation. The data show that ESyt2 recognizes a site in the upper kinase lobe of FGFR1 that is revealed by displacement of the kinase domain activation loop during receptor activation.

  15. NRC-interacting factor directs neurite outgrowth in an activity-dependent manner.

    Science.gov (United States)

    Zhao, X-S; Fu, W-Y; Hung, K-W; Chien, W W Y; Li, Z; Fu, A K; Ip, N Y

    2015-03-19

    Nuclear hormone receptor coregulator-interacting factor 1 (NIF-1) is a zinc finger nuclear protein that was initially identified to enhance nuclear hormone receptor transcription via its interaction with nuclear hormone receptor coregulator (NRC). NIF-1 may regulate gene transcription either by modulating general transcriptional machinery or remodeling chromatin structure through interactions with specific protein partners. We previously reported that the cytoplasmic/nuclear localization of NIF-1 is regulated by the neuronal Cdk5 activator p35, suggesting potential neuronal functions for NIF-1. The present study reveals that NIF-1 plays critical roles in regulating neuronal morphogenesis at early stages. NIF-1 was prominently expressed in the nuclei of developing rat cortical neurons. Knockdown of NIF-1 expression attenuated both neurite outgrowth in cultured cortical neurons and retinoic acid (RA)-treated Neuro-2a neuroblastoma cells. Furthermore, activity-induced Ca(2+) influx, which is critical for neuronal morphogenesis, stimulated the nuclear localization of NIF-1 in cortical neurons. Suppression of NIF-1 expression reduced the up-regulation of neuronal activity-dependent gene transcription. These findings collectively suggest that NIF-1 directs neuronal morphogenesis during early developmental stages through modulating activity-dependent gene transcription.

  16. Investigation of the pH-dependence of dye-doped protein-protein interactions.

    Science.gov (United States)

    Nudelman, Roman; Gloukhikh, Ekaterina; Rekun, Antonina; Richter, Shachar

    2016-11-01

    Proteins can dramatically change their conformation under environmental conditions such as temperature and pH. In this context, Glycoprotein's conformational determination is challenging. This is due to the variety of domains which contain rich chemical characters existing within this complex. Here we demonstrate a new, straightforward and efficient technique that uses the pH-dependent properties of dyes-doped Pig Gastric Mucin (PGM) for predicting and controlling protein-protein interaction and conformation. We utilize the PGM as natural host matrix which is capable of dynamically changing its conformational shape and adsorbing hydrophobic and hydrophilic dyes under different pH conditions and investigate and control the fluorescent properties of these composites in solution. It is shown at various pH conditions, a large variety of light emission from these complexes such as red, green and white is obtained. This phenomenon is explained by pH-dependent protein folding and protein-protein interactions that induce different emission spectra which are mediated and controlled by means of dye-dye interactions and surrounding environment. This process is used to form the technologically challenging white light-emitting liquid or solid coating for LED devices. © 2016 The Protein Society.

  17. [Fluoxetine (FX) efficacy in the treatment of cocaine dependence methadone maintenance patients. Interaction with plasma levels].

    Science.gov (United States)

    Baño, M D; Agujetas, M; López, M L; Tena, T; Rodríguez, A; Lora-Tamayo, C; Guillén, J L

    1999-01-01

    The objective of this study was to assess the efficacy of fluoxetine (FX) treatment in cocaine dependent methadone (MTD) maintenance patients, to assess decrease or interruption of cocaine use and pharmacokinetic interaction between fluoxetine an methadone plasma levels. The sample was composed of 11 patients with DSM IV criteria for opioid and cocaine dependence. We added Fluoxetine (20 mg per day) during 9 weeks in Majadahonda Drug Program. All patients were in methadone program a mean of 7.5 months. We made a psychiatry interview and the baseline severity of the mood disorder was assessed with the Clinical Global Impression ICG for therapeutic improvement. Cocaine use and fluoxetine treatment was measured in urine analysis and pharmacokinetic interaction between FX-MTD were measured with plasma levels of methadone. Fluoxetine was well tolerated combined with methadone. FX-MTD interaction didn't occur, resulting in no increased of MTD plasma level to dose before and after fluoxetine treatment. After fluoxetine treatment decreased cocaine use, changed cocaine tract from injected to smoked and improvement depressive symptoms.

  18. Motor-substrate interactions in mycoplasma motility explains non-Arrhenius temperature dependence.

    Science.gov (United States)

    Chen, Jing; Neu, John; Miyata, Makoto; Oster, George

    2009-12-02

    Mycoplasmas exhibit a novel, substrate-dependent gliding motility that is driven by approximately 400 "leg" proteins. The legs interact with the substrate and transmit the forces generated by an assembly of ATPase motors. The velocity of the cell increases linearly by nearly 10-fold over a narrow temperature range of 10-40 degrees C. This corresponds to an Arrhenius factor that decreases from approximately 45 k(B)T at 10 degrees C to approximately 10 k(B)T at 40 degrees C. On the other hand, load-velocity curves at different temperatures extrapolate to nearly the same stall force, suggesting a temperature-insensitive force-generation mechanism near stall. In this article, we propose a leg-substrate interaction mechanism that explains the intriguing temperature sensitivity of this motility. The large Arrhenius factor at low temperature comes about from the addition of many smaller energy barriers arising from many substrate-binding sites at the distal end of the leg protein. The Arrhenius dependence attenuates at high temperature due to two factors: 1), the reduced effective multiplicity of energy barriers intrinsic to the multiple-site binding mechanism; and 2), the temperature-sensitive weakly facilitated leg release that curtails the power stroke. The model suggests an explanation for the similar steep, sub-Arrhenius temperature-velocity curves observed in many molecular motors, such as kinesin and myosin, wherein the temperature behavior is dominated not by the catalytic biochemistry, but by the motor-substrate interaction.

  19. Temperature dependence of water interactions with the amide carbonyls of α-helices.

    Science.gov (United States)

    Brewer, Scott H; Tang, Yuefeng; Vu, Dung M; Gnanakaran, S; Raleigh, Daniel P; Dyer, R Brian

    2012-07-03

    Hydration is a key determinant of the folding, dynamics, and function of proteins. In this study, temperature-dependent Fourier transform infrared (FTIR) spectroscopy combined with singular value decomposition (SVD) and global fitting were used to investigate both the interaction of water with α-helical proteins and the cooperative thermal unfolding of these proteins. This methodology has been applied to an isolated α-helix (Fs peptide) and to globular α-helical proteins including the helical subdomain and full-length villin headpiece (HP36 and HP67). The results suggest a unique IR signature for the interaction of water with the helical amide carbonyl groups of the peptide backbone. The IR spectra indicate a weakening of the net hydrogen bond strength of water to the backbone carbonyls with increasing temperature. This weakening of the backbone solvation occurs as a discrete transition near the maximum of the temperature-dependent hydrophobic effect, not a continuous change with increasing temperature. Possible molecular origins of this effect are discussed with respect to previous molecular dynamics simulations of the temperature-dependent solvation of the helix backbone.

  20. Earthquake simulations with time-dependent nucleation and long-range interactions

    Directory of Open Access Journals (Sweden)

    J. H. Dieterich

    1995-01-01

    Full Text Available A model for rapid simulation of earthquake sequences is introduced which incorporates long-range elastic interactions among fault elements and time-dependent earthquake nucleation inferred from experimentally derived rate- and state-dependent fault constitutive properties. The model consists of a planar two-dimensional fault surface which is periodic in both the x- and y-directions. Elastic interactions among fault elements are represented by an array of elastic dislocations. Approximate solutions for earthquake nucleation and dynamics of earthquake slip are introduced which permit computations to proceed in steps that are determined by the transitions from one sliding state to the next. The transition-driven time stepping and avoidance of systems of simultaneous equations permit rapid simulation of large sequences of earthquake events on computers of modest capacity, while preserving characteristics of the nucleation and rupture propagation processes evident in more detailed models. Earthquakes simulated with this model reproduce many of the observed spatial and temporal characteristics of clustering phenomena including foreshock and aftershock sequences. Clustering arises because the time dependence of the nucleation process is highly sensitive to stress perturbations caused by nearby earthquakes. Rate of earthquake activity following a prior earthquake decays according to Omori's aftershock decay law and falls off with distance.

  1. Dependence of the lone pair of bismuth on coordination environment and pressure: An ab initio study on Cu4Bi5S10 and Bi2S3

    DEFF Research Database (Denmark)

    Olsen, Lars Arnskov; Lopez-Solano, Javier; Garcia, Alberto;

    2010-01-01

    DFT calculations have been carried out for Cu4Bi5S10 and Bi2S3 to provide an analysis of the relation between electronic structure, lone electron pairs and the local geometry. The effect of pressure is considered in Bi2S3 and the results are compared to published experimental data. Bi3+ in Cu4Bi5S......-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 Cu4Bi5S10, whereas Bi s–p hybridization......10 is found at both symmetrically and asymmetrically coordinated sites, whereas the coordination environments of Bi in Bi2S3 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...

  2. The self-interaction of a fluid interface, the wavevector dependent surface tension and wedge filling

    Science.gov (United States)

    Parry, Andrew O.; Rascón, Carlos

    2011-01-01

    We argue that whenever an interface, separating bulk fluid phases, adopts a non-planar configuration (induced by a confining geometry or thermal fluctuations, say), the energy cost of it will contain a non-local self-interaction term. For systems with short-ranged forces and Ising symmetry, we determine the self-interaction by integrating out bulk-like degrees of freedom from a more microscopic Landau-Ginzburg-Wilson model. The self-interaction can be written in a simple diagrammatic form involving integrals over effective two-body forces acting at the interface and consistently accounts for a number of known features of the microscopic model, including the wavevector dependence of the surface tension describing the fluctuations of a near planar interface. When applied to wedge filling transitions, the self-interaction describes the attraction between the wetting films on either side of the wedge. We show that, for sufficiently acute wedges, this can alter the order of the filling phase transition.

  3. The self-interaction of a fluid interface, the wavevector dependent surface tension and wedge filling

    Energy Technology Data Exchange (ETDEWEB)

    Parry, Andrew O [Department of Mathematics, Imperial College London, London SW7 2BZ (United Kingdom); Rascon, Carlos [Grupo Interdisciplinar de Sistemas Complejos (GISC), Departamento de Matematicas, Universidad Carlos III de Madrid, 28911 Leganes, Madrid (Spain)

    2011-01-12

    We argue that whenever an interface, separating bulk fluid phases, adopts a non-planar configuration (induced by a confining geometry or thermal fluctuations, say), the energy cost of it will contain a non-local self-interaction term. For systems with short-ranged forces and Ising symmetry, we determine the self-interaction by integrating out bulk-like degrees of freedom from a more microscopic Landau-Ginzburg-Wilson model. The self-interaction can be written in a simple diagrammatic form involving integrals over effective two-body forces acting at the interface and consistently accounts for a number of known features of the microscopic model, including the wavevector dependence of the surface tension describing the fluctuations of a near planar interface. When applied to wedge filling transitions, the self-interaction describes the attraction between the wetting films on either side of the wedge. We show that, for sufficiently acute wedges, this can alter the order of the filling phase transition.

  4. Density-dependent effective baryon-baryon interaction from chiral three-baryon forces

    Science.gov (United States)

    Petschauer, Stefan; Haidenbauer, Johann; Kaiser, Norbert; Meißner, Ulf-G.; Weise, Wolfram

    2017-01-01

    A density-dependent effective potential for the baryon-baryon interaction in the presence of the (hyper)nuclear medium is constructed, based on the leading (irreducible) three-baryon forces derived within SU(3) chiral effective field theory. We evaluate the contributions from three classes: contact terms, one-pion exchange and two-pion exchange. In the strangeness-zero sector we recover the known result for the in-medium nucleon-nucleon interaction. Explicit expressions for the ΛN in-medium potential in (asymmetric) nuclear matter are presented. Our results are suitable for implementation into calculations of (hyper)nuclear matter. In order to estimate the low-energy constants of the leading three-baryon forces we introduce the decuplet baryons as explicit degrees of freedom and construct the relevant terms in the minimal non-relativistic Lagrangian. With these, the constants are estimated through decuplet saturation. Utilizing this approximation we provide numerical results for the effect of the three-body force in symmetric nuclear matter and pure neutron matter on the ΛN interaction. A moderate repulsion that increases with density is found in comparison to the free ΛN interaction.

  5. Temperature Depended Role of Shigella flexneri Invasion Plasmid on the Interaction with Acanthamoeba castellanii

    Directory of Open Access Journals (Sweden)

    Amir Saeed

    2012-01-01

    Full Text Available Shigella flexneri is a Gram-negative bacterium causing the diarrhoeal disease shigellosis in humans. The virulence genes required for invasion are clustered on a large 220 kb plasmid encoding type three secretion system (TTSS apparatus and virulence factors such as adhesions and invasion plasmid antigens (Ipa. The bacterium is transmitted by contaminated food, water, or from person to person. Acanthamoebae are free-living amoebae (FLA which are found in diverse environments and isolated from various water sources. Different bacteria interact differently with FLA since Francisella tularensis, Vibrio cholerae, Shigella sonnei, and S. dysenteriae are able to grow inside A. castellanii. In contrast, Pseudomonas aeruginosa induces both necrosis and apoptosis to kill A. castellanii. The aim of this study is to examine the role of invasion plasmid of S. flexneri on the interaction with A. castellanii at two different temperatures. A. castellanii in the absence or presence of wild type, IpaB mutant, or plasmid-cured strain S. flexneri was cultured at 30∘C and 37∘C and the interaction was analysed by viable count of both bacteria and amoebae, electron microscopy, flow cytometry, and statistical analysis. The outcome of the interaction was depended on the temperature since the growth of A. castellanii was inhibited at 30∘C, and A. castellanii was killed by invasion plasmid mediated necrosis at 37∘C.

  6. A cancer derived mutation in the Retinoblastoma gene with a distinct defect for LXCXE dependent interactions

    Directory of Open Access Journals (Sweden)

    Demone Jordan

    2010-03-01

    Full Text Available Abstract Background The interaction between viral oncoproteins such as Simian virus 40 TAg, adenovirus E1A, and human papilloma virus E7, and the retinoblastoma protein (pRB occurs through a well characterized peptide sequence, LXCXE, on the viral protein and a well conserved groove in the pocket domain of pRB. Cellular proteins, such as histone deacetylases, also use this mechanism to interact with the retinoblastoma protein to repress transcription at cell cycle regulated genes. For these reasons this region of the pRB pocket domain is thought to play a critical role in growth suppression. Results In this study, we identify and characterize a tumor derived allele of the retinoblastoma gene (RB1 that possesses a discrete defect in its ability to interact with LXCXE motif containing proteins that compromises proliferative control. To assess the frequency of similar mutations in the RB1 gene in human cancer, we screened blood and tumor samples for similar alleles. We screened almost 700 samples and did not detect additional mutations, indicating that this class of mutation is rare. Conclusions Our work provides proof of principal that alleles encoding distinct, partial loss of function mutations in the retinoblastoma gene that specifically lose LXCXE dependent interactions, are found in human cancer.

  7. The self-interaction of a fluid interface, the wavevector dependent surface tension and wedge filling.

    Science.gov (United States)

    Parry, Andrew O; Rascón, Carlos

    2011-01-12

    We argue that whenever an interface, separating bulk fluid phases, adopts a non-planar configuration (induced by a confining geometry or thermal fluctuations, say), the energy cost of it will contain a non-local self-interaction term. For systems with short-ranged forces and Ising symmetry, we determine the self-interaction by integrating out bulk-like degrees of freedom from a more microscopic Landau-Ginzburg-Wilson model. The self-interaction can be written in a simple diagrammatic form involving integrals over effective two-body forces acting at the interface and consistently accounts for a number of known features of the microscopic model, including the wavevector dependence of the surface tension describing the fluctuations of a near planar interface. When applied to wedge filling transitions, the self-interaction describes the attraction between the wetting films on either side of the wedge. We show that, for sufficiently acute wedges, this can alter the order of the filling phase transition.

  8. Self-organized network of phase oscillators coupled by activity-dependent interactions.

    Science.gov (United States)

    Aoki, Takaaki; Aoyagi, Toshio

    2011-12-01

    We investigate a network of coupled phase oscillators whose interactions evolve dynamically depending on the relative phases between the oscillators. We found that this coevolving dynamical system robustly yields three basic states of collective behavior with their self-organized interactions. The first is the two-cluster state, in which the oscillators are organized into two synchronized groups. The second is the coherent state, in which the oscillators are arranged sequentially in time. The third is the chaotic state, in which the relative phases between oscillators and their coupling weights are chaotically shuffled. Furthermore, we demonstrate that self-assembled multiclusters can be designed by controlling the weight dynamics. Note that the phase patterns of the oscillators and the weighted network of interactions between them are simultaneously organized through this coevolving dynamics. We expect that these results will provide new insight into self-assembly mechanisms by which the collective behavior of a rhythmic system emerges as a result of the dynamics of adaptive interactions.

  9. Temperature dependence of Raman-active phonons and anharmonic interactions in layered hexagonal BN

    Science.gov (United States)

    Cuscó, Ramon; Gil, Bernard; Cassabois, Guillaume; Artús, Luis

    2016-10-01

    We present a Raman scattering study of optical phonons in hexagonal BN for temperatures ranging from 80 to 600 K. The experiments were performed on high-quality, single-crystalline hexagonal BN platelets. The observed temperature dependence of the frequencies and linewidths of both Raman active E2 g optical phonons is analyzed in the framework of anharmonic decay theory, and possible decay channels are discussed in the light of density-functional theory calculations. With increasing temperature, the E2g high mode displays strong anharmonic interactions, with a linewidth increase that indicates an important contribution of four-phonon processes and a marked frequency downshift that can be attributed to a substantial effect of the four-phonon scattering processes (quartic anharmonicity). In contrast, the E2g low mode displays a very narrow linewidth and weak anharmonic interactions, with a frequency downshift that is primarily accounted for by the thermal expansion of the interlayer spacing.

  10. Hubbard interactions in iron-based pnictides and chalcogenides: Slater parametrization, screening channels, and frequency dependence

    Science.gov (United States)

    van Roekeghem, Ambroise; Vaugier, Loïg; Jiang, Hong; Biermann, Silke

    2016-09-01

    We calculate the strength of the frequency-dependent on-site electronic interactions in the iron pnictides LaFeAsO, BaFe2As2 , BaRu2As2 , and LiFeAs and the chalcogenide FeSe from first principles within the constrained random phase approximation. We discuss the accuracy of an atomiclike parametrization of the two-index density-density interaction matrices based on the calculation of an optimal set of three independent Slater integrals, assuming that the angular part of the Fe d localized orbitals can be described within spherical harmonics as for isolated Fe atoms. We show that its quality depends on the ligand-metal bonding character rather than on the dimensionality of the lattice: it is excellent for ionic-like Fe-Se (FeSe) chalcogenides and a more severe approximation for more covalent Fe-As (LaFeAsO, BaFe2As2 ) pnictides. We furthermore analyze the relative importance of different screening channels, with similar conclusions for the different pnictides but a somewhat different picture for the benchmark oxide SrVO3: the ligand channel does not appear to be dominant in the pnictides, while oxygen screening is the most important process in the oxide. Finally, we analyze the frequency dependence of the interaction. In contrast to simple oxides, in iron pnictides its functional form cannot be simply modeled by a single plasmon, and the actual density of modes enters the construction of an effective Hamiltonian determining the low-energy properties.

  11. Noncovalent interactions of a benzo[a]pyrene diol epoxide with DNA base pairs: insight into the formation of adducts of (+)-BaP DE-2 with DNA.

    Science.gov (United States)

    Hargis, Jacqueline C; Schaefer, Henry F; Houk, K N; Wheeler, Steven E

    2010-02-01

    Noncovalent complexes of a tumorigenic benzo[a]pyrene diol epoxide with the guanine-cytosine (GC) and adenine-thymine (AT) base pairs have been examined computationally. (+)-BaP DE-2 forms covalent adducts with DNA via nucleophilic attack on the (+)-BaP DE-2 epoxide. Computational results predict five thermodynamically accessible complexes of AT with (+)-BaP DE-2 that are compatible with intact DNA. Among these, two are expected to lead to adenine adducts. In the lowest energy AT...(+)-BaP DE-2 complex, which has a gas-phase interaction energy of -20.9 kcal mol(-1), the exocyclic NH(2) of adenine is positioned for backside epoxide attack and formation of a trans adduct. The most energetically favorable complex leading to formation of a cis ring-opened adduct lies only 0.6 kcal mol(-1) higher in energy. For GC...(+)-BaP DE-2, there are only two thermodynamically accessible complexes. The higher-lying complex, bound in the gas phase by 24.4 kcal mol(-1) relative to separated GC and (+)-BaP DE-2, would lead to a trans ring-opened N(2)-guanine adduct. In the global minimum energy GC...(+)-BaP DE-2 complex, bound by 27.3 kcal mol(-1), the exocyclic NH(2) group of cytosine is positioned for cis epoxide addition. However, adducts of (+)-BaP DE-2 with cytosine are rarely observed experimentally. The paucity of cytosine adducts, despite the predicted thermodynamic stability of this GC...(+)-BaP DE-2 complex, is attributed to the electrostatic destabilization of the benzylic cation intermediate thought to precede cis addition.

  12. ChIP-PIT: Enhancing the Analysis of ChIP-Seq Data Using Convex-Relaxed Pair-Wise Interaction Tensor Decomposition.

    Science.gov (United States)

    Zhu, Lin; Guo, Wei-Li; Deng, Su-Ping; Huang, De-Shuang

    2016-01-01

    In recent years, thanks to the efforts of individual scientists and research consortiums, a huge amount of chromatin immunoprecipitation followed by high-throughput sequencing (ChIP-seq) experimental data have been accumulated. Instead of investigating them independently, several recent studies have convincingly demonstrated that a wealth of scientific insights can be gained by integrative analysis of these ChIP-seq data. However, when used for the purpose of integrative analysis, a serious drawback of current ChIP-seq technique is that it is still expensive and time-consuming to generate ChIP-seq datasets of high standard. Most researchers are therefore unable to obtain complete ChIP-seq data for several TFs in a wide variety of cell lines, which considerably limits the understanding of transcriptional regulation pattern. In this paper, we propose a novel method called ChIP-PIT to overcome the aforementioned limitation. In ChIP-PIT, ChIP-seq data corresponding to a diverse collection of cell types, TFs and genes are fused together using the three-mode pair-wise interaction tensor (PIT) model, and the prediction of unperformed ChIP-seq experimental results is formulated as a tensor completion problem. Computationally, we propose efficient first-order method based on extensions of coordinate descent method to learn the optimal solution of ChIP-PIT, which makes it particularly suitable for the analysis of massive scale ChIP-seq data. Experimental evaluation the ENCODE data illustrate the usefulness of the proposed model.

  13. Volume dependence of the exchange interaction and Curie temperature in Co2MGa (M = Ti and Fe): A first-principles study

    Science.gov (United States)

    Liu, X. B.; Altounian, Z.

    2011-04-01

    Magnetic moment, exchange interaction and Curie temperature (TC) have been calculated for Co2TiGa and Co2FeGa by a first-principles density functional calculation combined with a linear response method. The exchange interaction is dominated by Co-Co pairs in Co2TiGa while that of Co2FeGa is mainly contributed by Fe-Co pairs. Based on the mean field multiple-sublattices model, the estimated TC is about 114 K for M = Ti and 1270 K for M = Fe, calculated with the experimental lattice constant, in good agreement with the experimental values (128 K and 1093 K for M = Ti and Fe, respectively). With increasing lattice constant, a, from 95% to 105% of the experimental value (aexp .), the moment per formula unit mf.u. changes from 0.43 μB to 1.0 μB and TC increases from 27 K to 142 K in Co2TiGa. However, mf.u. increases slightly from 4.98 μB to 5.40 μB while TC decreases from 1330 K to 1190 K with increasing a from 95% to 105% of aexp . in Co2FeGa. These different volume dependences of TC are ascribed to the weak ferromagnetism in Co2TiGa and the strong ferromagnetism in Co2FeGa.

  14. Efficacy of synaptic inhibition depends on multiple, dynamically interacting mechanisms implicated in chloride homeostasis.

    Directory of Open Access Journals (Sweden)

    Nicolas Doyon

    2011-09-01

    Full Text Available Chloride homeostasis is a critical determinant of the strength and robustness of inhibition mediated by GABA(A receptors (GABA(ARs. The impact of changes in steady state Cl(- gradient is relatively straightforward to understand, but how dynamic interplay between Cl(- influx, diffusion, extrusion and interaction with other ion species affects synaptic signaling remains uncertain. Here we used electrodiffusion modeling to investigate the nonlinear interactions between these processes. Results demonstrate that diffusion is crucial for redistributing intracellular Cl(- load on a fast time scale, whereas Cl(-extrusion controls steady state levels. Interaction between diffusion and extrusion can result in a somato-dendritic Cl(- gradient even when KCC2 is distributed uniformly across the cell. Reducing KCC2 activity led to decreased efficacy of GABA(AR-mediated inhibition, but increasing GABA(AR input failed to fully compensate for this form of disinhibition because of activity-dependent accumulation of Cl(-. Furthermore, if spiking persisted despite the presence of GABA(AR input, Cl(- accumulation became accelerated because of the large Cl(- driving force that occurs during spikes. The resulting positive feedback loop caused catastrophic failure of inhibition. Simulations also revealed other feedback loops, such as competition between Cl(- and pH regulation. Several model predictions were tested and confirmed by [Cl(-](i imaging experiments. Our study has thus uncovered how Cl(- regulation depends on a multiplicity of dynamically interacting mechanisms. Furthermore, the model revealed that enhancing KCC2 activity beyond normal levels did not negatively impact firing frequency or cause overt extracellular K(- accumulation, demonstrating that enhancing KCC2 activity is a valid strategy for therapeutic intervention.

  15. Phosphorylation-dependent interactions between Crb2 and Chk1 are essential for DNA damage checkpoint.

    Directory of Open Access Journals (Sweden)

    Meng Qu

    2012-07-01

    Full Text Available In response to DNA damage, the eukaryotic genome surveillance system activates a checkpoint kinase cascade. In the fission yeast Schizosaccharomyces pombe, checkpoint protein Crb2 is essential for DNA damage-induced activation of downstream effector kinase Chk1. The mechanism by which Crb2 mediates Chk1 activation is unknown. Here, we show that Crb2 recruits Chk1 to double-strand breaks (DSBs through a direct physical interaction. A pair of conserved SQ/TQ motifs in Crb2, which are consensus phosphorylation sites of upstream kinase Rad3, is required for Chk1 recruitment and activation. Mutating both of these motifs renders Crb2 defective in activating Chk1. Tethering Crb2 and Chk1 together can rescue the SQ/TQ mutations, suggesting that the main function of these phosphorylation sites is promoting interactions between Crb2 and Chk1. A 19-amino-acid peptide containing these SQ/TQ motifs is sufficient for Chk1 binding in vitro when one of the motifs is phosphorylated. Remarkably, the same peptide, when tethered to DSBs by fusing with either recombination protein Rad22/Rad52 or multi-functional scaffolding protein Rad4/Cut5, can rescue the checkpoint defect of crb2Δ. The Rad22 fusion can even bypass the need for Rad9-Rad1-Hus1 (9-1-1 complex in checkpoint activation. These results suggest that the main role of Crb2 and 9-1-1 in DNA damage checkpoint signaling is recruiting Chk1 to sites of DNA lesions.

  16. Probing the short range spin dependent interactions by polarized {sup 3}He atom beams

    Energy Technology Data Exchange (ETDEWEB)

    Yan, H. [China Academy of Engineering Physics, Institute of Nuclear Physics and Chemistry, Mianyang, Sichuan (China); Indiana University, Center for Exploration of Energy and Matter, Bloomington, IN (United States); Sun, G.A.; Gong, J.; Pang, B.B.; Wang, Y.; Yang, Y.W.; Zhang, J.; Zhang, Y. [China Academy of Engineering Physics, Institute of Nuclear Physics and Chemistry, Mianyang, Sichuan (China)

    2014-10-15

    Experiments using polarized {sup 3}He atom beams to search for short range spin dependent forces are proposed. High intensity, high polarization, small beam size {sup 3}He atom beams have been successfully produced and used in surface science researches. By incorporating background reduction designs as combination shielding by μ-metal and superconductor and double beam paths, the precision of spin rotation angle per unit length could be improved by a factor of ∝ 10{sup 4}. By this precision, in combination with a high density and low magnetic susceptibility sample source mass, and reversing one beam path if necessary, sensitivities on three different types of spin dependent interactions could be improved by as much as ∝ 10{sup 2} to ∝ 10{sup 8} over the current experiments at the millimeter range. (orig.)

  17. Enhancing Extraction of Drug-Drug Interaction from Literature Using Neutral Candidates, Negation, and Clause Dependency

    Science.gov (United States)

    Bokharaeian, Behrouz; Diaz, Alberto; Chitsaz, Hamidreza

    2016-01-01

    Motivation Supervised biomedical relation extraction plays an important role in biomedical natural language processing, endeavoring to obtain the relations between biomedical entities. Drug-drug interactions, which are investigated in the present paper, are notably among the critical biomedical relations. Thus far many methods have been developed with the aim of extracting DDI relations. However, unfortunately there has been a scarcity of comprehensive studies on the effects of negation, complex sentences, clause dependency, and neutral candidates in the course of DDI extraction from biomedical articles. Results Our study proposes clause dependency features and a number of features for identifying neutral candidates as well as negation cues and scopes. Furthermore, our experiments indicate that the proposed features significantly improve the performance of the relation extraction task combined with other kernel methods. We characterize the contribution of each category of features and finally conclude that neutral candidate features have the most prominent role among all of the three categories. PMID:27695078

  18. Pairing Learners in Pair Work Activity

    Science.gov (United States)

    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…

  19. Inner-shell ionization of rotating linear molecules in the presence of spin-dependent interactions: Entanglement between a photoelectron and an auger electron

    Science.gov (United States)

    Ghosh, R.; Chandra, N.; Parida, S.

    2009-03-01

    This paper reports results of a theoretical study of angle- and spin-resolved photo-Auger electron coincident spectroscopy in the form of entanglement between these two particles emitted from a linear molecule. First, we develop an expression for a density matrix needed for studying spin-entanglement between a photoelectron and an Auger electron. In order to properly represent the molecular symmetries, nuclear rotation, and the spin-dependent interactions (SDIs), we have used symmetry adapted wavefunctions in Hund’s coupling scheme (a) for all the species participating in this two-step process. This expression shows that spin-entanglement in a photo-Auger electron pair in the presence of SDIs very strongly depends upon, among other things, polarization of the ionizing radia- tion, directions of motion and of spin polarization of two ejected electrons, and the dynamics of photoionization and of Auger decay. We have applied this expression, as an example, to a generic linear molecule in its J0, M0 = 0 state. This model calculation clearly brings out the salient features of the spin-entanglement of a photo-Auger electron pair in the presence of the SDIs.

  20. Inner-shell ionization of rotating linear molecules in the presence of spin-dependent interactions: Entanglement between a photoelectron and an Auger electron

    Energy Technology Data Exchange (ETDEWEB)

    Ghosh, R.; Chandra, N.; Parida, S. [Indian Institute of Technology, Dept. of Physics and Meteorology, Kharagpur (India)

    2009-03-15

    This paper reports results of a theoretical study of angle- and spin-resolved photo-Auger electron coincident spectroscopy in the form of entanglement between these two particles emitted from a linear molecule. First, we develop an expression for a density matrix needed for studying spin-entanglement between a photoelectron and an Auger electron. In order to properly represent the molecular symmetries, nuclear rotation, and the spin-dependent interactions (SDIs), we have used symmetry adapted wavefunctions in Hund's coupling scheme (a) for all the species participating in this two-step process. This expression shows that spin-entanglement in a photo-Auger electron pair in the presence of SDIs very strongly depends upon, among other things, polarization of the ionizing radiation, directions of motion and of spin polarization of two ejected electrons, and the dynamics of photoionization and of Auger decay. We have applied this expression, as an example, to a generic linear molecule in its J{sub 0}, M{sub 0} = 0 state. This model calculation clearly brings out the salient features of the spin-entanglement of a photo-Auger electron pair in the presence of the SDIs. (authors)

  1. Personalized smoking cessation: interactions between nicotine dose, dependence and quit-success genotype score.

    Science.gov (United States)

    Rose, Jed E; Behm, Frédérique M; Drgon, Tomas; Johnson, Catherine; Uhl, George R

    2010-01-01

    Improving and targeting nicotine replacement therapy (NRT) are cost-effective strategies for reducing adverse health consequences for smokers. Treatment studies document the efficacy of precessation NRT and support important roles for level of nicotine dependence and precessation smoking reduction in successful quitting. However, prior work has not identified the optimal precessation dose or means for personalizing NRT. Genome-wide association has identified groups of genomic markers associated with successful quitting, allowing us to develop a v1.0 "quit-success" genotype score. We now report influences of v1.0 quit-success genotype score, level of dependence and precessation smoking reduction in a smoking cessation trial that examined effects of 21 versus 42 mg/24 h precessation NRT. Four hundred seventy-nine smokers were randomized to 21 or 42 mg NRT, initiated 2 wks prior to target quit dates. We monitored self-reported abstinence and end-expired air carbon monoxide (CO). Genotyping used Affymetrix arrays (Santa Clara, CA, USA). The primary outcome was 10-wk continuous smoking abstinence. NRT dose, level of nicotine dependence and genotype scores displayed significant interactive effects on successful quitting. Successful abstinence also was predicted by CO reductions during precessation NRT. These results document ways in which smoking cessation strategies can be personalized based on levels of nicotine dependence, genotype scores and CO monitoring. These assessments, taken together, can help match most smokers with optimal NRT doses and help rapidly identify some who may be better treated using other methods.

  2. Scale-dependent effects of habitat area on species interaction networks: invasive species alter relationships

    Directory of Open Access Journals (Sweden)

    Sugiura Shinji

    2012-07-01

    Full Text Available Abstract Background The positive relationship between habitat area and species number is considered a fundamental rule in ecology. This relationship predicts that the link number of species interactions increases with habitat area, and structure is related to habitat area. Biological invasions can affect species interactions and area relationships. However, how these relationships change at different spatial scales has remained unexplored. We analysed understory plant–pollinator networks in seven temperate forest sites at 20 spatial scales (radius 120–2020 m to clarify scale-associated relationships between forest area and plant–pollinator networks. Results The pooled data described interactions between 18 plant (including an exotic and 89 pollinator (including an exotic species. The total number of species and the number of interaction links between plant and pollinator species were negatively correlated with forest area, with the highest correlation coefficient at radii of 1520 and 1620 m, respectively. These results are not concordant with the pattern predicted by species–area relationships. However, when associations with exotic species were excluded, the total number of species and the number of interaction links were positively correlated with forest area (the highest correlation coefficient at a radius of 820 m. The network structure, i.e., connectance and nestedness, was also related to forest area (the highest correlation coefficients at radii of 720–820 m, when associations with exotics were excluded. In the study area, the exotic plant species Alliaria petiolata, which has invaded relatively small forest patches surrounded by agricultural fields, may have supported more native pollinator species than initially expected. Therefore, this invasive plant may have altered the original relationships between forest area and plant–pollinator networks. Conclusions Our results demonstrate scale-dependent effects of forest

  3. Gli1/DNA interaction is a druggable target for Hedgehog-dependent tumors.

    Science.gov (United States)

    Infante, Paola; Mori, Mattia; Alfonsi, Romina; Ghirga, Francesca; Aiello, Federica; Toscano, Sara; Ingallina, Cinzia; Siler, Mariangela; Cucchi, Danilo; Po, Agnese; Miele, Evelina; D'Amico, Davide; Canettieri, Gianluca; De Smaele, Enrico; Ferretti, Elisabetta; Screpanti, Isabella; Uccello Barretta, Gloria; Botta, Maurizio; Botta, Bruno; Gulino, Alberto; Di Marcotullio, Lucia

    2015-01-13

    Hedgehog signaling is essential for tissue development and stemness, and its deregulation has been observed in many tumors. Aberrant activation of Hedgehog signaling is the result of genetic mutations of pathway components or other Smo-dependent or independent mechanisms, all triggering the downstream effector Gli1. For this reason, understanding the poorly elucidated mechanism of Gli1-mediated transcription allows to identify novel molecules blocking the pathway at a downstream level, representing a critical goal in tumor biology. Here, we clarify the structural requirements of the pathway effector Gli1 for binding to DNA and identify Glabrescione B as the first small molecule binding to Gli1 zinc finger and impairing Gli1 activity by interfering with its interaction with DNA. Remarkably, as a consequence of its robust inhibitory effect on Gli1 activity, Glabrescione B inhibited the growth of Hedgehog-dependent tumor cells in vitro and in vivo as well as the self-renewal ability and clonogenicity of tumor-derived stem cells. The identification of the structural requirements of Gli1/DNA interaction highlights their relevance for pharmacologic interference of Gli signaling.

  4. Dependence of magnetization on crystal fields and exchange interactions in magnetite

    Energy Technology Data Exchange (ETDEWEB)

    Ouaissa, Mohamed, E-mail: m.ouaissa@yahoo.fr [Laboratoire de Génie Physique et Environnement, Faculté des Sciences, Université Ibn Tofail, Campus Universitaire BP 133, Kénitra 14000 (Morocco); Benyoussef, Abdelilah [Laboratory of Magnetism and Physics of High Energy, Faculty of Science, Mohammed V-Agdal University, Rabat (Morocco); Abo, Gavin S. [Department of Electrical and Computer Engineering and MINT Center, The University of Alabama, Tuscaloosa, AL 35487 (United States); Ouaissa, Samia; Hafid, Mustapha [Laboratoire de Génie Physique et Environnement, Faculté des Sciences, Université Ibn Tofail, Campus Universitaire BP 133, Kénitra 14000 (Morocco); Belaiche, Mohammed [Laboratoire de Magnétisme, Matériaux Magnétiques, Microonde et Céramique, Ecole Normale Supérieure, Université Mohammed V-Agdal, B.P. 9235, Océan, Rabat (Morocco)

    2015-11-15

    In this work, we study the magnetization of magnetite (Fe{sub 3}O{sub 4}) with different exchange interactions and crystal fields using variational method based on the Bogoliubov inequality for the Gibbs free energy within the mean field theory. The magnetic behavior was investigated in the absence and presence of crystal fields. The investigations also revealed that the transition temperature depends on the crystal fields of the octahedral and tetrahedral sites. Magnetite exhibits ferrimagnetic phase with second order transition to paramagnetic phase at 850 K. This result is confirmed using the mean field theory within the Heisenberg model. Important factors that can affect the magnetic behavior of the system are exchange interactions and crystal field. Indeed, a new magnetic behavior was observed depending on these parameters. A first order phase transition from ferrimagnetic to ferromagnetic was found at low temperature, and a second order transition from ferromagnetic to paramagnetic was observed at high temperature. - Highlights: • Magnetization of magnetite versus temperature was studied by mean field theory. • The critical temperature of magnetite (Fe{sub 3}O{sub 4}) was approximately obtained. • Effect of sublattice crystal fields on the magnetization of Fe{sub 3}O{sub 4} was investigated.

  5. Ku80 interaction with apurinic/apyrimidinic sites depends on the structure of DNA ends

    Directory of Open Access Journals (Sweden)

    Kosova A. A.

    2014-01-01

    Full Text Available Aim. The identification of a protein from human cell extract which specifically interacts with the apurinic/apyrimidinic (AP site in the partial DNA duplex containing 5'and 3'-dangling ends (DDE-AP DNA and mimicking clustered DNA damage. Methods. The Schiff base-dependent cross-linking of a protein to AP DNA (borohydride trapping, MALDI-TOF-MS, chromatography, and gel electrophoresis. Results. A human cell extract protein which forms a major covalent adduct with the AP DNA duplex with dangling ends was identified as the Ku80 subunit of Ku antigen by peptide mass mapping based on MALDI-TOF-MS data. The Ku antigen purified from the HeLa cell extract was shown to form the covalent adducts with the same mobility as observed in cell extracts. Conclusions. The Ku80 subunit of Ku antigen can specifically interact with AP DNA forming the Schiff base-mediated adducts which electrophoretic mobility depends on the structure of DNA ends. The difference in electrophoretic mobility can be caused by the cross-linking of AP DNA to distinct target amino acids that appears to reflect unequal positioning of AP DNAs in the complex with Ku antigen.

  6. Cortical Representations of Cognitive Control and Working Memory Are Dependent Yet Non-Interacting.

    Science.gov (United States)

    Harding, Ian H; Harrison, Ben J; Breakspear, Michael; Pantelis, Christos; Yücel, Murat

    2016-02-01

    Cognitive control (CC) and working memory (WM) are concurrently necessary for adaptive human behavior. These processes are thought to rely on similar neural mechanisms, yet little is known of the potential competitive or cooperative brain dynamics that support their concurrent engagement during complex behavioral tasks. Here, statistical interactions (synergy/competition) and dependencies (correlations) in brain function related to CC and WM were measured using functional magnetic resonance imaging. Twenty-five healthy adults performed a novel factorial cognitive paradigm, in which a 2-back verbal WM task was combined with the multisource interference task. Overlapping main effects in neural activation were evident in all regions of the "cognitive control network," together with robust behavioral main effects. However, no significant behavioral or cortical interaction effects were apparent. Conversely, robust positive correlations between the 2 main effects were evident within many components of the network. The results offer robust evidence that the neural representations of WM and CC are statistically dependent, but do not compete. These findings support the notion that CC and WM demands may be dynamically and flexibly encoded within a common brain network to support the efficient production of adaptive behavior across diverse task contexts.

  7. Time-dependent configuration-interaction calculations of laser-driven dynamics in presence of dissipation.

    Science.gov (United States)

    Tremblay, Jean Christophe; Klamroth, Tillmann; Saalfrank, Peter

    2008-08-28

    Correlated, multielectron dynamics of "open" electronic systems within the fixed-nuclei approximation are treated here within explicitly time-dependent configuration-interaction schemes. Specifically, we present simulations of laser-pulse driven excitations of selected electronic states of LiCN in the presence of energy and phase relaxation. The evolution of the system is studied using open-system density matrix theory, which embeds naturally in the time-dependent configuration-interaction singles (doubles) formalism. Different models for dissipation based on the Lindblad semigroup formalism are presented. These models give rise to lifetimes for energy relaxation ranging from a few hundreds of femtoseconds to several nanoseconds. Pure dephasing is treated using a Kossakowski-like Gaussian model, proceeding on similar time scales. The pulse lengths employed range from very short (tens of femtoseconds) to very long (several nanoseconds). To make long-time propagations tractable, the quasiresonant approximation is used. The results show that despite the loss of efficiency, selective dipole switching can still be achieved in the presence of dissipation when using appropriately designed laser pulses.

  8. DNA interactions with a Methylene Blue redox indicator depend on the DNA length and are sequence specific.

    Science.gov (United States)

    Farjami, Elaheh; Clima, Lilia; Gothelf, Kurt V; Ferapontova, Elena E

    2010-06-01

    A DNA molecular beacon approach was used for the analysis of interactions between DNA and Methylene Blue (MB) as a redox indicator of a hybridization event. DNA hairpin structures of different length and guanine (G) content were immobilized onto gold electrodes in their folded states through the alkanethiol linker at the 5'-end. Binding of MB to the folded hairpin DNA was electrochemically studied and compared with binding to the duplex structure formed by hybridization of the hairpin DNA to a complementary DNA strand. Variation of the electrochemical signal from the DNA-MB complex was shown to depend primarily on the DNA length and sequence used: the G-C base pairs were the preferential sites of MB binding in the duplex. For short 20 nts long DNA sequences, the increased electrochemical response from MB bound to the duplex structure was consistent with the increased amount of bound and electrochemically readable MB molecules (i.e. MB molecules that are available for the electron transfer (ET) reaction with the electrode). With longer DNA sequences, the balance between the amounts of the electrochemically readable MB molecules bound to the hairpin DNA and to the hybrid was opposite: a part of the MB molecules bound to the long-sequence DNA duplex seem to be electrochemically mute due to long ET distance. The increasing electrochemical response from MB bound to the short-length DNA hybrid contrasts with the decreasing signal from MB bound to the long-length DNA hybrid and allows an "off"-"on" genosensor development.

  9. A genome-wide linkage analysis for the personality trait neuroticism in the Irish affected sib-pair study of alcohol dependence.

    Science.gov (United States)

    Kuo, Po-Hsiu; Neale, Michael C; Riley, Brien P; Patterson, Diana G; Walsh, Dermot; Prescott, Carol A; Kendler, Kenneth S

    2007-06-05

    Neuroticism is a personality trait which reflects individual differences in emotional stability and vulnerability to stress and anxiety. Consistent evidence shows substantial genetic influences on variation in this trait. The present study seeks to identify regions containing susceptibility loci for neuroticism using a selected sib-pair sample from Ireland. Using Merlin regress, we conducted a 4 cM whole-genome linkage analysis on 714 sib-pairs. Evidence for linkage to neuroticism was found on chromosomes 11p, 12q, and 15q. The highest linkage peak was on 12q at marker D12S1638 with a Lod score of 2.13 (-log p = 2.76, empirical P-value neuroticism, with male specific linkage regions on chromosomes 1, 4, 11, 12, 15, 16, and 22, and female specific linkage regions on chromosomes 2, 4, 9, 12, 13, and 18. Some genome regions reported in the present study replicate findings from previous linkage studies of neuroticism. These results, together with prior studies, indicate several potential regions for quantitative trait loci for neuroticism that warrant further study.

  10. GlyphLens: View-Dependent Occlusion Management in the Interactive Glyph Visualization.

    Science.gov (United States)

    Tong, Xin; Li, Cheng; Shen, Han-Wei

    2017-01-01

    Glyph as a powerful multivariate visualization technique is used to visualize data through its visual channels. To visualize 3D volumetric dataset, glyphs are usually placed on 2D surface, such as the slicing plane or the feature surface, to avoid occluding each other. However, the 3D spatial structure of some features may be missing. On the other hand, placing large number of glyphs over the entire 3D space results in occlusion and visual clutter that make the visualization ineffective. To avoid the occlusion, we propose a view-dependent interactive 3D lens that removes the occluding glyphs by pulling the glyphs aside through the animation. We provide two space deformation models and two lens shape models to displace the glyphs based on their spatial distributions. After the displacement, the glyphs around the user-interested region are still visible as the context information, and their spatial structures are preserved. Besides, we attenuate the brightness of the glyphs inside the lens based on their depths to provide more depth cue. Furthermore, we developed an interactive glyph visualization system to explore different glyph-based visualization applications. In the system, we provide a few lens utilities that allows users to pick a glyph or a feature and look at it from different view directions. We compare different display/interaction techniques to visualize/manipulate our lens and glyphs.

  11. Kinetochore-Dependent Microtubule Rescue Ensures Their Efficient and Sustained Interactions in Early Mitosis

    Science.gov (United States)

    Gandhi, Sapan R.; Gierliński, Marek; Mino, Akihisa; Tanaka, Kozo; Kitamura, Etsushi; Clayton, Lesley; Tanaka, Tomoyuki U.

    2011-01-01

    Summary How kinetochores regulate microtubule dynamics to ensure proper kinetochore-microtubule interactions is unknown. Here, we studied this during early mitosis in Saccharomyces cerevisiae. When a microtubule shrinks and its plus end reaches a kinetochore bound to its lateral surface, the microtubule end attempts to tether the kinetochore. This process often fails and, responding to this failure, microtubule rescue (conversion from shrinkage to growth) occurs, preventing kinetochore detachment from the microtubule end. This rescue is promoted by Stu2 transfer (ortholog of vertebrate XMAP215/ch-TOG) from the kinetochore to the microtubule end. Meanwhile, microtubule rescue distal to the kinetochore is also promoted by Stu2, which is transported by a kinesin-8 motor Kip3 along the microtubule from the kinetochore. Microtubule extension following rescue facilitates interaction with other widely scattered kinetochores, diminishing long delays in collecting the complete set of kinetochores by microtubules. Thus, kinetochore-dependent microtubule rescue ensures efficient and sustained kinetochore-microtubule interactions in early mitosis. PMID:22075150

  12. Learning a novel phonological contrast depends on interactions between individual differences and training paradigm design.

    Science.gov (United States)

    Perrachione, Tyler K; Lee, Jiyeon; Ha, Louisa Y Y; Wong, Patrick C M

    2011-07-01

    Studies evaluating phonological contrast learning typically investigate either the predictiveness of specific pretraining aptitude measures or the efficacy of different instructional paradigms. However, little research considers how these factors interact--whether different students learn better from different types of instruction--and what the psychological basis for any interaction might be. The present study demonstrates that successfully learning a foreign-language phonological contrast for pitch depends on an interaction between individual differences in perceptual abilities and the design of the training paradigm. Training from stimuli with high acoustic-phonetic variability is generally thought to improve learning; however, we found high-variability training enhanced learning only for individuals with strong perceptual abilities. Learners with weaker perceptual abilities were actually impaired by high-variability training relative to a low-variability condition. A second experiment assessing variations on the high-variability training design determined that the property of this learning environment most detrimental to perceptually weak learners is the amount of trial-by-trial variability. Learners' perceptual limitations can thus override the benefits of high-variability training where trial-by-trial variability in other irrelevant acoustic-phonetic features obfuscates access to the target feature. These results demonstrate the importance of considering individual differences in pretraining aptitudes when evaluating the efficacy of any speech training paradigm. © 2011 Acoustical Society of America

  13. An interactive graphical tool for exploring sequential dependencies in categorical data

    Energy Technology Data Exchange (ETDEWEB)

    Fitzgerald, M.

    1997-12-31

    As monitoring and data storage devices have become cheaper and more readily available, it has become common practice to establish automated monitoring processes which collect enormous amounts of data. For example, in a waste storage facility, waste from several different sources may be combined and stored in a single storage container. Within this unit, many different types of chemical and microbiological reactions may take place over the course of time, not all of which are completely understood. Thus, it is important to monitor the levels of several different chemical compounds within the system, in order to ensure that the waste is being stored safely. The monitoring devices record any anomalous behavior of the system, such as when the presence of a certain chemical compound exceeds some prescribed expectation, the pressure within the container increases beyond a tolerance threshold, the temperature drops more than .5{degree}, etc. These monitoring systems may thus collect large quantities of data in fairly short periods of time. The challenge is then to utilize these massive data sets to bring about an understanding of the process and discover potential avenues of intervention. This report describes an interactive graphical tool, written in XLISP-STAT, for exploratory data analysis of dependencies in sequences of categorical data. Both global and local views of the dependency structure can be insightful, and allowing the user the flexibility to change critical parameters and switch between views in a simple, interactive, point-and-click environment can make the task of exploring dependencies among a large number of categories feasible and lead to a better understanding of the sequential properties of the data.

  14. State-dependent blocker interactions with the CFTR chloride channel: implications for gating the pore.

    Science.gov (United States)

    Linsdell, Paul

    2014-12-01

    Chloride permeation through the cystic fibrosis transmembrane conductance regulator (CFTR) Cl(-) channel is subject to voltage-dependent open-channel block by a diverse range of cytoplasmic anions. However, in most cases the ability of these blocking substances to influence the pore opening and closing process has not been reported. In the present work, patch clamp recording was used to investigate the state-dependent block of CFTR by cytoplasmic Pt(NO2)4(2-) ions. Two major effects of Pt(NO2)4(2-) were identified. First, this anion caused fast, voltage-dependent block of open channels, leading to an apparent decrease in single-channel current amplitude. Secondly, Pt(NO2)4(2-) also decreased channel open probability due to an increase in interburst closed times. Interestingly, mutations in the pore that weakened (K95Q) or strengthened (I344K, V345K) interactions with Pt(NO2)4(2-) altered blocker effects both on Cl(-) permeation and on channel gating, suggesting that both these effects are a consequence of Pt(NO2)4(2-) interaction with a single site within the pore. Experiments at reduced extracellular Cl(-) concentration hinted that Pt(NO2)4(2-) may have a third effect, possibly increasing channel activity by interfering with channel closure. These results suggest that Pt(NO2)4(2-) can enter from the cytoplasm into the pore inner vestibule of both open and closed CFTR channels, and that Pt(NO2)4(2-) bound in the inner vestibule blocks Cl(-) permeation as well as interfering with channel opening and, perhaps, channel closure. Implications for the location of the channel gate in the pore, and the operation of this gate, are discussed.

  15. Excited cooper pairs

    Energy Technology Data Exchange (ETDEWEB)

    Lopez-Arrietea, M. G.; Solis, M. A.; De Llano, M. [Universidad Nacional Autonoma de Mexico, Mexico, D.F (Mexico)

    2001-02-01

    Excited cooper pairs formed in a many-fermion system are those with nonzero total center-of mass momentum (CMM). They are normally neglected in the standard Bardeen-Cooper-Schrieffer (BCS) theory of superconductivity for being too few compared with zero CMM pairs. However, a Bose-Einstein condensation picture requires both zero and nonzero CMM pairs. Assuming a BCS model interaction between fermions we determine the populations for all CMM values of Cooper pairs by actually calculating the number of nonzero-CMM pairs relative to that of zero-CMM ones in both 2D and 3D. Although this ratio decreases rapidly with CMM, the number of Cooper pairs for any specific CMM less than the maximum (or breakup of the pair) momentum turns out to be typically larger than about 95% of those with zero-CMM at zero temperature T. Even at T {approx}100 K this fraction en 2D is still as large as about 70% for typical quasi-2D cuprate superconductor parameters. [Spanish] Los pares de cooper excitados formados en un sistema de muchos electrones, son aquellos con momentos de centro de masa (CMM) diferente de cero. Normalmente estos no son tomados en cuenta en la teoria estandar de la superconductividad de Bardeen-Cooper-Schrieffer (BCS) al suponer que su numero es muy pequeno comparados con los pares de centro de masa igual a cero. Sin embargo, un esquema de condensacion Bose-Einstein requiere de ambos pares, con CMM cero y diferente de cero. Asumiendo una interaccion modelo BCS entre los fermiones, determinamos la poblacion de pares cooper con cada uno de todos los posibles valores del CMM calculando el numero de pares con momentos de centro de masa diferente de cero relativo a los pares de CMM igual a cero, en 2D y 3D. Aunque esta razon decrece rapidamente con el CMM, el numero de pares de cooper para cualquier CMM especifico menor que el momento maximo (o rompimiento de par) es tipicamente mas grande que el 95% de aquellos con CMM cero. Aun a T {approx}100 K esta fraccion en 2D es

  16. Driven quantum tunneling and pair creation with graphene Landau levels

    CERN Document Server

    Gagnon, Denis; Dumont, Joey; Lefebvre, Catherine; MacLean, Steve

    2016-01-01

    Driven tunneling between graphene Landau levels is theoretically linked to the process of pair creation from vacuum, a prediction of quantum electrodynamics (QED). Landau levels are created by the presence of a strong, constant, quantizing magnetic field perpendicular to a graphene mono-layer. Following the formal analogy between QED and the description of low-energy excitations in graphene, solutions of the fully interacting Dirac equation are used to compute electron-hole pair creation driven by a circularly or linearly polarized field. This is achieved via the coupled channel method, a numerical scheme for the solution of the time-dependent Dirac equation in the presence of bound states. The case of a monochromatic driving field is first considered, followed by the more realistic case of a pulsed excitation. We show that the pulse duration yields an experimental control parameter over the maximal pair yield. Orders of magnitude of the pair yield are given for experimentally achievable magnetic fields and l...

  17. Biotic interactions overrule plant responses to climate, depending on the species' biogeography.

    Directory of Open Access Journals (Sweden)

    Astrid Welk

    Full Text Available This study presents an experimental approach to assess the relative importance of climatic and biotic factors as determinants of species' geographical distributions. We asked to what extent responses of grassland plant species to biotic interactions vary with climate, and to what degree this variation depends on the species' biogeography. Using a gradient from oceanic to continental climate represented by nine common garden transplant sites in Germany, we experimentally tested whether congeneric grassland species of different geographic distribution (oceanic vs. continental plant range type responded differently to combinations of climate, competition and mollusc herbivory. We found the relative importance of biotic interactions and climate to vary between the different components of plant performance. While survival and plant height increased with precipitation, temperature had no effect on plant performance. Additionally, species with continental plant range type increased their growth in more benign climatic conditions, while those with oceanic range type were largely unable to take a similar advantage of better climatic conditions. Competition generally caused strong reductions of aboveground biomass and growth. In contrast, herbivory had minor effects on survival and growth. Against expectation, these negative effects of competition and herbivory were not mitigated under more stressful continental climate conditions. In conclusion we suggest variation in relative importance of climate and biotic interactions on broader scales, mediated via species-specific sensitivities and factor-specific response patterns. Our results have important implications for species distribution models, as they emphasize the large-scale impact of biotic interactions on plant distribution patterns and the necessity to take plant range types into account.

  18. Size-dependent interaction of silica nanoparticles with lysozyme and bovine serum albumin proteins

    Science.gov (United States)

    Yadav, Indresh; Aswal, Vinod K.; Kohlbrecher, Joachim

    2016-05-01

    The interaction of three different sized (diameter 10, 18, and 28 nm) anionic silica nanoparticles with two model proteins—cationic lysozyme [molecular weight (MW) 14.7 kDa)] and anionic bovine serum albumin (BSA) (MW 66.4 kDa) has been studied by UV-vis spectroscopy, dynamic light scattering (DLS), and small-angle neutron scattering (SANS). The adsorption behavior of proteins on the nanoparticles, measured by UV-vis spectroscopy, is found to be very different for lysozyme and BSA. Lysozyme adsorbs strongly on the nanoparticles and shows exponential behavior as a function of lysozyme concentration irrespective of the nanoparticle size. The total amount of adsorbed lysozyme, as governed by the surface-to-volume ratio, increases on lowering the size of the nanoparticles for a fixed volume fraction of the nanoparticles. On the other hand, BSA does not show any adsorption for all the different sizes of the nanoparticles. Despite having different interactions, both proteins induce similar phase behavior where the nanoparticle-protein system transforms from one phase (clear) to two phase (turbid) as a function of protein concentration. The phase behavior is modified towards the lower concentrations for both proteins with increasing the nanoparticle size. DLS suggests that the phase behavior arises as a result of the nanoparticles' aggregation on the addition of proteins. The size-dependent modifications in the interaction potential, responsible for the phase behavior, have been determined by SANS data as modeled using the two-Yukawa potential accounting for the repulsive and attractive interactions in the systems. The protein-induced interaction between the nanoparticles is found to be short-range attraction for lysozyme and long-range attraction for BSA. The magnitude of attractive interaction irrespective of protein type is enhanced with increase in the size of the nanoparticles. The total (attractive+repulsive) potential leading to two-phase formation is found to be

  19. Specific spin-correlation dependent magnetic field effects on radical pairs photo-generated by electron transfer from biphenyl to phenyl-pyrilium salts in micelle

    Science.gov (United States)

    Parui, Partha Pratim; Manoj, N.; Banerjee, Sudip; Chowdhury, Mihir

    2009-09-01

    We have studied the magnetic field effects (MFEs) on photo-generated various geminate phenyl-pyrilium/biphenyl radical pair (PP rad /BP + rad ) of variable singlet/triplet spin-correlations within SDS micelle. When RPs are produced largely with singlet spin-correlation, the MFEs have been observed in two different time domains. It consists of both the initial ( t = 0) decrease of radical yield with field, considering nanosecond phenomenon, and comparatively slow microsecond MFE. However, the RPs of relatively lower singlet spin-correlation shows only slow μs behavior, which may indicate that only singlet spin-state is responsible for exhibiting initial stage MFEs. A kinetic scheme, based on Pedersen's 'super-cage model' for two-stage RP reaction in micelle, has been proposed for analysis.

  20. Protein-nanoparticle interactions: the effects of surface compositional and structural heterogeneity are scale dependent

    Science.gov (United States)

    Huang, Rixiang; Carney, Randy P.; Stellacci, Francesco; Lau, Boris L. T.

    2013-07-01

    Nanoparticles (NPs) in the biological environment are exposed to a large variety and concentration of proteins. Proteins are known to adsorb in a `corona' like structure on the surface of NPs. In this study, we focus on the effects of surface compositional and structural heterogeneity on protein adsorption by examining the interaction of self-assembled monolayer coated gold NPs (AuNPs) with two types of proteins: ubiquitin and fibrinogen. This work was designed to systematically investigate the role of surface heterogeneity in nanoparticle-protein interaction. We have chosen the particles as well as the proteins to provide different types (in distribution and length-scale) of heterogeneity. The goal was to unveil the role of heterogeneity and of its length-scale in the particle-protein interaction. Dynamic light scattering and circular dichroism spectroscopy were used to reveal different interactions at pH above and below the isoelectric points of the proteins, which is related to the charge heterogeneity on the protein surface. At pH 7.4, there was only a monolayer of proteins adsorbed onto the NPs and the secondary structure of proteins remained intact. At pH 4.0, large aggregates of nanoparticle-protein complexes were formed and the secondary structures of the proteins were significantly disrupted. In terms of interaction thermodynamics, results from isothermal titration calorimetry showed that ubiquitin adsorbed differently onto (1) AuNPs with charged and nonpolar terminals organized into nano-scale structure (66-34 OT), (2) AuNPs with randomly distributed terminals (66-34 brOT), and (3) AuNPs with homogeneously charged terminals (MUS). This difference in adsorption behavior was not observed when AuNPs interacted with fibrinogen. The results suggested that the interaction between the proteins and AuNPs was influenced by the surface heterogeneity on the AuNPs, and this influence depends on the scale of surface heterogeneity and the size of the proteins

  1. Scale-Dependent Fracture-Matrix Interactions And Their Impact on Radionuclide Transport - Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Detwiler, Russell

    2014-06-30

    Matrix diffusion and adsorption within a rock matrix are widely regarded as important mechanisms for retarding the transport of radionuclides and other solutes in fractured rock (e.g., Neretnieks, 1980; Tang et al., 1981; Maloszewski and Zuber, 1985; Novakowski and Lapcevic, 1994; Jardine et al., 1999; Zhou and Xie, 2003; Reimus et al., 2003a,b). When remediation options are being evaluated for old sources of contamination, where a large fraction of contaminants reside within the rock matrix, slow diffusion out of the matrix greatly increases the difficulty and timeframe of remediation. Estimating the rates of solute exchange between fractures and the adjacent rock matrix is a critical factor in quantifying immobilization and/or remobilization of DOE-relevant contaminants within the subsurface. In principle, the most rigorous approach to modeling solute transport with fracture-matrix interaction would be based on local-scale coupled advection-diffusion/dispersion equations for the rock matrix and in discrete fractures that comprise the fracture network (Discrete Fracture Network and Matrix approach, hereinafter referred to as DFNM approach), fully resolving aperture variability in fractures and matrix property heterogeneity. However, such approaches are computationally demanding, and thus, many predictive models rely upon simplified models. These models typically idealize fracture rock masses as a single fracture or system of parallel fractures interacting with slabs of porous matrix or as a mobile-immobile or multi-rate mass transfer system. These idealizations provide tractable approaches for interpreting tracer tests and predicting contaminant mobility, but rely upon a fitted effective matrix diffusivity or mass-transfer coefficients. However, because these fitted parameters are based upon simplified conceptual models, their effectiveness at predicting long-term transport processes remains uncertain. Evidence of scale dependence of effective matrix diffusion

  2. Evacuation dynamics of asymmetrically coupled pedestrian pairs

    CERN Document Server

    Müller, Frank

    2016-01-01

    We propose and analyze extended floor field cellular automaton models for evacuation dynamics of inhomogeneous pedestrian pairs which are coupled by asymmetric group interactions. Such pairs consist of a leader, who mainly determines the couple's motion and a follower, who has a defined tendency to follow the leader. Examples for such pairs are mother and child or two siblings of different age. We examine the system properties and compare them to the case of a homogeneous crowd. We find a strong impact on evacuation times for the regime of strong pair coupling due to the occurrence of a clogging phenomenon. In addition we obtain a non-trivial dependence of evacuation times on the followers' coupling to the static floor field, which carries the information of the shortest way to the exit location. In particular we find that systems with fully passive followers, who are solely coupled to their leaders, show lower evacuation times than homogeneous systems where all pedestrians have an equal tendency to move towa...

  3. Age-Related Enhancement of a Protein Synthesis-Dependent Late Phase of LTP Induced by Low Frequency Paired-Pulse Stimulation in Hippocampus

    Science.gov (United States)

    Huang, Yan-You; Kandel, Eric R.

    2006-01-01

    Protein synthesis-dependent late phase of LTP (L-LTP) is typically induced by repeated high-frequency stimulation (HFS). This form of L-LTP is reduced in the aged animal and is positively correlated with age-related memory loss. Here we report a novel form of protein synthesis-dependent late phase of LTP in the CA1 region of hippocampus induced by…

  4. Searching for Pair Halos

    Science.gov (United States)

    Fallon, Lisa; Abramowski, A.; Acero, F.; Aharonian, F.; Akhperjanian, A. G.; Anton, G.; Barres de Almeida, U.; Bazer-Bachi, A. R.; Becherini, Y.; Behera, B.; Bernlühr, K.; Bochow, A.; Boisson, C.; Bolmont, J.; Borrel, V.; Brucker, J.; Brun, F.; Brun, P.; Bühler, R.; Bulik, T.; Büsching, I.; Boutelier, T.; Chadwick, P. M.; Charbonnier, A.; Chaves, R. C. G.; Cheesebrough, A.; Conrad, J.; Chounet, L.-M.; Clapson, A. C.; Coignet, G.; Dalton, M.; Daniel, M. K.; Davids, I. D.; Degrange, B.; Deil, C.; Dickinson, H. J.; Domainko, A. Djannati-Ataü W.; Drury, L. O'c.; Dubois, F.; Dubus, G.; Dyks, J.; Dyrda, M.; Egberts, K.; Eger, P.; Espigat, P.; Fallon, L.; Farnier, C.; Fegan, S.; Feinstein, F.; Fernandes, M. V.; Fiasson, A.; Fürster, A.; Fontaine, G.; Füssling, M.; Gabici, S.; Gallant, Y. A.; Gérard, L.; Gerbig, D.; Giebels, B.; Glicenstein, J. F.; Glück, B.; Goret, P.; Güring, D.; Hampf, D.; Hauser, M.; Heinz, S.; Heinzelmann, G.; Henri, G.; Hermann, G.; Hinton, J. A.; Hoffmann, A.; Hofmann, W.; Hofverberg, P.; Holleran, M.; Hoppe, S.; Horns, D.; Jacholkowska, A.; de Jager, O. C.; Jahn, C.; Jung, I.; Katarzynski, K.; Katz, U.; Kaufmann, S.; Kerschhaggl, M.; Khangulyan, D.; Khálifi, B.; Keogh, D.; Klochkov, D.; Kluzniak, W.; Kneiske, T.; Komin, Nu.; Kosack, K.; Kossakowski, R.; Lamanna, G.; Lenain, J.-P.; Lohse, T.; Lu, C.-C.; Marandon, V.; Marcowith, A.; Masbou, J.; Mau-Rin, D.; McComb, T. J. L.; Medina, M. C.; Méhault, J.; Moderski, R.; Moulin, E.; Naumann-Godo, M.; de Naurois, M.; Nedbal, D.; Nekrassov, D.; Nguyen, N.; Nicholas, B.; Niemiec, J.; Nolan, S. J.; Ohm, S.; Olive, J.-F.; de Ona Wilhelmi, E.; Opitz, B.; Orford, K. J.; Ostrowski, M.; Panter, M.; Paz Arribas, M.; Pedaletti, G.; Pelletier, G.; Petrucci, P.-O.; Pita, S.; Pühlhofer, G.; Punch, M.; Quirrenbach, A.; Raubenheimer, B. C.; Raue, M.; Rayner, S. M.; Reimer, O.; Renaud, M.; de Los Reyes, R.; Rieger, F.; Ripken, J.; Rob, L.; Rosier-Lees, S.; Rowell, G.; Rudak, B.; Rulten, C. B.; Ruppel, J.; Ryde, F.; Sahakian, V.; Santangelo, A.; Schlickeiser, R.; Schück, F. M.; Schünwald, A.; Schwanke, U.; Schwarzburg, S.; Schwemmer, S.; Shalchi, A.; Sushch, I.; Sikora, M.; Skilton, J. L.; Sol, H.; Stawarz, L.; Steenkamp, R.; Stegmann, C.; Stinzing, F.; Szostek, A.; Tam, P. H.; Tavernet, J.-P.; Terrier, R.; Tibolla, O.; Tluczykont, M.; Valerius, K.; van Eldik, C.; Vasileiadis, G.; Venter, C.; Venter, L.; Vialle, J. P.; Viana, A.; Vincent, P.; Vivier, M.; Vülk, H. J.; Volpe, F.; Vorobiov, S.; Wagner, S. J.; Ward, M.; Zdziarski, A. A.; Zech, A.; Zechlin, H.-S.

    We have conducted a search for the giant Pair Halo structures which are inevitably formed around TeV sources due to interactions of very high energy gamma-rays with the Extragalactic Background Light (EBL). The resulting electron/positron pairs are Compton upscattered on photons of the 2.7 K Cosmic Microwave Background Radiation to produce a second generation of gamma-rays which again interact with the EBL; thus an electromagnetic cascade develops. If the magnetic fields on Mpc scales surrounding the central source are sufficiently strong (10-11 G or more), electrons are effectively isotropised before interacting with radiation fields. In this case an extended halo is produced around the source. Using H.E.S.S. observations of Active Galactic Nuclei, including data from PKS 2155-304, 1ES 1101-232 and 1ES 0229+200, we have completed a detailed analysis of these sources. I will present and discuss the astrophysical implications of these results.

  5. Atomic pair-state interferometer

    DEFF Research Database (Denmark)

    Nipper, J.; Balewski, Jonathan B.; Krupp, Alexander T.

    2012-01-01

    to measure the phase shift. Although the coupling between pair states is coherent on the time scale of the experiment, a loss of visibility occurs as a pair-state interferometer involves three simultaneously interfering paths and only one of them is phase shifted by the mutual interaction. Despite additional...... dephasing mechanisms, a pulsed Förster coupling sequence allows for observation of coherent dynamics around the Förster resonance....

  6. Temperature dependence of the rate constant of hydrogen isotope interactions with a lithium capillary-porous system under reactor irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Tazhibayeva, Irina, E-mail: tazhibayeva@ntsc.kz [Institute of Atomic Energy NNC RK, Kurchatov (Kazakhstan); Kulsartov, Timur; Gordienko, Yuri [Institute of Atomic Energy NNC RK, Kurchatov (Kazakhstan); Mukanova, Aliya [Al’ Farabi Kazakh National University, Almaty (Kazakhstan); Ponkratov, Yuri; Barsukov, Nikolay; Tulubaev, Evgeniy [Institute of Atomic Energy NNC RK, Kurchatov (Kazakhstan); Platacis, Erik [University of Latvia (IPUL), Riga (Latvia); Kenzhin, Ergazy [Shakarim Semey State University, Semey (Kazakhstan)

    2013-10-15

    Highlights: • The experiments with Li CPS sample were carried out at reactor IVG-1.M. • The gas absorption technique was used to study hydrogen isotope interaction with lithium CPS. • The temperature dependence of constants of interaction rate was obtained for various power rates of the reactor. • Determination of the activation energies, and pre-exponents of Arrhenius dependence. • The effect of increase of the rate constant under reaction irradiation. -- Abstract: Experiments with a sample of a lithium capillary-porous system (CPS) were performed at the reactor IVG-1.M of the Institute of Atomic Energy NNC RK to study the effects of neutron irradiation on the parameters of hydrogen isotope interactions with a lithium CPS. The absorption technique was used during the experiments, and this technique allowed the temperature dependences of the hydrogen isotope interaction rate constants with the lithium CPS to be obtained under various reactor powers. The obtained dependencies were used to determine the main interaction parameters: the activation energies and the pre-exponents of the Arrhenius dependence of the hydrogen interaction rate constants with lithium and the lithium CPS. An increase of the hydrogen isotope interaction rate with the lithium CPS was observed under reactor irradiation.

  7. Interactions between parents of technology-dependent children and providers: an integrative review.

    Science.gov (United States)

    Jachimiec, Jennifer A; Obrecht, Jennifer; Kavanaugh, Karen

    2015-03-01

    This article is a review of the literature on the experiences of parents and their interactions with healthcare providers while caring for their technology-dependent child(ren) in their homes. Results are presented in the following themes: information needs, respect and partnership with healthcare providers, care coordination, and experiences with home healthcare nurses. Parents needed information and guidance and felt supported when providers recognized parents' expertise with the child's care, and offered reassurance and confirmation about their practices. Home healthcare clinicians provided supportive care in the home, but their presence created challenges for the family. By acknowledging and valuing the parents' expertise, healthcare providers can empower parents to confidently care for their child.

  8. Parametric interactions of acoustic waves in semiconductor quantum plasmas with strain dependent dielectric constants

    Science.gov (United States)

    Yadav, N.; Ghosh, S.; Agrawal, A.

    2017-05-01

    Using quantum hydrodynamic model (QHD) of semiconductor plasma for a one-component we present an analytical investigation on parametric interaction of a laser radiation in an unmagnetised material with a strain-dependent dielectric constant. The nonlinear current density and third order susceptibility are analyzed in different wave number regions in presence and absence of quantum effect. We present the qualitative behavior of threshold pump intensity with respect to wave number in presence and absence of quantum effect. The numeric estimates are made for n-BaTiO3 crystals at 77k duly irradiated by pulsed 10.6μm CO2 laser. It is found that the quantum correction through Fermi temperature and Bohm potential terms modifies the threshold characteristics.

  9. A semi-nonlocal numerical approach for modeling of temperature-dependent crack-wave interaction

    Science.gov (United States)

    Martowicz, Adam; Kijanka, Piotr; Staszewski, Wieslaw J.

    2016-04-01

    Numerical tools, which are used to simulate complex phenomena for models of complicated shapes suffer from either long computational time or accuracy. Hence, new modeling and simulation tools, which could offer reliable results within reasonable time periods, are highly demanded. Among other approaches, the nonlocal methods have appeared to fulfill these requirements quite efficiently and opened new perspectives for accurate simulations based on crude meshes of the model's degrees of freedom. In the paper, the preliminary results are shown for simulations of the phenomenon of temperature-dependent crack-wave interaction for elastic wave propagation in a model of an aluminum plate. Semi-nonlocal finite differences are considered to solve the problem of thermoelasticity - based on the discretization schemes, which were already proposed by the authors and taken from the previously published work. Numerical modeling is used to examine wave propagation primarily in the vicinity of a notch. Both displacement and temperature fields are sought in the investigated case study.

  10. Calculation of photoelectron spectra within the time-dependent configuration interaction singles scheme

    CERN Document Server

    Karamatskou, Antonia; Chen, Yi-Jen; Santra, Robin

    2014-01-01

    We present the extension of the time-dependent configuration interaction singles (TDCIS) method to the computation of the electron kinetic-energy spectrum in photoionization processes. Especially for strong and long ionizing light pulses the detection of the photoelectron poses a computational challenge because propagating the outgoing photoelectron wavepacket requires large grid sizes. Two different methods which allow for the extraction of the asymptotic photoelectron momentum are compared regarding their methodological and computational performance. The first method follows the scheme of Tong et al. \\cite{tong} where the photoelectron wavefunction is absorbed by a real splitting function. The second method after Tao and Scrinzi \\cite{scrinzi} measures the flux of the electron wavepacket through a surface at a fixed radius. With both methods the full angle- and energy-resolved photoelectron spectrum is obtained. Combined with the TDCIS scheme it is possible to analyze the dynamics of the outgoing electron i...

  11. Structure and Interaction in the pH-Dependent Phase Behavior of Nanoparticle-Protein Systems.

    Science.gov (United States)

    Yadav, Indresh; Kumar, Sugam; Aswal, Vinod K; Kohlbrecher, Joachim

    2017-02-07

    The pH-dependent structure and interaction of anionic silica nanoparticles (diameter 18 nm) with two globular model proteins, lysozyme and bovine serum albumin (BSA), have been studied. Cationic lysozyme adsorbs strongly on the nanoparticles, and the adsorption follows exponential growth as a function of lysozyme concentration, where the saturation value increases as pH approaches the isoelectric point (IEP) of lysozyme. By contrast, irrespective of pH, anionic BSA does not show any adsorption. Despite having a different nature of interactions, both proteins render a similar phase behavior where nanoparticle-protein systems transform from being one-phase (clear) to two-phase (turbid) above a critical protein concentration (CPC). The measurements have been carried out for a fixed concentration of silica nanoparticles (1 wt %) with varying protein concentrations (0-5 wt %). The CPC is found to be much higher for BSA than for lysozyme and increases for lysozyme but decreases for BSA as pH approaches their respective IEPs. The structure and interaction in these systems have been examined using dynamic light scattering (DLS) and small-angle neutron scattering (SANS). The effective hydrodynamic size of the nanoparticles measured using DLS increases with protein concentration and is related to the aggregation of the nanoparticles above the CPC. The propensity of the nanoparticles to aggregate is suppressed for lysozyme and enhanced for BSA as pH approached their respective IEPs. This behavior is understood from SANS data through the interaction potential determined by the interplay of electrostatic repulsion with a short-range attraction for lysozyme and long-range attraction for BSA. The nanoparticle aggregation is caused by charge neutralization by the oppositely charged lysozyme and through depletion for similarly charged BSA. Lysozyme-mediated attractive interaction decreases as pH approaches the IEP because of a decrease in the charge on the protein. In the case of

  12. Time-dependent drug-drug interaction alerts in care provider order entry: software may inhibit medication error reductions

    NARCIS (Netherlands)

    I.H. van der Sijs (Heleen); L.A. Lammers (Laureen); A. van den Tweel (Annemieke); J.E.C.M. Aarts (Jos); M. Berg (Marc); A.G. Vulto (Arnold); T. van Gelder (Teun)

    2009-01-01

    textabstractTime-dependent drug-drug interactions (TDDIs) are drug combinations that result in a decreased drug effect due to coadministration of a second drug. Such interactions can be prevented by separately administering the drugs. This study attempted to reduce drug administration errors due to

  13. Bacillus anthracis interacts with plasmin(ogen to evade C3b-dependent innate immunity.

    Directory of Open Access Journals (Sweden)

    Myung-Chul Chung

    Full Text Available The causative agent of anthrax, Bacillus anthracis, is capable of circumventing the humoral and innate immune defense of the host and modulating the blood chemistry in circulation to initiate a productive infection. It has been shown that the pathogen employs a number of strategies against immune cells using secreted pathogenic factors such as toxins. However, interference of B. anthracis with the innate immune system through specific interaction of the spore surface with host proteins such as the complement system has heretofore attracted little attention. In order to assess the mechanisms by which B. anthracis evades the defense system, we employed a proteomic analysis to identify human serum proteins interacting with B. anthracis spores, and found that plasminogen (PLG is a major surface-bound protein. PLG efficiently bound to spores in a lysine- and exosporium-dependent manner. We identified α-enolase and elongation factor tu as PLG receptors. PLG-bound spores were capable of exhibiting anti-opsonic properties by cleaving C3b molecules in vitro and in rabbit bronchoalveolar lavage fluid, resulting in a decrease in macrophage phagocytosis. Our findings represent a step forward in understanding the mechanisms involved in the evasion of innate immunity by B. anthracis through recruitment of PLG resulting in the enhancement of anti-complement and anti-opsonization properties of the pathogen.

  14. Density-dependent effective baryon-baryon interaction from chiral three-baryon forces

    CERN Document Server

    Petschauer, Stefan; Kaiser, Norbert; Meißner, Ulf-G; Weise, Wolfram

    2016-01-01

    A density-dependent effective potential for the baryon-baryon interaction in the presence of the (hyper)nuclear medium is constructed, based on the leading (irreducible) three-baryon forces derived within SU(3) chiral effective field theory. We evaluate the contributions from three classes: contact terms, one-pion exchange and two-pion exchange. In the strangeness-zero sector we recover the known result for the in-medium nucleon-nucleon interaction. Explicit expressions for the Lambda-nucleon in-medium potential in (asymmetric) nuclear matter are presented. Our results are suitable for implementation into calculations of (hyper)nuclear matter. In order to estimate the low-energy constants of the leading three-baryon forces we introduce the decuplet baryons as explicit degrees of freedom and construct the relevant terms in the minimal non-relativistic Lagrangian. With these, the constants are estimated through decuplet saturation. Utilizing this approximation we provide numerical results for the effect of the ...

  15. VCP phosphorylation-dependent interaction partners prevent apoptosis in Helicobacter pylori-infected gastric epithelial cells.

    Directory of Open Access Journals (Sweden)

    Cheng-Chou Yu

    Full Text Available Previous studies have demonstrated that valosin-containing protein (VCP is associated with H. pylori-induced gastric carcinogenesis. By identifying the interactome of VCP overexpressed in AGS cells using a subtractive proteomics approach, we aimed to characterize the cellular responses mediated by VCP and its functional roles in H. pylori-associated gastric cancer. VCP immunoprecipitations followed by proteomic analysis identified 288 putative interacting proteins, 18 VCP-binding proteins belonged to the PI3K/Akt signaling pathway. H. pylori infection increased the interaction between Akt and VCP, Akt-dependent phosphorylation of VCP, levels of ubiquitinated proteins, and aggresome formation in AGS cells. Furthermore, phosphorylated VCP co-localized with the aggresome, bound ubiquitinated proteins, and increased the degradation of cellular regulators to protect H. pylori-infected AGS cells from apoptosis. Our study demonstrates that VCP phosphorylation following H. pylori infection promotes both gastric epithelial cell survival, mediated by the PI3K/Akt pathway, and the degradation of cellular regulators. These findings provide novel insights into the mechanisms of H. pylori infection induced gastric carcinogenesis.

  16. Structure-dependent interactions of polyphenols with a biomimetic membrane system.

    Science.gov (United States)

    Phan, Huong T T; Yoda, Tsuyoshi; Chahal, Bindu; Morita, Masamune; Takagi, Masahiro; Vestergaard, Mun'delanji C

    2014-10-01

    Polyphenols are naturally-occurring compounds, reported to be biologically active, and through their interactions with cell membranes. Although association of the polyphenols with the bilayer has been reported, the detailed mechanism of interaction is not yet well elucidated. We report on spatio-temporal real-time membrane dynamics observed in the presence of polyphenols. Two distinct membrane dynamics, corresponding to the two classes of polyphenols used, were observed. Flavonoids (epi-gallocatechin-3-gallate, gallocatechin, theaflavin and theaflavin-3-gallate) caused lipid membrane aggregation and rigidification. As simple structural modification through opening of the aromatic C-ring into an olefin bond, present in trans-stilbenes (resveratrol and picead), completely changed the membrane properties, increasing fluidity and inducing fluctuation. There were differences in the membrane transformations within the same class of polyphenols. Structure-dependent classification of membrane dynamics may contribute to a better understanding of the physicochemical mechanism involved in the bioactivity of polyphenols. In general, an increase in the number of hydrophilic side chains (galloyl, hydroxyl, glucoside, gallate) increased the reactivity of the polyphenols. Most notable was the difference observed through a simple addition of the gallate group. Unraveling the importance of these polyphenols, at a functional group level further opens the key to tailored design of bioactive compounds as potential drug candidates.

  17. Population dependence in the interactions with neighbors for pollination: A field experiment with Taraxacum officinale.

    Science.gov (United States)

    Lázaro, Amparo; Totland, Orjan

    2010-05-01

    PREMISE OF THE STUDY. The fitness of plants depends on their immediate biotic and abiotic environmental surroundings. The floral neighborhood of individual plants is part of this immediate environment and affects the frequency and behavior of their pollinators. However, the interactions among plants for pollination might differ among populations because populations differ in floral densities and pollinator assemblages. Despite that, manipulative experiments of the floral neighborhood in different populations with a specific focus on pollinator behavior are still rare. METHODS. We introduced mixtures of two species (Salvia farinacae and Tagetes bonanza) in two populations of Taraxacum officinale and examined their effect on pollinators' foraging behavior on Taraxacum. KEY RESULTS. The effects of the heterospecific neighborhood differed among pollinator groups and between the two populations. Only honeybees consistently preferred both the most diverse (containing