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Sample records for accurate weak interaction

  1. Exact kinetic energy enables accurate evaluation of weak interactions by the FDE-vdW method

    SciTech Connect

    Sinha, Debalina; Pavanello, Michele

    2015-08-28

    The correlation energy of interaction is an elusive and sought-after interaction between molecular systems. By partitioning the response function of the system into subsystem contributions, the Frozen Density Embedding (FDE)-vdW method provides a computationally amenable nonlocal correlation functional based on the adiabatic connection fluctuation dissipation theorem applied to subsystem density functional theory. In reproducing potential energy surfaces of weakly interacting dimers, we show that FDE-vdW, either employing semilocal or exact nonadditive kinetic energy functionals, is in quantitative agreement with high-accuracy coupled cluster calculations (overall mean unsigned error of 0.5 kcal/mol). When employing the exact kinetic energy (which we term the Kohn-Sham (KS)-vdW method), the binding energies are generally closer to the benchmark, and the energy surfaces are also smoother.

  2. Exact kinetic energy enables accurate evaluation of weak interactions by the FDE-vdW method.

    PubMed

    Sinha, Debalina; Pavanello, Michele

    2015-08-28

    The correlation energy of interaction is an elusive and sought-after interaction between molecular systems. By partitioning the response function of the system into subsystem contributions, the Frozen Density Embedding (FDE)-vdW method provides a computationally amenable nonlocal correlation functional based on the adiabatic connection fluctuation dissipation theorem applied to subsystem density functional theory. In reproducing potential energy surfaces of weakly interacting dimers, we show that FDE-vdW, either employing semilocal or exact nonadditive kinetic energy functionals, is in quantitative agreement with high-accuracy coupled cluster calculations (overall mean unsigned error of 0.5 kcal/mol). When employing the exact kinetic energy (which we term the Kohn-Sham (KS)-vdW method), the binding energies are generally closer to the benchmark, and the energy surfaces are also smoother.

  3. Weak Interactions

    DOE R&D Accomplishments Database

    Lee, T. D.

    1957-06-01

    Experimental results on the non-conservation of parity and charge conservation in weak interactions are reviewed. The two-component theory of the neutrino is discussed. Lepton reactions are examined under the assumption of the law of conservation of leptons and that the neutrino is described by a two- component theory. From the results of this examination, the universal Fermi interactions are analyzed. Although reactions involving the neutrino can be described, the same is not true of reactions which do not involve the lepton, as the discussion of the decay of K mesons and hyperons shows. The question of the invariance of time reversal is next examined. (J.S.R.)

  4. History of Weak Interactions

    DOE R&D Accomplishments Database

    Lee, T. D.

    1970-07-01

    While the phenomenon of beta-decay was discovered near the end of the last century, the notion that the weak interaction forms a separate field of physical forces evolved rather gradually. This became clear only after the experimental discoveries of other weak reactions such as muon-decay, muon-capture, etc., and the theoretical observation that all these reactions can be described by approximately the same coupling constant, thus giving rise to the notion of a universal weak interaction. Only then did one slowly recognize that the weak interaction force forms an independent field, perhaps on the same footing as the gravitational force, the electromagnetic force, and the strong nuclear and sub-nuclear forces.

  5. Weak interactions and presupernova evolution

    SciTech Connect

    Aufderheide, M.B. State Univ. of New York . Dept. of Physics)

    1991-02-19

    The role of weak interactions, particularly electron capture and {beta}{sup {minus}} decay, in presupernova evolution is discussed. The present uncertainty in these rates is examined and the possibility of improving the situation is addressed. 12 refs., 4 figs.

  6. Cosmology and the weak interaction

    NASA Technical Reports Server (NTRS)

    Schramm, David N.

    1989-01-01

    The weak interaction plays a critical role in modern Big Bang cosmology. Two of its most publicized comological connections are emphasized: big bang nucleosynthesis and dark matter. The first of these is connected to the cosmological prediction of neutrine flavors, N(sub nu) is approximately 3 which in now being confirmed. The second is interrelated to the whole problem of galacty and structure formation in the universe. The role of the weak interaction both for dark matter candidates and for the problem of generating seeds to form structure is demonstrated.

  7. Cosmology and the weak interaction

    SciTech Connect

    Schramm, D.N. ):)

    1989-12-01

    The weak interaction plays a critical role in modern Big Bang cosmology. This review will emphasize two of its most publicized cosmological connections: Big Bang nucleosynthesis and Dark Matter. The first of these is connected to the cosmological prediction of Neutrino Flavours, N{sub {nu}} {approximately} 3 which is now being confirmed at SLC and LEP. The second is interrelated to the whole problem of galaxy and structure formation in the universe. This review will demonstrate the role of the weak interaction both for dark matter candidates and for the problem of generating seeds to form structure. 87 refs., 3 figs., 5 tabs.

  8. Weakly nonlinear magnetohydrodynamic wave interactions

    SciTech Connect

    Webb, G.M.; Brio, M.; Kruse, M.T.; Zank, G.P.

    1999-06-01

    Equations describing weakly nonlinear magnetohydrodynamic (MHD) wave interactions in one Cartesian space dimension are discussed. For wave propagation in uniform media, the wave interactions of interest consist of: (a) three-wave resonant interactions in which high frequency waves, may evolve on long space and time scales if the wave phases satisfy the resonance conditions; (b) Burgers self-wave steepening for the magnetoacoustic waves, and (c) mean wave field effects, in which a particular wave interacts with the mean wave field of the other waves. For wave propagation in non-uniform media, further linear wave mixing terms appear in the equations. The equations describe four types of resonant triads: slow-fast magnetosonic wave interaction; Alfv{acute e}n-entropy wave interaction; Alfv{acute e}n-magnetosonic wave interaction; and magnetosonic-entropy wave interaction. The formalism is restricted to coherent wave interactions. {copyright} {ital 1999 American Institute of Physics.}

  9. Weak interactions at the SSC

    SciTech Connect

    Chanowitz, M.S.

    1986-03-01

    Prospects for the study of standard model weak interactions at the SSC are reviewed, with emphasis on the unique capability of the SSC to study the mechanism of electroweak symmetry breaking whether the associated new quanta are at the TeV scale or higher. Symmetry breaking by the minimal Higgs mechanism and by related strong interaction dynamical variants is summarized. A set of measurements is outlined that would calibrate the proton structure functions and the backgrounds to new physics. The ability to measure the three weak gauge boson vertex is found to complement LEP II, with measurements extending to larger Q/sup 2/ at a comparable statistical level in detectable decays. B factory physics is briefly reviewed as one example of a possible broad program of high statistics studies of sub-TeV scale phenomena. The largest section of the talk is devoted to the possible manifestations of symmetry breaking in the WW and ZZ production cross sections. Some new results are presented bearing on the ability to detect high mass WW and ZZ pairs. The principal conclusion is that although nonstandard model scenarios are typically more forgiving, the capability to study symmetry breaking in the standard model (and in related strong interaction dynamical variants) requires achieving the SSC design goals of ..sqrt.. s,L = 40Tev, 10/sup 33/cm/sup -2/sec/sup -1/. 28 refs., 5 figs.

  10. Detecting weakly interacting massive particles.

    NASA Astrophysics Data System (ADS)

    Drukier, A. K.; Gelmini, G. B.

    The growing synergy between astrophysics, particle physics, and low background experiments strengthens the possibility of detecting astrophysical non-baryonic matter. The idea of direct detection is that an incident, massive weakly interacting particle could collide with a nucleus and transfer an energy that could be measured. The present low levels of background achieved by the PNL/USC Ge detector represent a new technology which yields interesting bounds on Galactic cold dark matter and on light bosons emitted from the Sun. Further improvements require the development of cryogenic detectors. The authors analyse the practicality of such detectors, their optimalization and background suppression using the "annual modulation effect".

  11. A Universe without Weak Interactions

    SciTech Connect

    Harnik, Roni; Kribs, Graham D.; Perez, Gilad

    2006-04-07

    A universe without weak interactions is constructed that undergoes big-bang nucleosynthesis, matter domination, structure formation, and star formation. The stars in this universe are able to burn for billions of years, synthesize elements up to iron, and undergo supernova explosions, dispersing heavy elements into the interstellar medium. These definitive claims are supported by a detailed analysis where this hypothetical ''Weakless Universe'' is matched to our Universe by simultaneously adjusting Standard Model and cosmological parameters. For instance, chemistry and nuclear physics are essentially unchanged. The apparent habitability of the Weakless Universe suggests that the anthropic principle does not determine the scale of electroweak breaking, or even require that it be smaller than the Planck scale, so long as technically natural parameters may be suitably adjusted. Whether the multi-parameter adjustment is realized or probable is dependent on the ultraviolet completion, such as the string landscape. Considering a similar analysis for the cosmological constant, however, we argue that no adjustments of other parameters are able to allow the cosmological constant to raise up even remotely close to the Planck scale while obtaining macroscopic structure. The fine-tuning problems associated with the electroweak breaking scale and the cosmological constant therefore appear to be qualitatively different from the perspective of obtaining a habitable universe.

  12. Elementary Particles and Weak Interactions

    DOE R&D Accomplishments Database

    Lee, T. D.; Yang, C. N.

    1957-01-01

    Some general patterns of interactions between various elementary particles are reviewed and some general questions concerning the symmetry properties of these particles are studied. Topics are included on the theta-tau puzzle, experimental limits on the validity of parity conservation, some general discussions on the consequences due to possible non-invariance under P, C, and T, various possible experimental tests on invariance under P, C, and T, a two-component theory of the neutrino, a possible law of conservation of leptons and the universal Fermi interactions, and time reversal invariance and Mach's principle. (M.H.R.)

  13. Spin effects in the weak interaction

    SciTech Connect

    Freedman, S.J. Chicago Univ., IL . Dept. of Physics Chicago Univ., IL . Enrico Fermi Inst.)

    1990-01-01

    Modern experiments investigating the beta decay of the neutron and light nuclei are still providing important constraints on the theory of the weak interaction. Beta decay experiments are yielding more precise values for allowed and induced weak coupling constants and putting constraints on possible extensions to the standard electroweak model. Here we emphasize the implications of recent experiments to pin down the strengths of the weak vector and axial vector couplings of the nucleon.

  14. Molecular Handshake: Recognition through Weak Noncovalent Interactions

    ERIC Educational Resources Information Center

    Murthy, Parvathi S.

    2006-01-01

    The weak noncovalent interactions between substances, the handshake in the form of electrostatic interactions, van der Waals' interactions or hydrogen bonding is universal to all living and nonliving matter. They significantly influence the molecular and bulk properties and behavior of matter. Their transient nature affects chemical reactions and…

  15. Resource Letter WI-1: Weak Interactions

    ERIC Educational Resources Information Center

    Holstein, Barry R.

    1977-01-01

    Provides a listing of sources of literature and teaching aids to improve course content in the fields of: weak interactions, beta decay, orbital electron capture, muon capture, semileptonic decay, nonleptonic processes, parity violation in nuclei, neutrino physics, and parity violation in atomic physics. (SL)

  16. Francium Spectroscopy for Weak Interaction Studies

    NASA Astrophysics Data System (ADS)

    Orozco, Luis

    2014-05-01

    Francium, a radioactive element, is the heaviest alkali. Its atomic and nuclear structure makes it an ideal laboratory to study the weak interaction. Laser trapping and cooling in-line with the superconducting LINAC accelerator at Stony Brook opened the precision study of its atomic structure. I will present our proposal and progress towards weak interaction measurements at TRIUMF, the National Canadian Accelerator in Vancouver. These include the commissioning run of the Francium Trapping Facility, hyperfine anomaly measurements on a chain of Fr isotopes, the nuclear anapole moment through parity non-conserving transitions in the ground state hyperfine manifold. These measurements should shed light on the nucleon-nucleon weak interaction. This work is done by the FrPNC collaboration: S. Aubin College of William and Mary, J. A. Behr TRIUMF, R. Collister U. Manitoba, E. Gomez UASLP, G. Gwinner U. Manitoba, M. R. Pearson TRIUMF, L. A. Orozco UMD, M. Tandecki TRIUMF, J. Zhang UMD Supported by NSF and DOE from the USA; TRIUMF, NRC and NSERC from Canada; and CONACYT from Mexico

  17. Weak-interaction contributions to hyperfine splitting and Lamb shift

    SciTech Connect

    Eides, M.I.

    1996-05-01

    Weak-interaction contributions to hyperfine splitting and the Lamb shift in hydrogen and muonium are discussed. The problem of sign of the weak-interaction contribution to HFS is clarified, and simple physical arguments that make this sign evident are presented. It is shown that weak-interaction contributions to HFS in hydrogen and muonium have opposite signs. A weak-interaction contribution to the Lamb shift is obtained. {copyright} {ital 1996 The American Physical Society.}

  18. A Macroscopic Realization of the Weak Interaction

    NASA Technical Reports Server (NTRS)

    Nishimori, Arito

    2003-01-01

    A.J.Leggett suggested in 1977 that a permanent electric dipole moment due to the parity-nonconserving electron-nucleon interaction, even though it is extremely small, could be measured in the superfluid He-3 B because the moment should be proportional to the size of the sample in this system. If this moment is observed, it will be the first example of a macroscopic realization of the weak interaction. In our planned experiments, a high electric field of up to 6 kV/cm is applied between two parallel electrodes in the He-3 sample. We expect to observe the NMR frequency of the lowest-lying spin-wave mode trapped by the liquid crystal-like texture of the B phase rotation axis in our geometry. The interaction of the electric field and the macroscopic permanent electric dipole moment, which is oriented along the rotation axis, will cause a small change in the texture and hence a small increase in the frequency of the spin wave mode. Besides the basic ideas, we present the purpose and the design of our first cell that is under construction.

  19. Parity violation in the hadronic weak interaction

    NASA Astrophysics Data System (ADS)

    Balascuta, Septimiu

    This thesis deals with the first measurements done with a cold neutron beam at the Spallation Neutron Source at Oak Ridge National Laboratory. The experimental technique consisted of capturing polarized cold neutrons by nuclei to measure parity-violation in the angular distribution of the gamma rays following neutron capture. The measurements presented here for the nuclei Chlorine (35Cl) and Aluminum (27Al) are part of a program with the ultimate goal of measuring the asymmetry in the angular distribution of gamma rays emitted in the capture of neutrons on protons, with a precision better than 10-8, in order to extract the weak hadronic coupling constant due to pion exchange interaction with isospin change equal with one (hpi 1). Based on theoretical calculations asymmetry in the angular distribution of the gamma rays from neutron capture on protons has an estimated size of 5·10 -8. This implies that the Al parity violation asymmetry and its uncertainty have to be known with a precision smaller than 4·10 -8. The proton target is liquid Hydrogen (H2) contained in an Aluminum vessel. Results are presented for parity violation and parity-conserving asymmetries in Chlorine and Aluminum. The systematic and statistical uncertainties in the calculation of the parity-violating and parity-conserving asymmetries are discussed.

  20. Neutron Measurements and the Weak Nucleon-Nucleon Interaction

    PubMed Central

    Snow, W. M.

    2005-01-01

    The weak interaction between nucleons remains one of the most poorly-understood sectors of the Standard Model. A quantitative description of this interaction is needed to understand weak interaction phenomena in atomic, nuclear, and hadronic systems. This paper summarizes briefly what is known about the weak nucleon-nucleon interaction, tries to place this phenomenon in the context of other studies of the weak and strong interactions, and outlines a set of measurements involving low energy neutrons which can lead to significant experimental progress. PMID:27308120

  1. A comparison of weak-turbulence and particle-in-cell simulations of weak electron-beam plasma interaction

    SciTech Connect

    Ratcliffe, H. Brady, C. S.; Che Rozenan, M. B.; Nakariakov, V. M.

    2014-12-15

    Quasilinear theory has long been used to treat the problem of a weak electron beam interacting with plasma and generating Langmuir waves. Its extension to weak-turbulence theory treats resonant interactions of these Langmuir waves with other plasma wave modes, in particular, ion-sound waves. These are strongly damped in plasma of equal ion and electron temperatures, as sometimes seen in, for example, the solar corona and wind. Weak turbulence theory is derived in the weak damping limit, with a term describing ion-sound wave damping then added. In this paper, we use the EPOCH particle-in-cell code to numerically test weak turbulence theory for a range of electron-ion temperature ratios. We find that in the cold ion limit, the results agree well, but for increasing ion temperature the three-wave resonance becomes broadened in proportion to the ion-sound wave damping rate. Additionally, we establish lower limits on the number of simulation particles needed to accurately reproduce the electron and wave distributions in their saturated states and to reproduce their intermediate states and time evolution. These results should be taken into consideration in, for example, simulations of plasma wave generation in the solar corona of Type III solar radio bursts from the corona to the solar wind and in weak turbulence investigations of ion-acoustic lines in the ionosphere.

  2. An accurate and practical method for inference of weak gravitational lensing from galaxy images

    NASA Astrophysics Data System (ADS)

    Bernstein, Gary M.; Armstrong, Robert; Krawiec, Christina; March, Marisa C.

    2016-07-01

    We demonstrate highly accurate recovery of weak gravitational lensing shear using an implementation of the Bayesian Fourier Domain (BFD) method proposed by Bernstein & Armstrong, extended to correct for selection biases. The BFD formalism is rigorously correct for Nyquist-sampled, background-limited, uncrowded images of background galaxies. BFD does not assign shapes to galaxies, instead compressing the pixel data D into a vector of moments M, such that we have an analytic expression for the probability P(M|g) of obtaining the observations with gravitational lensing distortion g along the line of sight. We implement an algorithm for conducting BFD's integrations over the population of unlensed source galaxies which measures ≈10 galaxies s-1 core-1 with good scaling properties. Initial tests of this code on ≈109 simulated lensed galaxy images recover the simulated shear to a fractional accuracy of m = (2.1 ± 0.4) × 10-3, substantially more accurate than has been demonstrated previously for any generally applicable method. Deep sky exposures generate a sufficiently accurate approximation to the noiseless, unlensed galaxy population distribution assumed as input to BFD. Potential extensions of the method include simultaneous measurement of magnification and shear; multiple-exposure, multiband observations; and joint inference of photometric redshifts and lensing tomography.

  3. Cosmological constraints on the properties of weakly interacting massive particles

    SciTech Connect

    Steigman, G.; Turner, M.S.

    1984-10-01

    Considerations of the age and density of, as well as the evolution of structure in, the Universe lead to constraints on the masses and lifetimes of weakly interacting massive particles (WIMPs). 26 references.

  4. Highly effective and accurate weak point monitoring method for advanced design rule (1x nm) devices

    NASA Astrophysics Data System (ADS)

    Ahn, Jeongho; Seong, ShiJin; Yoon, Minjung; Park, Il-Suk; Kim, HyungSeop; Ihm, Dongchul; Chin, Soobok; Sivaraman, Gangadharan; Li, Mingwei; Babulnath, Raghav; Lee, Chang Ho; Kurada, Satya; Brown, Christine; Galani, Rajiv; Kim, JaeHyun

    2014-04-01

    Historically when we used to manufacture semiconductor devices for 45 nm or above design rules, IC manufacturing yield was mainly determined by global random variations and therefore the chip manufacturers / manufacturing team were mainly responsible for yield improvement. With the introduction of sub-45 nm semiconductor technologies, yield started to be dominated by systematic variations, primarily centered on resolution problems, copper/low-k interconnects and CMP. These local systematic variations, which have become decisively greater than global random variations, are design-dependent [1, 2] and therefore designers now share the responsibility of increasing yield with manufacturers / manufacturing teams. A widening manufacturing gap has led to a dramatic increase in design rules that are either too restrictive or do not guarantee a litho/etch hotspot-free design. The semiconductor industry is currently limited to 193 nm scanners and no relief is expected from the equipment side to prevent / eliminate these systematic hotspots. Hence we have seen a lot of design houses coming up with innovative design products to check hotspots based on model based lithography checks to validate design manufacturability, which will also account for complex two-dimensional effects that stem from aggressive scaling of 193 nm lithography. Most of these hotspots (a.k.a., weak points) are especially seen on Back End of the Line (BEOL) process levels like Mx ADI, Mx Etch and Mx CMP. Inspecting some of these BEOL levels can be extremely challenging as there are lots of wafer noises or nuisances that can hinder an inspector's ability to detect and monitor the defects or weak points of interest. In this work we have attempted to accurately inspect the weak points using a novel broadband plasma optical inspection approach that enhances defect signal from patterns of interest (POI) and precisely suppresses surrounding wafer noises. This new approach is a paradigm shift in wafer inspection

  5. Weakness

    MedlinePlus

    Lack of strength; Muscle weakness ... feel weak but have no real loss of strength. This is called subjective weakness. It may be ... flu. Or, you may have a loss of strength that can be noted on a physical exam. ...

  6. Extended weak bonding interactions in DNA: pi-stacking (base-base), base-backbone, and backbone-backbone interactions.

    PubMed

    Matta, Chérif F; Castillo, Norberto; Boyd, Russell J

    2006-01-12

    We report on several weak interactions in nucleic acids, which, collectively, can make a nonnegligible contribution to the structure and stability of these molecules. Fragments of DNA were obtained from previously determined accurate experimental geometries and their electron density distributions calculated using density functional theory (DFT). The electron densities were analyzed topologically according to the quantum theory of atoms in molecules (AIM). A web of closed-shell bonding interactions is shown to connect neighboring base pairs in base-pair duplexes and in dinuleotide steps. This bonding underlies the well-known pi-stacking interaction between adjacent nucleic acid bases and is characterized topologically for the first time. Two less widely appreciated modes of weak closed-shell interactions in nucleic acids are also described: (i) interactions between atoms in the bases and atoms belonging to the backbone (base-backbone) and (ii) interactions among atoms within the backbone itself (backbone-backbone). These interactions include hydrogen bonding, dihydrogen bonding, hydrogen-hydrogen bonding, and several other weak closed-shell X-Y interactions (X, Y = O, N, C). While each individual interaction is very weak and typically accompanied by perhaps 0.5-3 kcal/mol, the sum total of these interactions is postulated to play a role in stabilizing the structure of nucleic acids. The Watson-and-Crick hydrogen bonding is also characterized in detail at the experimental geometries as a prelude to the discussion of the modes of interactions listed in the title.

  7. Challenges and dreams: physics of weak interactions essential to life.

    PubMed

    Chien, Peter; Gierasch, Lila M

    2014-11-05

    Biological systems display stunning capacities to self-organize. Moreover, their subcellular architectures are dynamic and responsive to changing needs and conditions. Key to these properties are manifold weak "quinary" interactions that have evolved to create specific spatial networks of macromolecules. These specific arrangements of molecules enable signals to be propagated over distances much greater than molecular dimensions, create phase separations that define functional regions in cells, and amplify cellular responses to changes in their environments. A major challenge is to develop biochemical tools and physical models to describe the panoply of weak interactions operating in cells. We also need better approaches to measure the biases in the spatial distributions of cellular macromolecules that result from the integrated action of multiple weak interactions. Partnerships between cell biologists, biochemists, and physicists are required to deploy these methods. Together these approaches will help us realize the dream of understanding the biological "glue" that sustains life at a molecular and cellular level.

  8. Search for a Scalar Component in the Weak Interaction

    NASA Astrophysics Data System (ADS)

    Zakoucky, Dalibor; Baczyk, Pavel; Ban, Gilles; Beck, Marcus; Breitenfeldt, Martin; Couratin, Claire; Fabian, Xavier; Finlay, Paul; Flechard, Xavier; Friedag, Peter; Glück, Ferenc; Herlert, Alexander; Knecht, Andreas; Kozlov, Valentin; Lienard, Etienne; Porobic, Tomica; Soti, Gergelj; Tandecki, Michael; Vangorp, Simon; Weinheimer, Christian; Wursten, Elise; Severijns, Nathal

    Weak interactions are described by the Standard Model which uses the basic assumption of a pure "V(ector)-A(xial vector)" character for the interaction. However, after more than half a century of model development and experimental testing of its fundamental ingredients, experimental limits for possible admixtures of scalar and/or tensor interactions are still as high as 7%. The WITCH project (Weak Interaction Trap for CHarged particles) at the isotope separator ISOLDE at CERN is trying to probe the structure of the weak interaction in specific low energy β-decays in order to look for possible scalar or tensor components or at least significantly improve the current experimental limits. This worldwide unique experimental setup consisting of a combination of two Penning ion traps and a retardation spectrometer allows to catch, trap and cool the radioactive nuclei provided by the ISOLDE separator, form a cooled and scattering-free radioactive source of β-decaying nuclei and let these nuclei decay at rest. The precise measurement of the shape of the energy spectrum of the recoiling nuclei, the shape of which is very sensitive to the character of the weak interaction, enables searching for a possible admixture of a scalar/tensor component in the dominant vector/axial vector mode. First online measurements with the isotope 35Ar were performed in 2011 and 2012. The current status of the experiment, the data analysis and results as well as extensive simulations will be presented and discussed.

  9. Weak interactions of quarks and leptons: experimental status

    SciTech Connect

    Wojcicki, S.

    1984-09-01

    The present experimental status of weak interactions is discussed with emphasis on the problems and questions and on the possible lines of future investigations. Major topics include; (1) the quark mixing matrix, (2) CP violation, (3) rare decays, (4) the lepton sector, and (5) right handed currents. 118 references. (WHK)

  10. Supramolecular balance: using cooperativity to amplify weak interactions.

    PubMed

    Roman, Mihaela; Cannizzo, Caroline; Pinault, Thomas; Isare, Benjamin; Andrioletti, Bruno; van der Schoot, Paul; Bouteiller, Laurent

    2010-12-01

    Gathering precise knowledge on weak supramolecular interactions is difficult yet is of utmost importance for numerous scientific fields, including catalysis, crystal engineering, ligand binding, and protein folding. We report on a combined theoretical and experimental approach showing that it is possible to vastly improve the sensitivity of current methods to probe weak supramolecular interactions in solution. The concept consists of using a supramolecular platform involving a highly cooperative configurational transition, the perturbation of which (by the modification of the molecular building blocks) can be monitored in a temperature scanning experiment. We tested this concept with a particular bisurea platform, and our first results show that it is possible to detect the presence of interaction differences as low as 60 J/mol, which may be due to steric repulsion between vinyl and alkyl groups or may be the result of solvation effects.

  11. Large Deviations in Weakly Interacting Boundary Driven Lattice Gases

    NASA Astrophysics Data System (ADS)

    van Wijland, Frédéric; Rácz, Zoltán

    2005-01-01

    One-dimensional, boundary-driven lattice gases with local interactions are studied in the weakly interacting limit. The density profiles and the correlation functions are calculated to first order in the interaction strength for zero-range and short-range processes differing only in the specifics of the detailed-balance dynamics. Furthermore, the effective free-energy (large-deviation function) and the integrated current distribution are also found to this order. From the former, we find that the boundary drive generates long-range correlations only for the short-range dynamics while the latter provides support to an additivity principle recently proposed by Bodineau and Derrida.

  12. Collective transport of weakly interacting molecular motors with Langmuir kinetics

    NASA Astrophysics Data System (ADS)

    Chandel, Sameep; Chaudhuri, Abhishek; Muhuri, Sudipto

    2015-04-01

    Filament-based intracellular transport involves the collective action of molecular motor proteins. Experimental evidences suggest that microtubule (MT) filament bound motor proteins such as kinesins weakly interact among themselves during transport and with the surrounding cellular environment. Motivated by these observations we study a driven lattice gas model for collective unidirectional transport of molecular motors on open filament. This model incorporates short-range next-nearest-neighbour (NNN) interactions between the motors and couples the transport process on filament with surrounding cellular environment through adsorption-desorption Langmuir kinetics (LK) of the motors. We analyse this model within the framework of a mean-field (MF) theory in the limit of weak interactions between the motors. We point to the mapping of this model with the non-conserved version of the Katz-Lebowitz-Spohn (KLS) model. The system exhibits rich phase behavior with a variety of inhomogeneous phases including localized shocks in the bulk of the filament. We obtain the steady-state density and current profiles, analyse their variation as a function of the strength of interaction and construct the non-equilibrium MF phase diagram. We compare these MF results with Monte Carlo simulations and find that the MF analysis shows reasonably good agreement with simulation results as long as the motors are weakly interacting. For sufficently strong NNN interaction between the motors, the mean-field results deviate significantly, and for very strong NNN interaction in the absence of LK, the current in the lattice is determined solely by the NNN interaction parameter and it becomes independent of entry and exit rates of motors at the filament boundaries.

  13. Some implications of meson dominance in weak interactions

    SciTech Connect

    Lichard, P. ||

    1997-05-01

    The hypothesis is scrutinized that the weak interaction of hadronic systems at low energies is dominated by the coupling of the pseudoscalar, vector, and axial-vector mesons to the weak gauge bosons. The strength of the weak coupling of the {rho}(770) meson is uniquely determined by vector-meson dominance in electromagnetic interactions; flavor and chiral symmetry-breaking effects modify the coupling of other vector mesons and axial-vector mesons. Many decay rates are calculated and compared to experimental data and partly to predictions of other models. A parameter-free description of the decay K{sup +}{r_arrow}{pi}{sup +}scr(l){sup +}scr(l){sup {minus}} is obtained. Predictions for several not yet observed decay rates and reaction cross sections are presented. The relation between the conserved vector current hypothesis and meson dominance is clarified. Phenomenological success of the meson dominance suggests that in some calculations based on the standard model the weak quark-antiquark annihilation and creation diagrams may be more important than anticipated so far. The processes are identified where the meson dominance fails, implying that they are governed, on the quark level, by some other standard model diagrams. {copyright} {ital 1997} {ital The American Physical Society}

  14. Engineering interlocking DNA rings with weak physical interactions

    NASA Astrophysics Data System (ADS)

    Wu, Zai-Sheng; Shen, Zhifa; Tram, Kha; Li, Yingfu

    2014-06-01

    Catenanes are intriguing molecular assemblies for engineering unique molecular devices. The resident rings of a catenane are expected to execute unhindered rotation around each other, and to do so, they must have weak physical interactions with each other. Due to sequence programmability, DNA has become a popular material for nanoscale object engineering. However, current DNA catenanes, particularly in the single-stranded (ss) form, are synthesized through the formation of a linking duplex, which makes them less ideal as mobile elements for molecular machines. Herein we adopt a random library approach to engineer ssDNA [2] catenanes (two interlocked DNA rings) without a linking duplex. Results from DNA hybridization, double-stranded catenane synthesis and rolling circle amplification experiments signify that representative catenanes have weak physical interactions and are capable of operating as independent units. Our findings lay the foundation for exploring free-functioning interlocked DNA rings for the design of elaborate nanoscale machines based on DNA.

  15. Microcanonical fluctuations of the condensate in weakly interacting Bose gases

    SciTech Connect

    Idziaszek, Zbigniew

    2005-05-15

    We study fluctuations of the number of Bose condensed atoms in a weakly interacting homogeneous and trapped gases. For a homogeneous system we apply the particle-number-conserving formulation of the Bogoliubov theory and calculate the condensate fluctuations within the canonical and the microcanonical ensembles. We demonstrate that, at least in the low-temperature regime, predictions of the particle-number-conserving and traditional, nonconserving theory are identical, and lead to the anomalous scaling of fluctuations. Furthermore, the microcanonical fluctuations differ from the canonical ones by a quantity which scales normally in the number of particles, thus predictions of both ensembles are equivalent in the thermodynamic limit. We observe a similar behavior for a weakly interacting gas in a harmonic trap. This is in contrast to the trapped, ideal gas, where microcanonical and canonical fluctuations are different in the thermodynamic limit.

  16. ISOLTRAP Mass Measurements for Weak-Interaction Studies

    SciTech Connect

    Kellerbauer, A.; Delahaye, P.; Herlert, A.; Audi, G.; Guenaut, C.; Lunney, D.; Beck, D.; Herfurth, F.; Kluge, H.-J.; Mukherjee, M.; Rodriguez, D.; Weber, C.; Yazidjian, C.; Blaum, K.; Bollen, G.; Schwarz, S.; George, S.; Schweikhard, L.

    2006-04-26

    The conserved-vector-current (CVC) hypothesis of the weak interaction and the unitarity of the Cabibbo-Kobayashi-Maskawa (CKM) matrix are two fundamental postulates of the Standard Model. While existing data on CVC supports vector current conservation, the unitarity test of the CKM matrix currently fails by more than two standard deviations. High-precision mass measurements performed with the ISOLTRAP experiment at ISOLDE/CERN provide crucial input for these fundamental studies by greatly improving our knowledge of the decay energy of super-allowed {beta} decays. Recent results of mass measurements on the {beta} emitters 18Ne, 22Mg, 34Ar, and 74Rb as pertaining to weak-interaction studies are presented.

  17. Weak-interaction processes in core-collapse supernovae

    SciTech Connect

    Langanke, K.

    2015-02-24

    Weak interaction processes play an important role for the dynamics of a core-collapse supernova. Due to progress of nuclear modeling and constrained by data it has been possible to improve the rates of these processes for supernova conditions decisively. This manuscript describes the recent advances and the current status in deriving electron capture rates on nuclei and of inelastic neutrino-nucleus scattering for applications in supernova simulations and briefly discusses their impact on such studies.

  18. Differentiation of optical isomers through enhanced weak-field interactions

    NASA Technical Reports Server (NTRS)

    Aronowitz, S.

    1980-01-01

    The influence of weak field interaction terms due to the cooperative effects which arise from a macroscopic assemblage of interacting sites is studied. Differential adsorption of optical isomers onto an achiral surface is predicted to occur if the surface was continuous and sufficiently large. However, the quantity of discontinuous crystal surfaces did not enhance the percentage of differentiation and thus the procedure of using large quantities of small particles was not a viable technique for obtaining a detectable differentiation of optical isomers on an achiral surface.

  19. Interacting with image hierarchies for fast and accurate object segmentation

    NASA Astrophysics Data System (ADS)

    Beard, David V.; Eberly, David H.; Hemminger, Bradley M.; Pizer, Stephen M.; Faith, R. E.; Kurak, Charles; Livingston, Mark

    1994-05-01

    Object definition is an increasingly important area of medical image research. Accurate and fairly rapid object definition is essential for measuring the size and, perhaps more importantly, the change in size of anatomical objects such as kidneys and tumors. Rapid and fairly accurate object definition is essential for 3D real-time visualization including both surgery planning and Radiation oncology treatment planning. One approach to object definition involves the use of 3D image hierarchies, such as Eberly's Ridge Flow. However, the image hierarchy segmentation approach requires user interaction in selecting regions and subtrees. Further, visualizing and comprehending the anatomy and the selected portions of the hierarchy can be problematic. In this paper we will describe the Magic Crayon tool which allows a user to define rapidly and accurately various anatomical objects by interacting with image hierarchies such as those generated with Eberly's Ridge Flow algorithm as well as other 3D image hierarchies. Preliminary results suggest that fairly complex anatomical objects can be segmented in under a minute with sufficient accuracy for 3D surgery planning, 3D radiation oncology treatment planning, and similar applications. Potential modifications to the approach for improved accuracy are summarized.

  20. Accurate nuclear radii and binding energies from a chiral interaction

    DOE PAGES

    Ekstrom, Jan A.; Jansen, G. R.; Wendt, Kyle A.; ...

    2015-05-01

    With the goal of developing predictive ab initio capability for light and medium-mass nuclei, two-nucleon and three-nucleon forces from chiral effective field theory are optimized simultaneously to low-energy nucleon-nucleon scattering data, as well as binding energies and radii of few-nucleon systems and selected isotopes of carbon and oxygen. Coupled-cluster calculations based on this interaction, named NNLOsat, yield accurate binding energies and radii of nuclei up to 40Ca, and are consistent with the empirical saturation point of symmetric nuclear matter. In addition, the low-lying collective Jπ=3- states in 16O and 40Ca are described accurately, while spectra for selected p- and sd-shellmore » nuclei are in reasonable agreement with experiment.« less

  1. Accurate nuclear radii and binding energies from a chiral interaction

    SciTech Connect

    Ekstrom, Jan A.; Jansen, G. R.; Wendt, Kyle A.; Hagen, Gaute; Papenbrock, Thomas F.; Carlsson, Boris; Forssen, Christian; Hjorth-Jensen, M.; Navratil, Petr; Nazarewicz, Witold

    2015-05-01

    With the goal of developing predictive ab initio capability for light and medium-mass nuclei, two-nucleon and three-nucleon forces from chiral effective field theory are optimized simultaneously to low-energy nucleon-nucleon scattering data, as well as binding energies and radii of few-nucleon systems and selected isotopes of carbon and oxygen. Coupled-cluster calculations based on this interaction, named NNLOsat, yield accurate binding energies and radii of nuclei up to 40Ca, and are consistent with the empirical saturation point of symmetric nuclear matter. In addition, the low-lying collective Jπ=3- states in 16O and 40Ca are described accurately, while spectra for selected p- and sd-shell nuclei are in reasonable agreement with experiment.

  2. Limits Of Quantum Information In Weak Interaction Processes Of Hyperons

    PubMed Central

    Hiesmayr, B. C.

    2015-01-01

    We analyze the achievable limits of the quantum information processing of the weak interaction revealed by hyperons with spin. We find that the weak decay process corresponds to an interferometric device with a fixed visibility and fixed phase difference for each hyperon. Nature chooses rather low visibilities expressing a preference to parity conserving or violating processes (except for the decay Σ+→ pπ0). The decay process can be considered as an open quantum channel that carries the information of the hyperon spin to the angular distribution of the momentum of the daughter particles. We find a simple geometrical information theoretic interpretation of this process: two quantization axes are chosen spontaneously with probabilities where α is proportional to the visibility times the real part of the phase shift. Differently stated, the weak interaction process corresponds to spin measurements with an imperfect Stern-Gerlach apparatus. Equipped with this information theoretic insight we show how entanglement can be measured in these systems and why Bell’s nonlocality (in contradiction to common misconception in literature) cannot be revealed in hyperon decays. Last but not least we study under which circumstances contextuality can be revealed. PMID:26144247

  3. Weak nuclear interactions in neon-21 and neon-18

    SciTech Connect

    Von Lintig, Richard David

    1981-01-01

    The results of two experiments involving weak meson exchange among nucleons are reviewed. Measurements are described of the circular polarization of 2.789 MeV gamma rays associated with the 2.789/2.796 MeV parity mixed doublet in /sup 21/Ne. Also reported are measurements of the 0/sup +/ - 0/sup -/ beta decay from /sup 18/Ne to the 1.081 MeV 0/sup -/ state of /sup 18/F, itself part of a spin-zero doublet of considerable interest for parity mixing. The significance of the results to the theory of weak non-leptonic interactions is examined. An argument is repeated that more careful interpretation of the results in terms of the fundamental weak interaction is needed. The circular polarization of the 2.789 MeV radiation from /sup 21/Ne is (20 +- 26) x 10/sup -4/, a small result in view of the enhancement of this effect due to narrow doublet separation and the forbidden character of the transition. Simultaneous measurements of the circular polarization of 2.439 MeV radiation, which should not exhibit the parity violating effect even if the 1/2/sup -/ (2.789 MeV) state contains a significant parity impurity, indicate an absence of bias in the measurements. The relative probability of the 0/sup +/ - 0/sup -/ (1.081 MeV) decay from /sup 18/Ne is (2.26 +- .37) x 10/sup -4/. The two-body (or meson exchange) contribution to this transition is the isospin analog of parity mixing between the 1042-keV (J/sup ..pi../;T = 0/sup +/;1) and 1081-keV (J/sup ..pi../;T = 0/sup -/;0) states of /sup 18/F. The theoretical relation which has been shown to exist between these two weak interaction phenomena is recounted, so that the importance of the beta-decay measurement to non-leptonic weak interaction physics can be appreciated.

  4. Francium Trapping Facility at TRIUMF for weak interaction studies

    NASA Astrophysics Data System (ADS)

    Zhang, J.; Orozco, L. A.; Collister, R.; Gwinner, G.; Tandecki, M.; Behr, J. A.; Pearson, M. R.; Gomez, E.; Aubin, S.; Frpnc Collaboration

    2014-05-01

    We present the current status of the Francium Trapping Facility at TRIUMF. After successfully commissioning the capture chamber we are now in the process of finishing the science chamber where weak interaction measurements on Fr will be performed. We require transfer of the cold atoms from the capture chamber to the science chamber where they can be re-trapped for precision spectroscopy. The modular design of the science chamber allows for microwave studies for the anapole moment measurement and optical studies for the weak charge measurements using atomic parity non-conservation. We will present our current status and the plans for the commissioning run of the science chamber. Work supported by NSERC and NRC from Canada, NSF and DOE from USA, CONACYT from Mexico.

  5. Graphene on weakly interacting metals: Dirac states versus surface states

    NASA Astrophysics Data System (ADS)

    Jolie, Wouter; Craes, Fabian; Busse, Carsten

    2015-03-01

    We investigate the interplay between graphene and different, weakly interacting metal substrates by measuring the local density of states of the surface with scanning tunneling spectroscopy. Energy-resolved Friedel oscillations, confined states, and a prominent signal in point spectra are found after intercalating several monolayers of silver between graphene and Ir(111) and correspond to the shifted surface state of silver. These features outweigh spectroscopic signatures of graphene, which are retrieved when the amount of silver is reduced to one monolayer. Hence, suppressing the surface states of the metal substrate enhances the sensitivity to the Dirac states of quasi-free-standing graphene.

  6. Accurate weak lensing of standard candles. II. Measuring σ8 with supernovae

    NASA Astrophysics Data System (ADS)

    Quartin, Miguel; Marra, Valerio; Amendola, Luca

    2014-01-01

    Soon the number of type Ia supernova (SN) measurements should exceed 100 000. Understanding the effect of weak lensing by matter structures on the supernova brightness will then be more important than ever. Although SN lensing is usually seen as a source of systematic noise, we will show that it can be in fact turned into signal. More precisely, the non-Gaussianity introduced by lensing in the SN Hubble diagram dispersion depends rather sensitively on the amplitude σ8 of the matter power spectrum. By exploiting this relation, we are able to predict constraints on σ8 of 7% (3%) for a catalog of 100 000 (500 000) SNe of average magnitude error 0.12, without having to assume that such intrinsic dispersion and its redshift evolution are known a priori. The intrinsic dispersion has been assumed to be Gaussian; possible intrinsic non-Gaussianities in the data set (due to the SN themselves and/or to other transients) could be potentially dealt with by means of additional nuisance parameters describing higher moments of the intrinsic dispersion distribution function. This method is independent of and complementary to the standard methods based on cosmic microwave background, cosmic shear, or cluster abundance observables.

  7. Dynamics of vortices in weakly interacting Bose-Einstein condensates

    SciTech Connect

    Klein, Alexander; Jaksch, Dieter; Zhang Yanzhi; Bao Weizhu

    2007-10-15

    We study the dynamics of vortices in ideal and weakly interacting Bose-Einstein condensates using a Ritz minimization method to solve the two-dimensional Gross-Pitaevskii equation. For different initial vortex configurations we calculate the trajectories of the vortices. We find conditions under which a vortex-antivortex pair annihilates and is created again. For the case of three vortices we show that at certain times two additional vortices may be created, which move through the condensate and annihilate each other again. For a noninteracting condensate this process is periodic, whereas for small interactions the essential features persist, but the periodicity is lost. The results are compared to exact numerical solutions of the Gross-Pitaevskii equation confirming our analytical findings.

  8. Optimal parameters of gyrotrons with weak electron-wave interaction

    NASA Astrophysics Data System (ADS)

    Glyavin, M. Yu.; Oparina, Yu. S.; Savilov, A. V.; Sedov, A. S.

    2016-09-01

    In low-power gyrotrons with weak electron-wave interaction, there is a problem of determining the optimal length of the operating cavity, which is found as a result of a tradeoff between the enhancement of the electron efficiency and the increase in the Ohmic loss share with increasing cavity length. In fact, this is the problem of an optimal ratio between the diffraction and Ohmic Q-factors of the operating gyrotron mode, which determines the share of the radiated rf power lost in the cavity wall. In this paper, this problem is studied on the basis of a universal set of equations, which are appropriate for a wide class of electron oscillators with low efficiencies of the electron-wave interaction.

  9. Localization of weakly interacting Bose gas in quasiperiodic potential

    NASA Astrophysics Data System (ADS)

    Ray, Sayak; Pandey, Mohit; Ghosh, Anandamohan; Sinha, Subhasis

    2016-01-01

    We study the localization properties of weakly interacting Bose gas in a quasiperiodic potential. The Hamiltonian of the non-interacting system reduces to the well known ‘Aubry-André model’, which shows the localization transition at a critical strength of the potential. In the presence of repulsive interaction we observe multi-site localization and obtain a phase diagram of the dilute Bose gas by computing the superfluid fraction and the inverse participation ratio. We construct a low-dimensional classical Hamiltonian map and show that the onset of localization is manifested by the chaotic phase space dynamics. The level spacing statistics also identify the transition to localized states resembling a Poisson distribution that are ubiquitous for both non-interacting and interacting systems. We also study the quantum fluctuations within the Bogoliubov approximation and compute the quasiparticle energy spectrum. Enhanced quantum fluctuation and multi-site localization phenomenon of non-condensate density are observed above the critical coupling of the potential. We briefly discuss the effect of the trapping potential on the localization of matter wave.

  10. Calculating the Annihilation Rate of Weakly Interacting Massive Particles

    NASA Astrophysics Data System (ADS)

    Baumgart, Matthew; Rothstein, Ira Z.; Vaidya, Varun

    2015-05-01

    We develop a formalism that allows one to systematically calculate the weakly interacting massive particle (WIMP) annihilation rate into gamma rays whose energy far exceeds the weak scale. A factorization theorem is presented which separates the radiative corrections stemming from initial-state potential interactions from loops involving the final state. This separation allows us to go beyond the fixed order calculation, which is polluted by large infrared logarithms. For the case of Majorana WIMPs transforming in the adjoint representation of SU(2), we present the result for the resummed rate at leading double-log accuracy in terms of two initial-state partial-wave matrix elements and one hard matching coefficient. For a given model, one may calculate the cross section by finding the tree level matching coefficient and determining the value of a local four-fermion operator. The effects of resummation can be as large as 100% for a 20 TeV WIMP. However, for lighter WIMP masses relevant for the thermal relic scenario, leading-log resummation modifies the Sudakov factors only at the 10% level. Furthermore, given comparably sized Sommerfeld factors, the total effect of radiative corrections on the semi-inclusive photon annihilation rate is found to be percent level. The generalization of the formalism to other types of WIMPs is discussed.

  11. Hydrophilic interaction liquid chromatography with alcohol as a weak eluent.

    PubMed

    Liu, Min; Ostovic, Judy; Chen, Emily X; Cauchon, Nina

    2009-03-20

    There has been a significant increase of interest in polar compound separation by hydrophilic interaction liquid chromatography (HILIC), in which acetonitrile is mostly used as a weak eluent. Although replacing acetonitrile with alcohols as organic modifiers has been previously reported, the separation mechanism was poorly understood. In this paper we explored the separation mechanism through the method development for the analysis of the trace amounts of polar and basic hydrazines, which were genotoxic in nature. Separation parameters such as the type and concentration of alcohol, acid modifier, and buffer in mobile phase as well as the choice of stationary phase and column temperature were studied. The data indicated that both electrostatic and hydrophilic interactions contributed to the retention and separation of the hydrazines. The results presented here provide insight into the adjustment of the retention and separation of analytes in HILIC mode with alcohol as a weak eluent. The optimized HILIC method coupled with chemiluminescent nitrogen detection (CLND) is simple and sensitive (reporting limit at 0.02%) and was applied to simultaneous analysis of hydrazine and 1,1-dimethylhydrazine in a pharmaceutical intermediate.

  12. Interactive Isogeometric Volume Visualization with Pixel-Accurate Geometry.

    PubMed

    Fuchs, Franz G; Hjelmervik, Jon M

    2016-02-01

    A recent development, called isogeometric analysis, provides a unified approach for design, analysis and optimization of functional products in industry. Traditional volume rendering methods for inspecting the results from the numerical simulations cannot be applied directly to isogeometric models. We present a novel approach for interactive visualization of isogeometric analysis results, ensuring correct, i.e., pixel-accurate geometry of the volume including its bounding surfaces. The entire OpenGL pipeline is used in a multi-stage algorithm leveraging techniques from surface rendering, order-independent transparency, as well as theory and numerical methods for ordinary differential equations. We showcase the efficiency of our approach on different models relevant to industry, ranging from quality inspection of the parametrization of the geometry, to stress analysis in linear elasticity, to visualization of computational fluid dynamics results.

  13. The role of weak interactions in lignin polymerization.

    PubMed

    Sánchez-González, Ángel; Martín-Martínez, Francisco J; Dobado, J A

    2017-03-01

    Lignin is the most abundant natural polymer composed by aromatic moieties. Its chemical composition and its abundance have focused efforts to unlock its potential as a source of aromatic compounds for many years. The lack of a proper way for lignin de-polymerization has hampered its success as a natural solution for commodity aromatic chemicals, which is also due to the lack of understanding of the underlying mechanisms of lignin polymerization. A fuller fundamental understanding of polymerization mechanisms could lead to improvements in de-polymerization strategies, and therefore a proper methodology and a predictive theoretical framework are required for such purpose. This work presents a complete computational study on some of the key steps of lignin polymerization mechanisms. Density functional theory (DFT) calculations have been performed to evaluate the most appropriate methodology and to compute the chemical structures and reaction enthalpies for the monolignol dimerization, the simplest key step that controls the polymerization. Quantum theory of atoms in molecules (QTAIM) has been applied to understand the coupling reaction mechanisms, for which the radical species and transition states (TSs) involved have been characterized. The coupling that leads to the formation of the β-O-4 linkage has been theoretically reproduced according to proposed mechanisms, for which weak interactions have been found to play a key role in the arrangement of reactants. The hydrogen bond formed between the oxygen of the phenoxy radical, and the alcohol of the aliphatic chain, together with the interaction between aromatic rings, locates the reactants in a position that favors such β-O-4 linkage. Graphical Abstract QTAIM analysis of the complex between coumaryl and coniferyl alcohols. It emphasizes the importance of weak interactions during the formation of beta-O-4 linkages in the polymerization of lignin.

  14. Weakly interacting dark matter from the minimal walking technicolor

    SciTech Connect

    Kainulainen, Kimmo; Virkajärvi, Jussi; Tuominen, Kimmo E-mail: jussi.virkajarvi@jyu.fi

    2010-02-01

    We study a weakly interacting dark matter particle motivated by minimal walking technicolor theories. Our WIMP is a mixture of a sterile state and a state with the charges of a standard model fourth family neutrino. We show that the model can give the right amount of dark matter over a range of the WIMP mass and mixing angle. We compute bounds on the model parameters from the current accelerator data including the oblique corrections to the precision electroweak parameters, as well as from cryogenic experiments, Super-Kamiokande and from the IceCube experiment. We show that consistent dark matter solutions exist which satisfy all current constraints. However, almost the entire parameter range of the model lies within the the combined reach of the next generation experiments.

  15. Weakly interacting massive particle-nucleus elastic scattering response

    NASA Astrophysics Data System (ADS)

    Anand, Nikhil; Fitzpatrick, A. Liam; Haxton, W. C.

    2014-06-01

    Background: A model-independent formulation of weakly interacting massive particle (WIMP)-nucleon scattering was recently developed in Galilean-invariant effective field theory. Purpose: Here we complete the embedding of this effective interaction in the nucleus, constructing the most general elastic nuclear cross section as a factorized product of WIMP and nuclear response functions. This form explicitly defines what can and cannot be learned about the low-energy constants of the effective theory—and consequently about candidate ultraviolet theories of dark matter—from elastic scattering experiments. Results: We identify those interactions that cannot be reliably treated in a spin-independent/spin-dependent (SI/SD) formulation: For derivative- or velocity-dependent couplings, the SI/SD formulation generally mischaracterizes the relevant nuclear operator and its multipolarity (e.g., scalar or vector) and greatly underestimates experimental sensitivities. This can lead to apparent conflicts between experiments when, in fact, none may exist. The new nuclear responses appearing in the factorized cross section are related to familiar electroweak nuclear operators such as angular momentum l⃗(i) and the spin-orbit coupling σ⃗(i).l⃗(i). Conclusions: To unambiguously interpret experiments and to extract all of the available information on the particle physics of dark matter, experimentalists will need to (1) do a sufficient number of experiments with nuclear targets having the requisite sensitivities to the various operators and (2) analyze the results in a formalism that does not arbitrarily limit the candidate operators. In an appendix we describe a code that is available to help interested readers implement such an analysis.

  16. Mesons Glueballs and Composite Bosons of Weak Interaction.

    NASA Astrophysics Data System (ADS)

    Sinha, Rahul

    The thesis has two parts. In Part I, we study isoscalar meson mixing and glueballs. We examine the qq annihilation for meson mixing with a view to understand, why Q.C.D. gives a positive gluon annihilation amplitude, contrary to positronium which has a negative amplitude due to two photon annihilation. It turns out that this peculiar feature can be explained as a consequence of the confining nature of Q.C.D. We show that this is a very general property of Q.C.D., being independent of the mass or J('PC) of the qq. We find, that the mass of the isoscalar meson being lighter than the mass of the isovector necessitates the existence of a glueball. In particular for the 2('++) nonet the mass reversal m(f) < m(A(,2)), requires the tensor glueball mass to be greater than 1.885GeV. We construct a non orthogonal meson mixing model, where the decay rates of the mesons agree with experiments even without considering glueballs. We therefore conclude that the glueballs do not mix much with mesons. The meson masses however, depend very sensitively on the presence of nearby glueballs. We argue, that it is incorrect to expect (GAMMA)((PSI) (--->) glueball + (gamma)) to be the dominant radiative decay. Finally we look at some of the glueball candidates and conclude from the coupling of g(,T)'s to two gluons, that they are indeed glueballs. We are however unable to accommodate the (iota) as a glueball. In Part II, we examine the possibility of existence of composite bosons of weak interaction. Constraints from the anomalous magnetic moment of the electron are used to determine upper limits on the couplings of the bosons, an entire spectrum of which, may exist, in the composite model. It is found that the coupling of singlet or triplet pseudoscalar to leptons is very small. This explains the V, A nature of weak interactions. It is assumed that composite bosons have a structure similar to mesons where the constituents are preons instead of quarks. The present experimental status

  17. 20F beta spectrum shape and weak interaction tests

    NASA Astrophysics Data System (ADS)

    Voytas, Paul; George, Elizabeth; Chuna, Thomas; Naviliat-Cuncic, Oscar; Hughes, Max; Huyan, Xueying; Minamisono, Kei; Paulauskas, Stanley

    2016-09-01

    Precision measurements of the shape of beta spectra can test our understanding of the weak interaction. We are carrying out a measurement of the shape of the energy spectrum of β particles from 20F decay. The primary motivation is to test the so-called strong form of the conserved vector current (CVC) hypothesis. The measurement should also enable us to place competitive limits on the contributions of exotic tensor couplings in beta decay. We aim to achieve a relative precision better than 3% on the linear contribution to the shape. This represents an order of magnitude improvement compared to previous experiments in 20F. In order to control systematic effects, we are using a technique that takes advantage of high energy radioactive beams at the NSCL to implant the decaying nuclei in scintillation detectors deeply enough that the emitted beta particles cannot escape. The β-particle energy is measured with the implantation detector after switching off the implantation beam. Ancillary detectors are used to identify the 1.633-MeV γ-rays following the 20F β decay for coincidence measurements in order to tag the transition of interest and to reduce backgrounds. We report on the status of the analysis. Supported in part with Awards from the NSCL PAC and the National Science Foundation under Grant No. PHY-1506084.

  18. An efficient and accurate approximation to time-dependent density functional theory for systems of weakly coupled monomers

    NASA Astrophysics Data System (ADS)

    Liu, Jie; Herbert, John M.

    2015-07-01

    A novel formulation of time-dependent density functional theory (TDDFT) is derived, based on non-orthogonal, absolutely-localized molecular orbitals (ALMOs). We call this approach TDDFT(MI), in reference to ALMO-based methods for describing molecular interactions (MI) that have been developed for ground-state applications. TDDFT(MI) is intended for efficient excited-state calculations in systems composed of multiple, weakly interacting chromophores. The efficiency is based upon (1) a local excitation approximation; (2) monomer-based, singly-excited basis states; (3) an efficient localization procedure; and (4) a one-step Davidson method to solve the TDDFT(MI) working equation. We apply this methodology to study molecular dimers, water clusters, solvated chromophores, and aggregates of naphthalene diimide that form the building blocks of self-assembling organic nanotubes. Absolute errors of 0.1-0.3 eV with respect to supersystem methods are achievable for these systems, especially for cases involving an excited chromophore that is weakly coupled to several explicit solvent molecules. Excited-state calculations in an aggregate of nine naphthalene diimide monomers are ˜40 times faster than traditional TDDFT calculations.

  19. An efficient and accurate approximation to time-dependent density functional theory for systems of weakly coupled monomers.

    PubMed

    Liu, Jie; Herbert, John M

    2015-07-21

    A novel formulation of time-dependent density functional theory (TDDFT) is derived, based on non-orthogonal, absolutely-localized molecular orbitals (ALMOs). We call this approach TDDFT(MI), in reference to ALMO-based methods for describing molecular interactions (MI) that have been developed for ground-state applications. TDDFT(MI) is intended for efficient excited-state calculations in systems composed of multiple, weakly interacting chromophores. The efficiency is based upon (1) a local excitation approximation; (2) monomer-based, singly-excited basis states; (3) an efficient localization procedure; and (4) a one-step Davidson method to solve the TDDFT(MI) working equation. We apply this methodology to study molecular dimers, water clusters, solvated chromophores, and aggregates of naphthalene diimide that form the building blocks of self-assembling organic nanotubes. Absolute errors of 0.1-0.3 eV with respect to supersystem methods are achievable for these systems, especially for cases involving an excited chromophore that is weakly coupled to several explicit solvent molecules. Excited-state calculations in an aggregate of nine naphthalene diimide monomers are ∼40 times faster than traditional TDDFT calculations.

  20. Pushing the Limits of a Molecular Mechanics Force Field To Probe Weak CH···π Interactions in Proteins.

    PubMed

    Barman, Arghya; Batiste, Bruce; Hamelberg, Donald

    2015-04-14

    The relationship among biomolecular structure, dynamics, and function is far from being understood, and the role of subtle, weak interactions in stabilizing different conformational states is even less well-known. The cumulative effect of these interactions has broad implications for biomolecular stability and recognition and determines the equilibrium distribution of the ensemble of conformations that are critical for function. Here, we accurately capture the stabilizing effects of weak CH···π interaction using an empirical molecular mechanics force field in excellent agreement with experiments. We show that the side chain of flanking C-terminal aromatic residues preferentially stabilize the cis isomer of the peptidyl-prolyl bond of the protein backbone through this weak interaction. Cis-trans isomerization of peptidyl-prolyl protein bond plays a pivotal role in many cellular processes, including signal transduction, substrate recognition, and many diseases. Although the cis isomer is relatively less stable than the trans isomer, aromatic side chains of neighboring residues can play a significant role in stabilizing the cis relative to the trans isomer. We carry out extensive regular and accelerated molecular dynamics simulations and establish an approach to simulate the pH profile of the cis/trans ratio in order to probe the stabilizing role of the CH···π interaction. The results agree very well with NMR experiments, provide detailed atomistic description of this crucial biomolecular interaction, and underscore the importance of weak stabilizing interactions in protein function.

  1. Weak interactive forces govern the interaction between a non-ionic surfactant with human serum albumin

    NASA Astrophysics Data System (ADS)

    Ghosh, Narayani; Mondal, Ramakanta; Deshmukh, Arundhati; Dutta, Sanjay; Mukherjee, Saptarshi

    2015-08-01

    The effect of the non-ionic surfactant Tween 40 (TW40) on Human Serum Albumin (HSA) has been studied by spectroscopic and isothermal titration calorimetric (ITC) methods. Our steady-state and time-resolved spectroscopic results reveal the perturbation of the native protein conformation upon interaction with TW40. The interaction of TW40 with HSA does not occur in a sequential manner unlike another anionic surfactant, sodium dodecyl sulfate (SDS). Our major conclusion is that the HSA-TW40 interaction is mainly driven by weak forces like van der Waal/hydrogen bonding interactions. This is also generalized from the results of interaction of HSA with another non-ionic surfactant TW80.

  2. Role of the multipolar electrostatic interaction energy components in strong and weak cation-π interactions.

    PubMed

    Kadlubanski, Pawel; Calderón-Mojica, Katherine; Rodriguez, Weyshla A; Majumdar, D; Roszak, Szczepan; Leszczynski, Jerzy

    2013-08-22

    Density functional and Møller-Plesset second-order perturbation (MP2) calculations have been carried out on various model cation-π complexes formed through the interactions of Mg(2+), Ca(2+), and NH4(+) cations with benzene, p-methylphenol, and 3-methylindole. Partial hydration of the metal cations was also considered in these model studies to monitor the effect of hydration of cations in cation-π interactions. The binding energies of these complexes were computed from the fully optimized structures using coupled cluster calculations including triple excitations (CCSD(T)) and Gaussian-G4-MP2 (G4MP2) techniques. An analysis of the charge sharing between the donor (the π-systems) and the acceptors (the cations) together with the partitioning of total interaction energies revealed that the strong and weak cation-π interactions have similar electrostatic interaction properties. Further decomposition of such electrostatic terms into their multipolar components showed the importance of the charge-dipole, charge-quadrupole, and charge-octopole terms in shaping the electrostatic forces in such interactions. The computed vibrational spectra of the complexes were analyzed for the specific cation-π interaction modes and have been shown to contain the signature of higher order electrostatic interaction energy components (quadrupole and octopole) in such interactions.

  3. Can dielectric spheres accurately model atomic-scale interactions?

    NASA Astrophysics Data System (ADS)

    Obolensky, O. I.; Doerr, T. P.; Ogurtsov, A. Y.; Yu, Yi-Kuo

    2016-10-01

    We calculate the polarization portion of electrostatic interactions at the atomic scale using quantum-mechanical methods such as density functional theories (DFT) and the coupled cluster approach, and using classical methods such as a surface charge method and a polarizable force field. The agreement among various methods is investigated. Using the coupled clusters method CCSD(T) with large basis sets as the reference, we find that for systems comprising two to six atoms and ions in S-states the classical surface charge method performs much better than commonly used DFT methods with moderate basis sets such as B3LYP/6-31G(d,p). The remarkable performance of the classical approach comes as a surprise. The present results indicate that the use of a rigorous formalism of classical electrostatics can be better justified for determining molecular interactions at intermediate distances than some of the widely used methods of quantum chemistry.

  4. Left-right symmetry in weak interactions: present status

    SciTech Connect

    Senjanovic, G.

    1983-01-01

    The basic features of the left-right symmetric electroweak theory are reviewed. The experimental situation regarding the scale M/sub R/ of the breakdown of parity is summarized. I further discuss in detail the connection with weak and strong CP violation and especially, grand unification. Also covered are the issues of cosmological domain walls and the compositeness of quarks and leptons. 57 references.

  5. Accurate first principles model potentials for intermolecular interactions.

    PubMed

    Gordon, Mark S; Smith, Quentin A; Xu, Peng; Slipchenko, Lyudmila V

    2013-01-01

    The general effective fragment potential (EFP) method provides model potentials for any molecule that is derived from first principles, with no empirically fitted parameters. The EFP method has been interfaced with most currently used ab initio single-reference and multireference quantum mechanics (QM) methods, ranging from Hartree-Fock and coupled cluster theory to multireference perturbation theory. The most recent innovations in the EFP model have been to make the computationally expensive charge transfer term much more efficient and to interface the general EFP dispersion and exchange repulsion interactions with QM methods. Following a summary of the method and its implementation in generally available computer programs, these most recent new developments are discussed.

  6. The FrPNC Experiment, weak interaction studies in Francium at TRIUMF

    NASA Astrophysics Data System (ADS)

    Gomez, E.; Aubin, S.; Collister, R.; Behr, J. A.; Gwinner, G.; Orozco, L. A.; Pearson, M. R.; Tandecki, M.; Sheng, D.; Zhang, J.

    2012-09-01

    Francium is an excellent system to study the nuclear weak force due to its large nucleus and relatively simple atomic structure. The FrPNC experiment has a facility to produce cold trapped atomic francium samples for parity non-conservation studies. We are preparing to measure both the nuclear spin independent and dependent parts of the weak interaction in francium. The first one gives information about weak neutral currents at low energies, while the second one is sensitive to weak interactions between nucleons. We present the current status of the experiment.

  7. How accurate are chronic wound assessments using interactive video technology?

    PubMed

    Gardner, S E; Frantz, R A; Specht, J K; Johnson-Mekota, J L; Buresh, K A; Wakefield, B; Flanagan, J

    2001-01-01

    This project examined the accuracy of chronic wound assessments made using an interactive, video telecommunications system (Teledoc 5000, NEC America, Inc., Irving, TX) by comparing a nurse expert's in-person wound assessments with wound assessments made from taped Teledoc sessions. Wound assessments determined the absence or presence of nine wound characteristics instrumental in guiding treatment (e.g., tunneling, undermining, granulation tissue, necrotic tissue, epithelial tissue, purulent exudate, erythema, edema, induration). A sample of 13 paired wound observations was analyzed. The accuracy of the Teledoc technology was examined by calculating the amount of agreement between the in-person assessments and the taped Teledoc assessments for each of the nine characteristics. Agreement for eight of the nine wound characteristic exceeded 75%, suggesting this telehealth medium does not alter wound assessment data, which are essential in guiding treatment decisions. In addition to connecting the remotely based nurse with nursing expertise to improve patient care, telehealth technology seemed to increase the remotely-based nurses' knowledge of wound assessment and treatment as well.

  8. Weak interaction studies with an on-line Penning trap mass spectrometer.

    SciTech Connect

    Barber, R. C.; Buchinger, F.; Crawford, J. E.; Feng, X.; Gulick, S.; Hackman, G.; Hardy, J. C.; Lee, J. K. P.; Moore, R. B.; Savard, G.; Sharma, K. S.; Uusitalo, J.

    1999-03-10

    Superallowed {beta}-decays are a sensitive probe of the fundamental aspects of the weak interaction. Such decays are used to stringently test the CVC hypothesis, deduce a precise value of the weak vector coupling constant, test the unitarity of the CKM matrix and look for deviation from the V-A structure for the weak interaction. The ability to efficiently capture and store short-lived superallowed beta-emitters in ion traps will help to elucidate discrepancies in the most precise unitarity test of the CKM matrix and tighten the present limits on interactions outside the standard V-A form.

  9. Neutral-current weak interactions at an EIC

    NASA Astrophysics Data System (ADS)

    Zhao, Y. X.; Deshpande, A.; Huang, J.; Kumar, K. S.; Riordan, S.

    2017-03-01

    A simulation study of measurements of neutral current structure functions of the nucleon at the future high-energy and high-luminosity polarized electron-ion collider (EIC) is presented. A new series of γ- Z interference structure functions, F1^{γ Z}, F3^{γ Z}, g1^{γ Z}, g5^{γ Z} become accessible via parity-violating asymmetries in polarized electron-nucleon deep inelastic scattering (DIS). Within the context of the quark-parton model, they provide a unique and, in some cases, yet-unmeasured combination of unpolarized and polarized parton distribution functions. The uncertainty projections for these structure functions using electron-proton collisions are considered for various EIC beam energy configurations. Also presented are uncertainty projections for measurements of the weak mixing angle sin2 θW using electron-deuteron collisions which cover a much higher Q2 than that accessible in fixed target measurements. QED and QCD radiative corrections and effects of detector smearing are included with the calculations.

  10. The thermodynamic analysis of weak protein interactions using sedimentation equilibrium

    PubMed Central

    Dolinska, Monika B.; Wingfield, Paul T.

    2014-01-01

    Proteins self-associate to form dimers and tetramers. Purified proteins are used to study the thermodynamics of protein interactions using the analytical ultracentrifuge. In this approach, monomer – dimer equilibrium constants are directly measured at various temperatures. Data analysis is used to derive thermodynamic parameters such as Gibbs free energy, enthalpy and entropy which can predict which major forces are involved in protein association. PMID:25081741

  11. Theory and phenomenology of strong and weak interaction high energy physics

    SciTech Connect

    Carruthers, P.; Thews, R.L.

    1990-08-29

    This paper deals with research being conducted at the University of Arizona in the theory of strong and weak interactions. Topics in Quantum chromodynamics, quantum electrodynamics, symmetry principle, hadronic structure of the photon and other are discussed. (LSP)

  12. Evidence of Hybrid Excitons in Weakly Interacting Nanopeapods

    PubMed Central

    2013-01-01

    Nanopeapods, consisting of optically active π-conjugated molecules encapsulated inside of the cavity of carbon nanotubes, exhibit efficient photon emission in the visible spectral range. Combining optical experiments with ab initio theory, we show that the puzzling features observed in photoluminescence spectra are of excitonic nature. The subunits though being van der Waals bound are demonstrated to interact in the excited state, giving rise to the formation of hybrid excitons. We rationalize why this many-body effect makes such nanohybrids useful for optoelectronic devices. PMID:23991266

  13. Weak Interaction Measurements with Optically Trapped Radioactive Atoms

    SciTech Connect

    Vieira, D.J.; Crane, S.G.; Guckert, R.; Zhao, X.; Brice, S.J.; Goldschmidt, A.; Hime, A.; Tupa, D.

    1999-07-16

    This is the final report of a three-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The goal of this project is to apply the latest in magneto-optical and pure magnetic trapping technology to concentrate, cool, confine, and polarize radioactive atoms for precise electroweak interaction measurements. In particular, the authors have concentrated their efforts on the trapping of {sup 82}Rb for a parity-violating, beta-asymmetry measurement. Progress has been made in successfully trapping of up to 6 million {sup 82}Rb(t{sub 1/2}=75s) atoms in a magneto-optical trap coupled to a mass separator. This represents a two order of magnitude improvement in the number trapped radioactive atoms over all previous work. They have also measured the atomic hyperfine structure of {sup 82}Rb and demonstrated the MOT-to-MOT transfer and accumulation of atoms in a second trap. Finally, they have constructed and tested a time-orbiting-potential magnetic trap that will serve as a rotating beacon of spin-polarized nuclei and a beta-telescope detection system. Prototype experiments are now underway with the initial goal of making a 1% measurements of the beta-asymmetry parameter A which would match the world's best measurements.

  14. An Investigation of Human-Computer Interaction Approaches Beneficial to Weak Learners in Complex Animation Learning

    ERIC Educational Resources Information Center

    Yeh, Yu-Fang

    2016-01-01

    Animation is one of the useful contemporary educational technologies in teaching complex subjects. There is a growing interest in proper use of learner-technology interaction to promote learning quality for different groups of learner needs. The purpose of this study is to investigate if an interaction approach supports weak learners, who have…

  15. Review Article: The weak interactive characteristic of resonance cells and broadband effect of metamaterials

    SciTech Connect

    Zhao, Xiaopeng Song, Kun

    2014-10-15

    Metamaterials are artificial media designed to control electromagnetic wave propagation. Due to resonance, most present-day metamaterials inevitably suffer from narrow bandwidth, extremely limiting their practical applications. On the basis of tailored properties, a metamaterial within which each distinct unit cell resonates at its inherent frequency and has almost no coupling effect with the other ones, termed as weak interaction system, can be formulated. The total response of a weak interaction system can be treated as an overlap of the single resonance spectrum of each type of different unit cells. This intriguing feature therefore makes it possible to accomplish multiband or broadband metamaterials in a simple way. By introducing defects into metamaterials to form a weak interaction system, multiband and broadband electromagnetic metamaterials have first been experimentally demonstrated by our group. The similar concept can also be readily extended to acoustic and seismic metamaterials.

  16. Insights into the Complexity of Weak Intermolecular Interactions Interfering in Host-Guest Systems.

    PubMed

    Zhang, Dawei; Chatelet, Bastien; Serrano, Eloisa; Perraud, Olivier; Dutasta, Jean-Pierre; Robert, Vincent; Martinez, Alexandre

    2015-10-05

    The recognition properties of heteroditopic hemicryptophane hosts towards anions, cations, and neutral pairs, combining both cation-π and anion-π interaction sites, were investigated to probe the complexity of interfering weak intermolecular interactions. It is suggested from NMR experiments, and supported by CASSCF/CASPT2 calculations, that the binding constants of anions can be modulated by a factor of up to 100 by varying the fluorination sites on the electron-poor aromatic rings. Interestingly, this subtle chemical modification can also reverse the sign of cooperativity in ion-pair recognition. Wavefunction calculations highlight how short- and long-range interactions interfere in this recognition process, suggesting that a disruption of anion-π interactions can occur in the presence of a co-bound cation. Such molecules can be viewed as prototypes for examining complex processes controlled by the competition of weak interactions.

  17. A novel microfluidics-based method for probing weak protein-protein interactions.

    PubMed

    Tan, Darren Cherng-wen; Wijaya, I Putu Mahendra; Andreasson-Ochsner, Mirjam; Vasina, Elena Nikolaevna; Nallani, Madhavan; Hunziker, Walter; Sinner, Eva-Kathrin

    2012-08-07

    We report the use of a novel microfluidics-based method to detect weak protein-protein interactions between membrane proteins. The tight junction protein, claudin-2, synthesised in vitro using a cell-free expression system in the presence of polymer vesicles as membrane scaffolds, was used as a model membrane protein. Individual claudin-2 molecules interact weakly, although the cumulative effect of these interactions is significant. This effect results in a transient decrease of average vesicle dispersivity and reduction in transport speed of claudin-2-functionalised vesicles. Polymer vesicles functionalised with claudin-2 were perfused through a microfluidic channel and the time taken to traverse a defined distance within the channel was measured. Functionalised vesicles took 1.19 to 1.69 times longer to traverse this distance than unfunctionalised ones. Coating the channel walls with protein A and incubating the vesicles with anti-claudin-2 antibodies prior to perfusion resulted in the functionalised vesicles taking 1.75 to 2.5 times longer to traverse this distance compared to the controls. The data show that our system is able to detect weak as well as strong protein-protein interactions. This system offers researchers a portable, easily operated and customizable platform for the study of weak protein-protein interactions, particularly between membrane proteins.

  18. Interacting weak topological insulators and their transition to Dirac semimetal phases

    NASA Astrophysics Data System (ADS)

    Sangiovanni, Giorgio; Hanke, Werner; Li, Gang; Trauzettel, Bjoern

    Topological insulators in the presence of strong Coulomb interaction constitute novel phases of matter. Transitions between these phases can be driven by single-particle or many-body effects. On the basis of ab-initio calculations, we identify a concrete material, i.e. Ca2PtO4, that turns out to be a hole-doped weak topological insulator. Interestingly, the Pt- d orbitals in this material are relevant for the band inversion that gives rise to the topological phase. Therefore, Coulomb interaction should be of importance in Ca2PtO4. To study the influence of interactions on the weak topological insulating phase, we look at a toy model corresponding to a layer-stacked 3D version of the Bernevig-Hughes-Zhang model with local interactions. For small to intermediate interaction strength, we discover novel interaction-driven topological phase transitions between the weak topological insulator and two Dirac semimetal phases. The latter correspond to gapless topological phases. For strong interactions, the system eventually becomes a Mott insulator. DFG Grant No. Ha 1537/23-1 within the Forschergruppe FOR 1162, SPP Grant Ha 1537/24-2, SFB 1170 ``ToCoTronics'', SPP 1666, the Helmholtz Foundation (VITI), the ``Elitenetzwerk Bayern'' (ENB graduate school on ``Topological insulators'').

  19. Interacting weak topological insulators and their transition to Dirac semimetal phases

    NASA Astrophysics Data System (ADS)

    Li, Gang; Hanke, Werner; Sangiovanni, Giorgio; Trauzettel, Björn

    2015-12-01

    Topological insulators in the presence of a strong Coulomb interaction constitute novel phases of matter. Transitions between these phases can be driven by single-particle or many-body effects. On the basis of ab initio calculations, we identify a concrete material, i.e., Ca2PtO4 , that turns out to be a hole-doped weak topological insulator. Interestingly, the Pt d orbitals in this material are relevant for the band inversion that gives rise to the topological phase. Therefore, Coulomb interactions should be of importance in Ca2PtO4 . To study the influence of interactions on the weak topological insulating phase, we look at a toy model corresponding to a layer-stacked three-dimensional version of the Bernevig-Hughes-Zhang model with local interactions. For a low to intermediate interaction strength, we discover novel interaction-driven topological phase transitions between the weak topological insulator and two Dirac semimetal phases. The latter correspond to gapless topological phases. For strong interactions, the system eventually becomes a Mott insulator.

  20. How to conduct and interpret ITC experiments accurately for cyclodextrin-guest interactions.

    PubMed

    Bouchemal, Kawthar; Mazzaferro, Silvia

    2012-06-01

    Isothermal titration calorimetry (ITC) is one of the most interesting methods for the characterization of the interaction mechanisms of cyclodextrins (CDs) with drugs. In this review we explain how to conduct ITC experiments correctly for CD-guest interactions, how to choose an accurate fitting model for the titration curve and how to interpret carefully the ITC results. Finally, the use of ITC for the characterization of CD-containing nanoparticles is discussed.

  1. A weakly nonlinear theory for wave-vortex interactions in curved channel flow

    NASA Technical Reports Server (NTRS)

    Singer, Bart A.; Erlebacher, Gordon; Zang, Thomas A.

    1992-01-01

    A weakly nonlinear theory is developed to study the interaction of Tollmien-Schlichting (TS) waves and Dean vortices in curved channel flow. The predictions obtained from the theory agree well with results obtained from direct numerical simulations of curved channel flow, especially for low amplitude disturbances. Some discrepancies in the results of a previous theory with direct numerical simulations are resolved.

  2. Prethermal Floquet Steady States and Instabilities in the Periodically Driven, Weakly Interacting Bose-Hubbard Model.

    PubMed

    Bukov, Marin; Gopalakrishnan, Sarang; Knap, Michael; Demler, Eugene

    2015-11-13

    We explore prethermal Floquet steady states and instabilities of the weakly interacting two-dimensional Bose-Hubbard model subject to periodic driving. We develop a description of the nonequilibrium dynamics, at arbitrary drive strength and frequency, using a weak-coupling conserving approximation. We establish the regimes in which conventional (zero-momentum) and unconventional [(π,π)-momentum] condensates are stable on intermediate time scales. We find that condensate stability is enhanced by increasing the drive strength, because this decreases the bandwidth of quasiparticle excitations and thus impedes resonant absorption and heating. Our results are directly relevant to a number of current experiments with ultracold bosons.

  3. Weakly Hydrated Surfaces and the Binding Interactions of Small Biological Solutes

    SciTech Connect

    Brady, J. W.; Tavagnacco, L.; Ehrlich, L.; Chen, M.; Schnupf, U.; Himmel, M. E.; Saboungi, M. L.; Cesaro, A.

    2012-04-01

    Extended planar hydrophobic surfaces, such as are found in the side chains of the amino acids histidine, phenylalanine, tyrosine, and tryptophan, exhibit an affinity for the weakly hydrated faces of glucopyranose. In addition, molecular species such as these, including indole, caffeine, and imidazole, exhibit a weak tendency to pair together by hydrophobic stacking in aqueous solution. These interactions can be partially understood in terms of recent models for the hydration of extended hydrophobic faces and should provide insight into the architecture of sugar-binding sites in proteins.

  4. Weakly hydrated surfaces and the binding interactions of small biological solutes.

    PubMed

    Brady, John W; Tavagnacco, Letizia; Ehrlich, Laurent; Chen, Mo; Schnupf, Udo; Himmel, Michael E; Saboungi, Marie-Louise; Cesàro, Attilio

    2012-04-01

    Extended planar hydrophobic surfaces, such as are found in the side chains of the amino acids histidine, phenylalanine, tyrosine, and tryptophan, exhibit an affinity for the weakly hydrated faces of glucopyranose. In addition, molecular species such as these, including indole, caffeine, and imidazole, exhibit a weak tendency to pair together by hydrophobic stacking in aqueous solution. These interactions can be partially understood in terms of recent models for the hydration of extended hydrophobic faces and should provide insight into the architecture of sugar-binding sites in proteins.

  5. Supramolecular Recognition Forces: An Examination of Weak Metal-Metal Interactions in Host-Guest Formation

    SciTech Connect

    Crowley, James D.; Steele, Ian M.; Bosnich, B.

    2008-10-03

    Molecular receptors consisting of two parallel-disposed terpy-M-Cl units (M = Pd{sup 2+}, Pt{sup 2+}) are used to form host-guest adducts with aromatic molecules and with neutral square-planar Pt{sup 2+} complexes. Host-guest formation is controlled by several factors including {pi}-{pi} interactions and, in some cases, weak Pt-Pt interactions between the host and the guest. This latter interaction was examined by comparing the host-guest stability of adducts formed by isoelectronic Pt{sup 2+} and Au{sup 3+} complexes with the Pt{sup 2+} receptor. Consistently, the former is more stable.

  6. Theoretical studies of weak interactions of formamide with methanol and its derivates

    NASA Astrophysics Data System (ADS)

    Zheng, Xiao-Wen; Wang, Lu; Han, Shu-Min; Cui, Xiang-Yang; Du, Chong-Yang; Liu, Tao

    2015-08-01

    Theoretical calculations have been performed for the complexes of formamide (FA) with methanol and its derivates (MAX, X = F, Cl, Br, NO2, H, OH, CH3, and NH2) to study their structures and properties. Substituent effects on the hydrogen bond (H-bond) strength and cooperative effect by using water and its derivatives (HOZ, Z = H, NH2, and Br) as weak interaction probe were also explored. The calculation results show that electron-donating groups strengthen the weak interaction between formamide with methanol whereas electron-withdrawing groups weaken it. The cooperativity is present for the N-HïO H-bond in MAX-FA-HOZ and the cooperative effect increases in a series HONH2, HOH, and HOBr. In addition, we investigated the interaction between FA with hypohalous acids HOY (Y = F, Cl, and Br). It was found that the weak interaction between FA and HOY became stronger with the increase of the size of halogen atom. The nature of the halogen atom has negligible impact on the strength of the H-bond in MAX-FA (X = F, Cl, and Br), whereas it has an obvious influence on the strength of the H-bond in HOY-FA (Y = F, Cl, and Br).

  7. The surprising influence of late charged current weak interactions on Big Bang Nucleosynthesis

    NASA Astrophysics Data System (ADS)

    Grohs, E.; Fuller, George M.

    2016-10-01

    The weak interaction charged current processes (νe + n ↔ p +e-; νbare + p ↔ n +e+; n ↔ p +e- +νbare) interconvert neutrons and protons in the early universe and have significant influence on Big Bang Nucleosynthesis (BBN) light-element abundance yields, particularly that for 4He. We demonstrate that the influence of these processes is still significant even when they operate well below temperatures T ∼ 0.7 MeV usually invoked for "weak freeze-out," and in fact down nearly into the alpha-particle formation epoch (T ≈ 0.1 MeV). This physics is correctly captured in commonly used BBN codes, though this late-time, low-temperature persistent effect of the isospin-changing weak processes, and the sensitivity of the associated rates to lepton energy distribution functions and blocking factors are not widely appreciated. We quantify this late-time influence by analyzing weak interaction rate dependence on the neutron lifetime, lepton energy distribution functions, entropy, the proton-neutron mass difference, and Hubble expansion rate. The effects we point out here render BBN a keen probe of any beyond-standard-model physics that alters lepton number/energy distributions, even subtly, in epochs of the early universe all the way down to near T = 100 keV.

  8. Dependence of weak interaction rates on the nuclear composition during stellar core collapse

    NASA Astrophysics Data System (ADS)

    Furusawa, Shun; Nagakura, Hiroki; Sumiyoshi, Kohsuke; Kato, Chinami; Yamada, Shoichi

    2017-02-01

    We investigate the influences of the nuclear composition on the weak interaction rates of heavy nuclei during the core collapse of massive stars. The nuclear abundances in nuclear statistical equilibrium (NSE) are calculated by some equation of state (EOS) models including in-medium effects on nuclear masses. We systematically examine the sensitivities of electron capture and neutrino-nucleus scattering on heavy nuclei to the nuclear shell effects and the single-nucleus approximation. We find that the washout of the shell effect at high temperatures brings significant change to weak rates by smoothing the nuclear abundance distribution: the electron capture rate decreases by ˜20 % in the early phase and increases by ˜40 % in the late phase at most, while the cross section for neutrino-nucleus scattering is reduced by ˜15 % . This is because the open-shell nuclei become abundant instead of those with closed neutron shells as the shell effects disappear. We also find that the single-nucleus description based on the average values leads to underestimations of weak rates. Electron captures and neutrino coherent scattering on heavy nuclei are reduced by ˜80 % in the early phase and by ˜5 % in the late phase, respectively. These results indicate that NSE like EOS accounting for shell washout is indispensable for the reliable estimation of weak interaction rates in simulations of core-collapse supernovae.

  9. The Crucial Role of Neutron β-DECAY Experiments in Establishing the Fundamental Symmetries of the V-A Description of Weak Interactions

    NASA Astrophysics Data System (ADS)

    Byrne, J.

    2011-03-01

    Experimental data from unpolarized and polarized neutron beta -decay yield accurate values for the basic parameters of the P-violating T-conserving charged current weak interaction, thereby posing a potentially stringent unitarity test of the CKM quark mixing matrix. Experimental studies of the radiative (BR ~3.10-3) and two-body (BR ~ 4.10-6) decay branches are currently in progress.

  10. Carbene footprinting accurately maps binding sites in protein–ligand and protein–protein interactions

    PubMed Central

    Manzi, Lucio; Barrow, Andrew S.; Scott, Daniel; Layfield, Robert; Wright, Timothy G.; Moses, John E.; Oldham, Neil J.

    2016-01-01

    Specific interactions between proteins and their binding partners are fundamental to life processes. The ability to detect protein complexes, and map their sites of binding, is crucial to understanding basic biology at the molecular level. Methods that employ sensitive analytical techniques such as mass spectrometry have the potential to provide valuable insights with very little material and on short time scales. Here we present a differential protein footprinting technique employing an efficient photo-activated probe for use with mass spectrometry. Using this methodology the location of a carbohydrate substrate was accurately mapped to the binding cleft of lysozyme, and in a more complex example, the interactions between a 100 kDa, multi-domain deubiquitinating enzyme, USP5 and a diubiquitin substrate were located to different functional domains. The much improved properties of this probe make carbene footprinting a viable method for rapid and accurate identification of protein binding sites utilizing benign, near-UV photoactivation. PMID:27848959

  11. Carbene footprinting accurately maps binding sites in protein-ligand and protein-protein interactions.

    PubMed

    Manzi, Lucio; Barrow, Andrew S; Scott, Daniel; Layfield, Robert; Wright, Timothy G; Moses, John E; Oldham, Neil J

    2016-11-16

    Specific interactions between proteins and their binding partners are fundamental to life processes. The ability to detect protein complexes, and map their sites of binding, is crucial to understanding basic biology at the molecular level. Methods that employ sensitive analytical techniques such as mass spectrometry have the potential to provide valuable insights with very little material and on short time scales. Here we present a differential protein footprinting technique employing an efficient photo-activated probe for use with mass spectrometry. Using this methodology the location of a carbohydrate substrate was accurately mapped to the binding cleft of lysozyme, and in a more complex example, the interactions between a 100 kDa, multi-domain deubiquitinating enzyme, USP5 and a diubiquitin substrate were located to different functional domains. The much improved properties of this probe make carbene footprinting a viable method for rapid and accurate identification of protein binding sites utilizing benign, near-UV photoactivation.

  12. Carbene footprinting accurately maps binding sites in protein-ligand and protein-protein interactions

    NASA Astrophysics Data System (ADS)

    Manzi, Lucio; Barrow, Andrew S.; Scott, Daniel; Layfield, Robert; Wright, Timothy G.; Moses, John E.; Oldham, Neil J.

    2016-11-01

    Specific interactions between proteins and their binding partners are fundamental to life processes. The ability to detect protein complexes, and map their sites of binding, is crucial to understanding basic biology at the molecular level. Methods that employ sensitive analytical techniques such as mass spectrometry have the potential to provide valuable insights with very little material and on short time scales. Here we present a differential protein footprinting technique employing an efficient photo-activated probe for use with mass spectrometry. Using this methodology the location of a carbohydrate substrate was accurately mapped to the binding cleft of lysozyme, and in a more complex example, the interactions between a 100 kDa, multi-domain deubiquitinating enzyme, USP5 and a diubiquitin substrate were located to different functional domains. The much improved properties of this probe make carbene footprinting a viable method for rapid and accurate identification of protein binding sites utilizing benign, near-UV photoactivation.

  13. Contribution of excited states to stellar weak-interaction rates in odd-A nuclei

    NASA Astrophysics Data System (ADS)

    Sarriguren, P.

    2016-05-01

    Weak-interaction rates, including β decay and electron capture, are studied in several odd-A nuclei in the p f -shell region at various densities and temperatures of astrophysical interest. Special attention is paid to the relative contribution to these rates of thermally populated excited states in the decaying nucleus. The nuclear structure involved in the weak processes is studied within a quasiparticle random-phase approximation with residual interactions in both particle-hole and particle-particle channels on top of a deformed Skyrme Hartree-Fock mean field with pairing correlations. In the range of densities and temperatures considered, it is found that the total rates do not differ much from the rates of the ground state fully populated. In any case, the changes are not larger than the uncertainties due to the nuclear-model dependence of the rates.

  14. Accurate control of a Bose-Einstein condensate by managing the atomic interaction

    SciTech Connect

    Morales-Molina, L.; Arevalo, E.

    2010-07-15

    We exploit the variation of the atomic interaction in order to move ultracold atoms with attractive interaction across an ac-driven periodic lattice. By breaking relevant symmetries, a gathering of atoms is achieved. Accurate control of the gathered atoms' positions can be demonstrated via the control of the atomic localization process. The localization process is analyzed with the help of the nonlinear Floquet states where the Landau-Zener tunneling between states is observed and controlled. Transport effects in the presence of disorder are discussed.

  15. Strong and weak interactions in B→ππK decays

    NASA Astrophysics Data System (ADS)

    Loiseau, B.; El-Bennich, B.; Furman, A.; Kamiński, R.; Leśniak, L.

    2007-06-01

    To describe the weak three-body decays B→ππK, we recently derived amplitudes based on two-body QCD factorization followed by ππ final state interactions in isoscalar S- and isovector P -waves. We study here the sensitivity of the results to the values of the B to f0(980) transition form factor and to the effective decay constant of the f0(980).

  16. CP violation in weak interactions from orbifold reduction: Possible unification structures

    NASA Astrophysics Data System (ADS)

    Cosme, N.; Frère, J.-M.

    2004-02-01

    We present a mechanism to generate complex phases from real 4+1 dimensional couplings in a model of weak interactions through dimensional reduction of a gauge theory. The orbifolding of a 4+1 dimensional Sp(4)×U(1) group is the minimal setup which provides both CP violation and an SU(2)×U(1) structure. We show that grand unification requires at least SO(11).

  17. Nonthermal production of weakly interacting massive particles and the subgalactic structure of the universe.

    PubMed

    Lin, W B; Huang, D H; Zhang, X; Brandenberger, R

    2001-02-05

    There is increasing evidence that conventional cold dark matter (CDM) models lead to conflicts between observations and numerical simulations of dark matter halos on subgalactic scales, which rules out the favored candidates for CDM, namely weakly interacting massive particles (WIMPs). We propose a mechanism of nonthermal production of WIMPs and study its implications on the power spectrum. Our results show that, in this context, WIMPs as candidates for dark matter can work well both on large scales and on subgalactic scales.

  18. Accurately tuning the charge on giant polyoxometalate type Keplerates through stoichiometric interaction with cationic surfactants.

    PubMed

    Kistler, Melissa L; Patel, Komal G; Liu, Tianbo

    2009-07-07

    We report an approach of exploring the interaction between cationic surfactants and a type of structurally well-defined, spherical "Keplerate" polyoxometalate (POM) macroanionic molecular clusters, {Mo72V30}, in aqueous solution. The effectiveness of the interaction can be determined by monitoring the size change of the "blackberry" supramolecular structures formed by the self-assembly of {Mo72V30} macroions, which is determined by the effective charge density on the macroions. Long-chain surfactants (CTAB and CTAT) can interact with {Mo72V30} macroions stoichiometrically and lower their charge density. Consequently, the blackberry size decreases continuously with increasing surfactant concentration in solution. On the other hand, for short-chain surfactants (e.g., OTAB), a larger fraction of surfactants exist as discrete chains in solution and do not strongly interact with the macroions. This approach shows that a controllable amount of suitable surfactants can accurately tune the charge on large molecular clusters.

  19. Correction for solute/solvent interaction extends accurate freezing point depression theory to high concentration range.

    PubMed

    Fullerton, G D; Keener, C R; Cameron, I L

    1994-12-01

    The authors describe empirical corrections to ideally dilute expressions for freezing point depression of aqueous solutions to arrive at new expressions accurate up to three molal concentration. The method assumes non-ideality is due primarily to solute/solvent interactions such that the correct free water mass Mwc is the mass of water in solution Mw minus I.M(s) where M(s) is the mass of solute and I an empirical solute/solvent interaction coefficient. The interaction coefficient is easily derived from the constant in the linear regression fit to the experimental plot of Mw/M(s) as a function of 1/delta T (inverse freezing point depression). The I-value, when substituted into the new thermodynamic expressions derived from the assumption of equivalent activity of water in solution and ice, provides accurate predictions of freezing point depression (+/- 0.05 degrees C) up to 2.5 molal concentration for all the test molecules evaluated; glucose, sucrose, glycerol and ethylene glycol. The concentration limit is the approximate monolayer water coverage limit for the solutes which suggests that direct solute/solute interactions are negligible below this limit. This is contrary to the view of many authors due to the common practice of including hydration forces (a soft potential added to the hard core atomic potential) in the interaction potential between solute particles. When this is recognized the two viewpoints are in fundamental agreement.

  20. Lattice-Boltzmann simulation of laser interaction with weakly ionized helium plasmas

    SciTech Connect

    Li Huayu; Ki, Hyungson

    2010-07-15

    This paper presents a lattice Boltzmann method for laser interaction with weakly ionized plasmas considering electron impact ionization and three-body recombination. To simulate with physical properties of plasmas, the authors' previous work on the rescaling of variables is employed and the electromagnetic fields are calculated from the Maxwell equations by using the finite-difference time-domain method. To calculate temperature fields, energy equations are derived separately from the Boltzmann equations. In this way, we attempt to solve the full governing equations for plasma dynamics. With the developed model, the continuous-wave CO{sub 2} laser interaction with helium is simulated successfully.

  1. Lattice-Boltzmann simulation of laser interaction with weakly ionized helium plasmas.

    PubMed

    Li, Huayu; Ki, Hyungson

    2010-07-01

    This paper presents a lattice Boltzmann method for laser interaction with weakly ionized plasmas considering electron impact ionization and three-body recombination. To simulate with physical properties of plasmas, the authors' previous work on the rescaling of variables is employed and the electromagnetic fields are calculated from the Maxwell equations by using the finite-difference time-domain method. To calculate temperature fields, energy equations are derived separately from the Boltzmann equations. In this way, we attempt to solve the full governing equations for plasma dynamics. With the developed model, the continuous-wave CO2 laser interaction with helium is simulated successfully.

  2. Weak Interaction Models with New Quarks and Right-handed Currents

    DOE R&D Accomplishments Database

    Wilczek, F. A.; Zee, A.; Kingsley, R. L.; Treiman, S. B.

    1975-06-01

    We discuss various weak interaction issues for a general class of models within the SU(2) x U(1) gauge theory framework, with special emphasis on the effects of right-handed, charged currents and of quarks bearing new quantum numbers. In particular we consider the restrictions on model building which are imposed by the small KL - KS mass difference and by the .I = = rule; and we classify various possibilities for neutral current interactions and, in the case of heavy mesons with new quantum numbers, various possibilities for mixing effects analogous to KL - KS mixing.

  3. Weak localization and electron-electron interactions in few layer black phosphorus devices

    NASA Astrophysics Data System (ADS)

    Shi, Yanmeng; Gillgren, Nathaniel; Espiritu, Timothy; Tran, Son; Yang, Jiawei; Watanabe, Kenji; Taniguchi, Takahashi; Lau, Chun Ning

    2016-09-01

    Few layer phosphorene (FLP) devices are extensively studied due to their unique electronic properties and potential applications on nano-electronics. Here we present magnetotransport studies which reveal electron-electron interactions as the dominant scattering mechanism in hexagonal boron nitride-encapsulated FLP devices. From weak localization measurements, we estimate the electron dephasing length to be 30 to 100 nm at low temperatures, which exhibits a strong dependence on carrier density n and a power-law dependence on temperature (˜T -0.4). These results establish that the dominant scattering mechanism in FLP is electron-electron interactions.

  4. Delocalization of Weakly Interacting Bosons in a 1D Quasiperiodic Potential

    NASA Astrophysics Data System (ADS)

    Michal, V. P.; Altshuler, B. L.; Shlyapnikov, G. V.

    2014-07-01

    We consider weakly interacting bosons in a 1D quasiperiodic potential (Aubry-Azbel-Harper model) in the regime where all single-particle states are localized. We show that the interparticle interaction may lead to the many-body delocalization and we obtain the finite-temperature phase diagram. Counterintuitively, in a wide range of parameters the delocalization requires stronger coupling as the temperature increases. This means that the system of bosons can undergo a transition from a fluid to insulator (glass) state under heating.

  5. Thalamo-cortical interactions modeled by weakly connected oscillators: could the brain use FM radio principles?

    PubMed

    Hoppensteadt, F C; Izhikevich, E M

    1998-01-01

    We consider all models of the thalamo-cortical system that satisfy the following two assumptions: (1) each cortical column is an autonomous oscillator; (2) connections between cortical columns and the thalamus are weak. Our goal is to deduce from these assumptions general principles of thalamo-cortical interactions that are independent of the equations describing the system. We find that the existence of synaptic connections between any two cortical columns does not guarantee that the columns interact: They interact only when there is a certain nearly resonant relation between their frequencies, which implies that the interactions are frequency modulated (FM). When the resonance relation holds, the cortical columns interact through phase modulations. Thus, communications between weakly connected cortical oscillators employ a principle similar to that in FM radio: The frequency of oscillation encodes the channel of communication, while the information is transmitted via phase modulations. If the thalamic input has an appropriate frequency, then it can dynamically link any two cortical columns, even those that have non-resonant frequencies and would otherwise be unlinked. Thus, by adjusting its temporal activity, the thalamus has control over information processing taking place in the cortex. Our results suggest that the mean firing rate (frequency) of periodically spiking neuron does not carry any information other than identifying a channel of communication. Information (i.e. neural code) is carried through modulations of interspike intervals.

  6. An ultrasensitive tool exploiting hydration dynamics to decipher weak lipid membrane-polymer interactions.

    PubMed

    Cheng, Chi-Yuan; Wang, Jia-Yu; Kausik, Ravinath; Lee, Ka Yee C; Han, Songi

    2012-02-01

    We introduce a newly developed tool, (1)H Overhauser Dynamic Nuclear Polarization (ODNP), to sensitively explore weak macromolecular interactions by site-specifically probing the modulation of the translational dynamics of hydration water at the interaction interface, in the full presence of bulk water. Here, ODNP is employed on an illustrative example of a membrane-active triblock copolymer, poloxamer 188 (P188), which is known to restore the integrity of structurally compromised cell membranes. We observe a distinct change in the translational dynamics of the hydration layer interacting with the lipid membrane surface and the bilayer-interior as P188 is added to a solution of lipid vesicles, but no measurable changes in the dynamics or structure of the lipid membranes. This study shows that hydration water is an integral constituent of a lipid membrane system, and demonstrates for the first time that the modulation of its translational diffusivity can sensitively report on weak polymer-membrane interactions, as well as mediate essential lipid membrane functions. ODNP holds much promise as a unique tool to unravel molecular interactions at interfaces even in the presence of bulk water under ambient conditions.

  7. Born energy, acid-base equilibrium, structure and interactions of end-grafted weak polyelectrolyte layers

    SciTech Connect

    Nap, R. J.; Tagliazucchi, M.; Szleifer, I.

    2014-01-14

    This work addresses the effect of the Born self-energy contribution in the modeling of the structural and thermodynamical properties of weak polyelectrolytes confined to planar and curved surfaces. The theoretical framework is based on a theory that explicitly includes the conformations, size, shape, and charge distribution of all molecular species and considers the acid-base equilibrium of the weak polyelectrolyte. Namely, the degree of charge in the polymers is not imposed but it is a local varying property that results from the minimization of the total free energy. Inclusion of the dielectric properties of the polyelectrolyte is important as the environment of a polymer layer is very different from that in the adjacent aqueous solution. The main effect of the Born energy contribution on the molecular organization of an end-grafted weak polyacid layer is uncharging the weak acid (or basic) groups and consequently decreasing the concentration of mobile ions within the layer. The magnitude of the effect increases with polymer density and, in the case of the average degree of charge, it is qualitatively equivalent to a small shift in the equilibrium constant for the acid-base equilibrium of the weak polyelectrolyte monomers. The degree of charge is established by the competition between electrostatic interactions, the polymer conformational entropy, the excluded volume interactions, the translational entropy of the counterions and the acid-base chemical equilibrium. Consideration of the Born energy introduces an additional energetic penalty to the presence of charged groups in the polyelectrolyte layer, whose effect is mitigated by down-regulating the amount of charge, i.e., by shifting the local-acid base equilibrium towards its uncharged state. Shifting of the local acid-base equilibrium and its effect on the properties of the polyelectrolyte layer, without considering the Born energy, have been theoretically predicted previously. Account of the Born energy leads

  8. Born energy, acid-base equilibrium, structure and interactions of end-grafted weak polyelectrolyte layers.

    PubMed

    Nap, R J; Tagliazucchi, M; Szleifer, I

    2014-01-14

    This work addresses the effect of the Born self-energy contribution in the modeling of the structural and thermodynamical properties of weak polyelectrolytes confined to planar and curved surfaces. The theoretical framework is based on a theory that explicitly includes the conformations, size, shape, and charge distribution of all molecular species and considers the acid-base equilibrium of the weak polyelectrolyte. Namely, the degree of charge in the polymers is not imposed but it is a local varying property that results from the minimization of the total free energy. Inclusion of the dielectric properties of the polyelectrolyte is important as the environment of a polymer layer is very different from that in the adjacent aqueous solution. The main effect of the Born energy contribution on the molecular organization of an end-grafted weak polyacid layer is uncharging the weak acid (or basic) groups and consequently decreasing the concentration of mobile ions within the layer. The magnitude of the effect increases with polymer density and, in the case of the average degree of charge, it is qualitatively equivalent to a small shift in the equilibrium constant for the acid-base equilibrium of the weak polyelectrolyte monomers. The degree of charge is established by the competition between electrostatic interactions, the polymer conformational entropy, the excluded volume interactions, the translational entropy of the counterions and the acid-base chemical equilibrium. Consideration of the Born energy introduces an additional energetic penalty to the presence of charged groups in the polyelectrolyte layer, whose effect is mitigated by down-regulating the amount of charge, i.e., by shifting the local-acid base equilibrium towards its uncharged state. Shifting of the local acid-base equilibrium and its effect on the properties of the polyelectrolyte layer, without considering the Born energy, have been theoretically predicted previously. Account of the Born energy leads

  9. Highly Accurate Structure-Based Prediction of HIV-1 Coreceptor Usage Suggests Intermolecular Interactions Driving Tropism.

    PubMed

    Kieslich, Chris A; Tamamis, Phanourios; Guzman, Yannis A; Onel, Melis; Floudas, Christodoulos A

    2016-01-01

    HIV-1 entry into host cells is mediated by interactions between the V3-loop of viral glycoprotein gp120 and chemokine receptor CCR5 or CXCR4, collectively known as HIV-1 coreceptors. Accurate genotypic prediction of coreceptor usage is of significant clinical interest and determination of the factors driving tropism has been the focus of extensive study. We have developed a method based on nonlinear support vector machines to elucidate the interacting residue pairs driving coreceptor usage and provide highly accurate coreceptor usage predictions. Our models utilize centroid-centroid interaction energies from computationally derived structures of the V3-loop:coreceptor complexes as primary features, while additional features based on established rules regarding V3-loop sequences are also investigated. We tested our method on 2455 V3-loop sequences of various lengths and subtypes, and produce a median area under the receiver operator curve of 0.977 based on 500 runs of 10-fold cross validation. Our study is the first to elucidate a small set of specific interacting residue pairs between the V3-loop and coreceptors capable of predicting coreceptor usage with high accuracy across major HIV-1 subtypes. The developed method has been implemented as a web tool named CRUSH, CoReceptor USage prediction for HIV-1, which is available at http://ares.tamu.edu/CRUSH/.

  10. Benchmark data base for accurate van der Waals interaction in inorganic fragments

    NASA Astrophysics Data System (ADS)

    Brndiar, Jan; Stich, Ivan

    2012-02-01

    A range of inorganic materials, such as Sb, As, P, S, Se are built from van der Waals (vdW) interacting units forming the crystals, which neither the standard DFT GGA description as well as cheap quantum chemistry methods, such as MP2, do not describe correctly. We use this data base, for which have performed ultra accurate CCSD(T) calculations in complete basis set limit, to test the alternative approximate theories, such as Grimme [1], Langreth-Lundqvist [2], and Tkachenko-Scheffler [3]. While none of these theories gives entirely correct description, Grimme consistently provides more accurate results than Langreth-Lundqvist, which tend to overestimate the distances and underestimate the interaction energies for this set of systems. Contrary Tkachenko-Scheffler appear to yield surprisingly accurate and computationally cheap and convenient description applicable also for systems with appreciable charge transfer. [4pt] [1] S. Grimme, J. Comp. Chem. 27, 1787 (2006) [0pt] [2] K. Lee, et al., Phys. Rev. B 82 081101 (R) (2010) [0pt] [3] Tkachenko and M. Scheffler Phys. Rev. Lett. 102 073005 (2009).

  11. Strong orbital interaction in a weak CH-π hydrogen bonding system

    NASA Astrophysics Data System (ADS)

    Li, Jianfu; Zhang, Rui-Qin

    2016-03-01

    For the first time, the intermolecular orbital interaction between benzene and methane in the benzene-methane complex, a representative of weak interaction system, has been studied by us using ab initio calculations based on different methods and basis sets. Our results demonstrate obvious intermolecular orbital interaction between benzene and methane involving orbital overlaps including both occupied and unoccupied orbitals. Similar to interatomic orbital interaction, the intermolecular interaction of orbitals forms “bonding” and “antibonding” orbitals. In the interaction between occupied orbitals, the total energy of the complex increases because of the occupation of the antibonding orbital. The existence of the CH-π hydrogen bond between benzene and methane causes a decrease in rest energy level, leading to at least -1.51 kcal/mol intermolecular interaction energy. Our finding extends the concept of orbital interaction from the intramolecular to the intermolecular regime and gives a reliable explanation of the deep orbital reformation in the benzene-methane complex.

  12. Direct numerical simulation of isotropic turbulence interacting with a weak shock wave

    NASA Technical Reports Server (NTRS)

    Lee, Sangsan; Lele, Sanjiva K.; Moin, Parviz

    1993-01-01

    Direct numerical simulations are used to investigate the interaction of isotropic quasi-incompressible turbulence with a weak shock wave. A linear analysis of the interaction is conducted for comparison with the simulations. Both the simulations and the analysis show that turbulence is enhanced during the interaction. Turbulent kinetic energy and transverse vorticity components are amplified, and turbulent lengthscales are decreased. It is suggested that the amplification mechanism is primarily linear. Simulations also showed a rapid evolution of turbulent kinetic energy just downstream of the shock, a behavior not reproduced by the linear analysis. Analysis of the budget of the turbulent kinetic energy transport equation shows that this behavior can be attributed to the pressure transport term. Multiple compression peaks were found along the mean streamlines at locations where the local shock thickness had increased significantly.

  13. Global Weak Solutions for Kolmogorov-Vicsek Type Equations with Orientational Interactions

    NASA Astrophysics Data System (ADS)

    Gamba, Irene M.; Kang, Moon-Jin

    2016-10-01

    We study the global existence and uniqueness of weak solutions to kinetic Kolmogorov-Vicsek models that can be considered as non-local, non-linear, Fokker-Planck type equations describing the dynamics of individuals with orientational interactions. This model is derived from the discrete Couzin-Vicsek algorithm as mean-field limit (Bolley et al., Appl Math Lett, 25:339-343, 2012; Degond et al., Math Models Methods Appl Sci 18:1193-1215, 2008), which governs the interactions of stochastic agents moving with a velocity of constant magnitude, that is, the corresponding velocity space for these types of Kolmogorov-Vicsek models is the unit sphere. Our analysis for L p estimates and compactness properties take advantage of the orientational interaction property, meaning that the velocity space is a compact manifold.

  14. Prediction of protein-protein interaction sites from weakly homologous template structures using meta-threading and machine learning.

    PubMed

    Maheshwari, Surabhi; Brylinski, Michal

    2015-01-01

    The identification of protein-protein interactions is vital for understanding protein function, elucidating interaction mechanisms, and for practical applications in drug discovery. With the exponentially growing protein sequence data, fully automated computational methods that predict interactions between proteins are becoming essential components of system-level function inference. A thorough analysis of protein complex structures demonstrated that binding site locations as well as the interfacial geometry are highly conserved across evolutionarily related proteins. Because the conformational space of protein-protein interactions is highly covered by experimental structures, sensitive protein threading techniques can be used to identify suitable templates for the accurate prediction of interfacial residues. Toward this goal, we developed eFindSite(PPI) , an algorithm that uses the three-dimensional structure of a target protein, evolutionarily remotely related templates and machine learning techniques to predict binding residues. Using crystal structures, the average sensitivity (specificity) of eFindSite(PPI) in interfacial residue prediction is 0.46 (0.92). For weakly homologous protein models, these values only slightly decrease to 0.40-0.43 (0.91-0.92) demonstrating that eFindSite(PPI) performs well not only using experimental data but also tolerates structural imperfections in computer-generated structures. In addition, eFindSite(PPI) detects specific molecular interactions at the interface; for instance, it correctly predicts approximately one half of hydrogen bonds and aromatic interactions, as well as one third of salt bridges and hydrophobic contacts. Comparative benchmarks against several dimer datasets show that eFindSite(PPI) outperforms other methods for protein-binding residue prediction. It also features a carefully tuned confidence estimation system, which is particularly useful in large-scale applications using raw genomic data. eFindSite(PPI) is

  15. Subsystem-DFT potential-energy curves for weakly interacting systems.

    PubMed

    Schlüns, Danny; Klahr, Kevin; Mück-Lichtenfeld, Christian; Visscher, Lucas; Neugebauer, Johannes

    2015-06-14

    Kohn-Sham density-functional theory (DFT) within the local-density approximation (LDA) or the generalized-gradient approximation (GGA) is known to fail for the correct description of London dispersion interactions. Often, not even bound potential-energy surfaces are obtained for van der Waals complexes, unless special correction schemes are employed. In contrast to that, there has been some evidence for the fact that subsystem-based density functional theory produces interaction energies for weakly bound systems which are superior to Kohn-Sham DFT results without dispersion corrections. This is usually attributed to an error cancellation between the approximate exchange-correlation and non-additive kinetic-energy functionals employed in subsystem DFT. Here, we investigate the accuracy of subsystem DFT for weakly interacting systems in detail, paying special attention to the shape of the potential-energy surfaces (PESs). Our test sets include the extensive S22x5 and S66x8 data sets. Our results indicate that subsystem DFT PESs strongly vary depending on the functional. LDA results are usually quite good, but behave differently from their KS counterparts. GGA results from the popular Perdew-Wang (PW91) set of functionals produce PESs that are often, but not in general overbinding. Results from Becke-Perdew (BP86) GGAs, by contrast, show the typical problems known from the corresponding KS results. We provide some preliminary results for empirical corrections for both PW91 and BP86 in subsystem DFT.

  16. Revealing equilibrium and rate constants of weak and fast noncovalent interactions.

    PubMed

    Mironov, Gleb G; Okhonin, Victor; Gorelsky, Serge I; Berezovski, Maxim V

    2011-03-15

    Rate and equilibrium constants of weak noncovalent molecular interactions are extremely difficult to measure. Here, we introduced a homogeneous approach called equilibrium capillary electrophoresis of equilibrium mixtures (ECEEM) to determine k(on), k(off), and K(d) of weak (K(d) > 1 μM) and fast kinetics (relaxation time, τ < 0.1 s) in quasi-equilibrium for multiple unlabeled ligands simultaneously in one microreactor. Conceptually, an equilibrium mixture (EM) of a ligand (L), target (T), and a complex (C) is prepared. The mixture is introduced into the beginning of a capillary reactor with aspect ratio >1000 filled with T. Afterward, differential mobility of L, T, and C along the reactor is induced by an electric field. The combination of differential mobility of reactants and their interactions leads to a change of the EM peak shape. This change is a function of rate constants, so the rate and equilibrium constants can be directly determined from the analysis of the EM peak shape (width and symmetry) and propagation pattern along the reactor. We proved experimentally the use of ECEEM for multiplex determination of kinetic parameters describing weak (3 mM > K(d) > 80 μM) and fast (0.25 s ≥ τ ≥ 0.9 ms) noncovalent interactions between four small molecule drugs (ibuprofen, S-flurbiprofen, salicylic acid and phenylbutazone) and α- and β-cyclodextrins. The affinity of the drugs was significantly higher for β-cyclodextrin than α-cyclodextrin and mostly determined by the rate constant of complex formation.

  17. Continuous Choreographies as Limiting Solutions of N-body Type Problems with Weak Interaction

    NASA Astrophysics Data System (ADS)

    Castaneira, Reynaldo; Padilla, Pablo; Sánchez-Morgado, Héctor

    2016-10-01

    We consider the limit Nto +∞ of N-body type problems with weak interaction, equal masses and -σ-homogeneous potential, 0<σ<1. We obtain the integro-differential equation that the motions must satisfy, with limit choreographic solutions corresponding to travelling waves of this equation. Such equation is the Euler-Lagrange equation of a corresponding limiting action functional. Our main result is that the circle is the absolute minimizer of the action functional among zero mean (travelling wave) loops of class H^1.

  18. Concluding remarks and outlook: Europhysics conference on flavor-mixing in weak interactions

    SciTech Connect

    Chau, L.L.

    1984-01-01

    Some comments are offered on the present knowledge of the mixing matrix of Kobayashi and Maskawa and of the dynamics of nonleptonic decay. Also, remarks are made concerning CP violation. Plans for research from 1984 to 1989 are listed briefly. The history of studies on weak interactions is briefly reviewed, and several unanswered questions are stated, such as where are the truth particles, how may they be discovered, what is the mass-generating mechanism for the gauge bosons, how many Z/sup 0/'s and W's are there, do neutrinos have mass, and how long do protons live. (LEW)

  19. Interaction of impurity ions with a weakly non-Maxwellian simple hydrogenic plasma

    NASA Astrophysics Data System (ADS)

    Terry, William K.

    1990-08-01

    The average acceleration of an ensemble of ``test particles'' in a plasma is called the ``dynamical friction''; the average rate at which their velocity vectors spread out in velocity space is expressed in a velocity-space diffusion-rate tensor. These quantities have been derived for impurity ions interacting with a weakly non-Maxwellian simple hydrogenic plasma. The derivation is sketched briefly in this Brief Communication; for details, the reader is referred to a supplementary report (see NTIS Document No. DE88017137).

  20. Search for Low-Mass Weakly Interacting Massive Particles with SuperCDMS

    SciTech Connect

    Agnese, R.; Anderson, Alan J.; Asai, M.; balakishiyeva, D.; Basu Thakur, R.; Bauer, D. A.; Beaty, John; Billard, J.; Borgland, A.; Bowles, M. A.; Brandt, D.; Brink, P. L.; Bunker, R.; Cabrera, B.; Caldwell, D. O.; Cerdeno, D. G.; Chagani, H.; Chen, Y.; Cherry, M.; Cooley, J.; Cornell, B.; Crewdson, C. H.; Cushman, Priscilla B.; Daal, M.; DeVaney, D.; DeStefano, PC F.; Do Couto E Silva, E.; Doughty, T.; Esteban, L.; Fallows, S.; Figueroa-Feliciano, E.; Godfrey, G. L.; Golwala, S. R.; Hall, Jeter C.; Hansen, S.; Harris, Harold R.; Hertel, S. A.; Hines, B. A.; Hofer, T.; Holmgren, D.; Hsu, L.; Huber, M. E.; Jastram, A.; Kamaev, O.; Kara, B.; Kelsey, M. H.; Kenany, S.; Kennedy, A.; Kiveni, M.; Koch, K.; Leder, A.; Loer, B.; Lopez Asamar, E.; Mahapatra, R.; Mandic, V.; Martinez, C.; McCarthy, K. A.; Mirabolfathi, M.; Moffatt, R. A.; Nelson, R. H.; Novak, L.; Page, K.; Partridge, R.; Pepin, M.; Phipps, A.; Platt, M.; Prasad, K.; Pyle, M.; Qiu, H.; Rau, W.; Redl, P.; Reisetter, A.; Resch, R. W.; Ricci, Y.; Ruschman, M.; Saab, T.; Sadoulet, B.; Sander, J.; Schmitt, R.; Schneck, K.; Schnee, Richard; Scorza, A.; Seitz, D.; Serfass, B.; Shank, B.; Speller, D.; Tomada, A.; Upadhyayula, S.; Villano, A. N.; Welliver, B.; Wright, D. H.; Yellin, S.; Yen, J. J.; Young, B. A.; Zhang, J.

    2014-06-01

    We report a first search for weakly interacting massive particles (WIMPs) using the background rejection capabilities of SuperCDMS. An exposure of 577 kg-days was analyzed for WIMPs with mass < 30 GeV/c2, with the signal region blinded. Eleven events were observed after unblinding. We set an upper limit on the spin-independent WIMP-nucleon cross section of 1:2 10-42cm2 at 8 GeV/c2. This result is in tension with WIMP interpretations of recent experiments and probes new parameter space for WIMP-nucleon scattering for WIMP masses < 6 GeV/c2.

  1. The goal of forming accurate impressions during social interactions: attenuating the impact of negative expectancies.

    PubMed

    Neuberg, S L

    1989-03-01

    Investigated the idea that impression formation goals may regulate the impact that perceiver expectancies have on social interactions. In simulated interviews, interviewers Ss were given a negative expectancy about one applicant S and no expectancy about another. Half the interviewers were encouraged to form accurate impressions; the others were not. As predicted, no-goal interviewers exhibited a postinteraction impression bias against the negative-expectancy applicants, whereas the accuracy-goal interviewers did not. Moreover, the ability of the accuracy goal to reduce this bias was apparently mediated by more extensive and less biased interviewer information-gathering, which in turn elicited an improvement in negative-expectancy applicants' performances. These findings stress the theoretical and practical importance of considering the motivational context within which expectancy-tinged social interactions occur.

  2. Accurate, precise, and efficient theoretical methods to calculate anion-π interaction energies in model structures.

    PubMed

    Mezei, Pál D; Csonka, Gábor I; Ruzsinszky, Adrienn; Sun, Jianwei

    2015-01-13

    A correct description of the anion-π interaction is essential for the design of selective anion receptors and channels and important for advances in the field of supramolecular chemistry. However, it is challenging to do accurate, precise, and efficient calculations of this interaction, which are lacking in the literature. In this article, by testing sets of 20 binary anion-π complexes of fluoride, chloride, bromide, nitrate, or carbonate ions with hexafluorobenzene, 1,3,5-trifluorobenzene, 2,4,6-trifluoro-1,3,5-triazine, or 1,3,5-triazine and 30 ternary π-anion-π' sandwich complexes composed from the same monomers, we suggest domain-based local-pair natural orbital coupled cluster energies extrapolated to the complete basis-set limit as reference values. We give a detailed explanation of the origin of anion-π interactions, using the permanent quadrupole moments, static dipole polarizabilities, and electrostatic potential maps. We use symmetry-adapted perturbation theory (SAPT) to calculate the components of the anion-π interaction energies. We examine the performance of the direct random phase approximation (dRPA), the second-order screened exchange (SOSEX), local-pair natural-orbital (LPNO) coupled electron pair approximation (CEPA), and several dispersion-corrected density functionals (including generalized gradient approximation (GGA), meta-GGA, and double hybrid density functional). The LPNO-CEPA/1 results show the best agreement with the reference results. The dRPA method is only slightly less accurate and precise than the LPNO-CEPA/1, but it is considerably more efficient (6-17 times faster) for the binary complexes studied in this paper. For 30 ternary π-anion-π' sandwich complexes, we give dRPA interaction energies as reference values. The double hybrid functionals are much more efficient but less accurate and precise than dRPA. The dispersion-corrected double hybrid PWPB95-D3(BJ) and B2PLYP-D3(BJ) functionals perform better than the GGA and meta

  3. Efficient Biexciton Interaction in Perovskite Quantum Dots Under Weak and Strong Confinement.

    PubMed

    Castañeda, Juan A; Nagamine, Gabriel; Yassitepe, Emre; Bonato, Luiz G; Voznyy, Oleksandr; Hoogland, Sjoerd; Nogueira, Ana F; Sargent, Edward H; Cruz, Carlos H Brito; Padilha, Lazaro A

    2016-09-27

    Cesium lead halide perovskite quantum dots (PQDs) have emerged as a promising new platform for lighting applications. However, to date, light emitting diodes (LED) based on these materials exhibit limited efficiencies. One hypothesized limiting factor is fast nonradiative multiexciton Auger recombination. Using ultrafast spectroscopic techniques, we investigate multicarrier interaction and recombination mechanisms in cesium lead halide PQDs. By mapping the dependence of the biexciton Auger lifetime and the biexciton binding energy on nanomaterial size and composition, we find unusually strong Coulomb interactions among multiexcitons in PQDs. This results in weakly emissive biexcitons and trions, and accounts for low light emission efficiencies. We observe that, for strong confinement, the biexciton lifetime depends linearly on the PQD volume. This dependence becomes sublinear in the weak confinement regime as the PQD size increases beyond the Bohr radius. We demonstrate that Auger recombination is faster in PQDs compared to CdSe nanoparticles having the same volume, suggesting a stronger Coulombic interaction in the PQDs. We confirm this by demonstrating an increased biexciton binding energy, which reaches a maximum of about 100 meV, fully three times larger than in CdSe quantum dots. The biexciton shift can lead to low-threshold optical gain in these materials. These findings also suggest that materials engineering to reduce Coulombic interaction in cesium lead halide PQDs could improve prospects for high efficiency optoelectronic devices. Core-shell structures, in particular type-II nanostructures, which are known to reduce the bandedge Coulomb interaction in CdSe/CdS, could beneficially be applied to PQDs with the goal of increasing their potential in lighting applications.

  4. Accurate phosphoregulation of kinetochore–microtubule affinity requires unconstrained molecular interactions

    PubMed Central

    Zaytsev, Anatoly V.; Sundin, Lynsie J.R.; DeLuca, Keith F.

    2014-01-01

    Accurate chromosome segregation relies on dynamic interactions between microtubules (MTs) and the NDC80 complex, a major kinetochore MT-binding component. Phosphorylation at multiple residues of its Hec1 subunit may tune kinetochore–MT binding affinity for diverse mitotic functions, but molecular details of such phosphoregulation remain elusive. Using quantitative analyses of mitotic progression in mammalian cells, we show that Hec1 phosphorylation provides graded control of kinetochore–MT affinity. In contrast, modeling the kinetochore interface with repetitive MT binding sites predicts a switchlike response. To reconcile these findings, we hypothesize that interactions between NDC80 complexes and MTs are not constrained, i.e., the NDC80 complexes can alternate their binding between adjacent kinetochore MTs. Experiments using cells with phosphomimetic Hec1 mutants corroborate predictions of such a model but not of the repetitive sites model. We propose that accurate regulation of kinetochore–MT affinity is driven by incremental phosphorylation of an NDC80 molecular “lawn,” in which the NDC80–MT bonds reorganize dynamically in response to the number and stability of MT attachments. PMID:24982430

  5. Weakly interacting spinor Bose-Einstein condensates with three-dimensional spin-orbit coupling

    NASA Astrophysics Data System (ADS)

    Shu-Wei, Song; Rui, Sun; Hong, Zhao; Xuan, Wang; Bao-Zhong, Han

    2016-04-01

    Starting from the Hamiltonian of the second quantization form, the weakly interacting Bose-Einstein condensate with spin-orbit coupling of Weyl type is investigated. It is found that the SU(2) nonsymmetric term, i.e., the spin-dependent interaction, can lift the degeneracy of the ground states with respect to the z component of the total angular momentum J z , casting the ground condensate state into a configuration of zero J z . This ground state density profile can also be affirmed by minimizing the full Gross-Pitaevskii energy functional. The spin texture of the zero J z state indicates that it is a knot structure, whose fundamental group is π 3(M) ≅ π 3(S 2) = Z. Project supported by the National Natural Science Foundation of China (Grant No. 11447178).

  6. A quantitative analysis of weak intermolecular interactions & quantum chemical calculations (DFT) of novel chalcone derivatives

    NASA Astrophysics Data System (ADS)

    Chavda, Bhavin R.; Gandhi, Sahaj A.; Dubey, Rahul P.; Patel, Urmila H.; Barot, Vijay M.

    2016-05-01

    The novel chalcone derivatives have widespread applications in material science and medicinal industries. The density functional theory (DFT) is used to optimized the molecular structure of the three chalcone derivatives (M-I, II, III). The observed discrepancies between the theoretical and experimental (X-ray data) results attributed to different environments of the molecules, the experimental values are of the molecule in solid state there by subjected to the intermolecular forces, like non-bonded hydrogen bond interactions, where as isolated state in gas phase for theoretical studies. The lattice energy of all the molecules have been calculated using PIXELC module in Coulomb -London -Pauli (CLP) package and is partitioned into corresponding coulombic, polarization, dispersion and repulsion contributions. Lattice energy data confirm and strengthen the finding of the X-ray results that the weak but significant intermolecular interactions like C-H…O, Π- Π and C-H… Π plays an important role in the stabilization of crystal packing.

  7. Self-consistent Keldysh approach to quenches in the weakly interacting Bose-Hubbard model

    NASA Astrophysics Data System (ADS)

    Lo Gullo, N.; Dell'Anna, L.

    2016-11-01

    We present a nonequilibrium Green's-functional approach to study the dynamics following a quench in weakly interacting Bose-Hubbard model (BHM). The technique is based on the self-consistent solution of a set of equations which represents a particular case of the most general set of Hedin's equations for the interacting single-particle Green's function. We use the ladder approximation as a skeleton diagram for the two-particle scattering amplitude useful, through the self-energy in the Dyson equation, for finding the interacting single-particle Green's function. This scheme is then implemented numerically by a parallelized code. We exploit this approach to study the correlation propagation after a quench in the interaction parameter, for one and two dimensions. In particular, we show how our approach is able to recover the crossover from the ballistic to the diffusive regime by increasing the boson-boson interaction. Finally we also discuss the role of a thermal initial state on the dynamics both for one- and two-dimensional BHMs, finding that, surprisingly, at high temperature a ballistic evolution is restored.

  8. 'Trophic whales' as biotic buffers: weak interactions stabilize ecosystems against nutrient enrichment.

    PubMed

    Schwarzmüller, Florian; Eisenhauer, Nico; Brose, Ulrich

    2015-05-01

    Human activities may compromise biodiversity if external stressors such as nutrient enrichment endanger overall network stability by inducing unstable dynamics. However, some ecosystems maintain relatively high diversity levels despite experiencing continuing disturbances. This indicates that some intrinsic properties prevent unstable dynamics and resulting extinctions. Identifying these 'ecosystem buffers' is crucial for our understanding of the stability of ecosystems and an important tool for environmental and conservation biologists. In this vein, weak interactions have been suggested as stabilizing elements of complex systems, but their relevance has rarely been tested experimentally. Here, using network and allometric theory, we present a novel concept for a priori identification of species that buffer against externally induced instability of increased population oscillations via weak interactions. We tested our model in a microcosm experiment using a soil food-web motif. Our results show that large-bodied species feeding at the food web's base, so called 'trophic whales', can buffer ecosystems against unstable dynamics induced by nutrient enrichment. Similar to the functionality of chemical or mechanical buffers, they serve as 'biotic buffers' that take up stressor effects and thus protect fragile systems from instability. We discuss trophic whales as common functional building blocks across ecosystems. Considering increasing stressor effects under anthropogenic global change, conservation of these network-intrinsic biotic buffers may help maintain the stability and diversity of natural ecosystems.

  9. TAMU-TRAP: an ion trap facility for Weak Interaction and Nuclear Physics Studies

    NASA Astrophysics Data System (ADS)

    Shidling, Praveen

    2014-09-01

    In the low-energy regime, precision measurements of nuclear β-decay continue to be an efficient tool to search for new physics beyond the standard electroweak model and is the most abundant weak interaction phenomenon. The β-decay experiments carried out until now can be explained by a time reversal-invariant pure V-A interaction with maximal violation of parity. Nevertheless, experimental error bars still leave sufficient room for the possible existence of other types of weak interaction in beta decay. The primary goal of the TAMU-TRAP facility is to test the standard model for a possible admixture of a scalar type of interaction by measuring the β- ν correlation parameter, aβν, in T =2 super-allowed β-delayed proton emitters. The aβν correlation parameter can be inferred by measuring the proton energy spectrum. Low energy radioactive ion beam (RIB) will be delivered to the facility through the Heavy Ion guide, which is part of the T-REX(TAMU-Reaccelerated EXotics) upgrade project. The main components of the facility are an RFQ (cooler/buncher) and a Penning trap system. The measurement trap will be a large-bore cylindrical Penning trap with 90 mm radius, larger than any existing Penning trap. This geometry will allow for full radial containment of decay products of interest. The trap geometry is also suitable for a wide range of nuclear physics experiments. Additional goals for this system are mass and lifetime measurements. Presently, the TAMUTRAP setup is under construction and is being coupled to the T-REX upgrade project. Several parts of the beamline have been tested using an offline ion source. A brief overview of the TAMU-TRAP set-up, its current status, and the status of the T-REX upgrade project will be presented.

  10. Ground State Energy of the Two-Dimensional Weakly Interacting Bose Gas: First Correction Beyond Bogoliubov Theory

    SciTech Connect

    Mora, Christophe; Castin, Yvan

    2009-05-08

    We consider the grand potential {omega} of a two-dimensional weakly interacting homogeneous Bose gas at zero temperature. Building on a number-conserving Bogoliubov method for a lattice model in the grand canonical ensemble, we calculate the next order term as compared to the Bogoliubov prediction, in a systematic expansion of {omega} in powers of the parameter measuring the weakness of the interaction. Our prediction is in very good agreement with recent Monte Carlo calculations.

  11. Development of a direct experimental test for any violation of the equivalence principle by the weak interaction

    NASA Technical Reports Server (NTRS)

    Parker, P. D. M.

    1981-01-01

    Violation of the equivalence principle by the weak interaction is tested. Any variation of the weak interaction coupling constant with gravitational potential, i.e., a spatial variation of the fundamental constants is investigated. The level of sensitivity required for such a measurement is estimated on the basis of the size of a change in the gravitational potential which is accessible. The alpha particle spectrum is analyzed, and the counting rate was improved by a factor of approximately 100.

  12. The accurate measurement of second virial coefficients using self-interaction chromatography: experimental considerations.

    PubMed

    Quigley, A; Heng, J Y Y; Liddell, J M; Williams, D R

    2013-11-01

    Measurement of B22, the second virial coefficient, is an important technique for describing the solution behaviour of proteins, especially as it relates to precipitation, aggregation and crystallisation phenomena. This paper describes the best practise for calculating B22 values from self-interaction chromatograms (SIC) for aqueous protein solutions. Detailed analysis of SIC peak shapes for lysozyme shows that non-Gaussian peaks are commonly encountered for SIC, with typical peak asymmetries of 10%. This asymmetry reflects a non-linear chromatographic retention process, in this case heterogeneity of the protein-protein interactions. Therefore, it is important to use the centre of mass calculations for determining accurate retention volumes and thus B22 values. Empirical peak maximum chromatogram analysis, often reported in the literature, can result in errors of up to 50% in B22 values. A methodology is reported here for determining both the mean and the variance in B22 from SIC experiments, includes a correction for normal longitudinal peak broadening. The variance in B22 due to chemical effects is quantified statistically and is a measure of the heterogeneity of protein-protein interactions in solution. In the case of lysozyme, a wide range of B22 values are measured which can vary significantly from the average B22 values.

  13. Effects of the orbital self-interaction in both strongly and weakly correlated systems.

    PubMed

    Tablero, C

    2009-02-07

    The orbital occupation, which is the centerpiece of both self-interaction and several metal-insulator transition analyses, as well as of the local density or generalized gradient approximation with a Hubbard term, is not well defined, in the sense that it is partially ambiguous. A general treatment can be applied to both strongly and weakly correlated systems. When it is applied to an intermediate- and partially filled band within of the host semiconductor gap whose width is less than the semiconductor gap, the original single band can either split as in a Mott transition or not. The former situation is usual and almost always generalized. However the latter also takes place and results from a dilution effect of the self-interaction where a large orbital correlation is reduced if there are other orbital contributions with lower self-interaction in the band. The key is in the choice of the subspace of correlated orbitals. This effect can neither be ignored nor discarded for those systems where there is a substantial mix of states. Examples of these behaviors will be presented and compared to other results. Moreover, the combination of different Hubbard terms acting on different atomic state subspaces can also be used to correct the spurious self-interaction of the bands and the gap underestimation. The relationship between these terms applied to different subspaces of correlated electrons will be presented.

  14. Interaction of weakly bound antibiotics neomycin and lincomycin with bovine and human serum albumin: biophysical approach.

    PubMed

    Keswani, Neelam; Choudhary, Sinjan; Kishore, Nand

    2010-07-01

    The thermodynamics of interaction of neomycin and lincomycin with bovine serum albumin (BSA) and human serum albumin (HSA) has been studied using isothermal titration calorimetry (ITC), in combination with UV-visible, steady state and time resolved fluorescence spectroscopic measurements. Neomycin is observed to bind weakly to BSA and HSA whereas lincomycin did not show any evidence for binding with the native state of these proteins, rather it interacts in the presence of surfactants. The ITC results suggest 1 : 1 binding stoichiometry for neomycin in the studied temperature range. The values of the van't Hoff enthalpy do not agree with the calorimetric enthalpy in the case of neomycin, suggesting conformational changes in the protein upon ligand binding, as well as with the rise in the temperature. Experiments at different ionic strengths, and in the presence of tetrabutyl ammonium bromide and surfactants suggest the predominant involvement of electrostatic interactions in the complexation process of neomycin with BSA and HSA, and non-specific interaction behaviour of lincomycin with these proteins.

  15. Conserving Gapless Mean-Field Theory for Weakly Interacting Bose Gases

    NASA Astrophysics Data System (ADS)

    Kita, Takafumi

    2006-04-01

    This paper presents a conserving gapless mean-field theory for weakly interacting Bose gases. We first construct a mean-field Luttinger-Ward thermodynamic functional in terms of the condensate wave function \\Psi and the Nambu Green’s function \\hat{G} for the quasiparticle field. Imposing its stationarity respect to \\Psi and \\hat{G} yields a set of equations to determine the equilibrium for general non-uniform systems. They have a plausible property of satisfying the Hugenholtz-Pines theorem to provide a gapless excitation spectrum. Also, the corresponding dynamical equations of motion obey various conservation laws. Thus, the present mean-field theory shares two important properties with the exact theory: “conserving” and “gapless.” The theory is then applied to a homogeneous weakly interacting Bose gas with s-wave scattering length a and particle mass m to clarify its basic thermodynamic properties under two complementary conditions of constant density n and constant pressure p. The superfluid transition is predicted to be first-order because of the non-analytic nature of the order-parameter expansion near Tc inherent in Bose systems, i.e., the Landau-Ginzburg expansion is not possible here. The transition temperature Tc shows quite a different interaction dependence between the n-fixed and p-fixed cases. In the former case Tc increases from the ideal gas value T0 as Tc/T0= 1+ 2.33 an1/3, whereas it decreases in the latter as Tc/T0= 1- 3.84a(m p/2π\\hbar2)1/5. Temperature dependences of basic thermodynamic quantities are clarified explicitly.

  16. Using Interpolation for Fast and Accurate Calculation of Ion–Ion Interactions

    PubMed Central

    2015-01-01

    We perform extensive molecular dynamics (MD) simulations between pairs of ions of various diameters (2–5.5 Å in increments of 0.5 Å) and charge (+1 or −1) interacting in explicit water (TIP3P) under ambient conditions. We extract their potentials of mean force (PMFs). We develop an interpolation scheme, called i-PMF, that is capable of capturing the full set of PMFs for arbitrary combinations of ion sizes ranging from 2 to 5.5 Å. The advantage of the interpolation process is computational cost. Whereas it can take 100 h to simulate each PMF by MD, we can compute an equivalently accurate i-PMF in seconds. This process may be useful for rapid and accurate calculation of the strengths of salt bridges and the effects of bridging waters in biomolecular simulations. We also find that our data is consistent with Collins’ “law of matching affinities” of ion solubilities: small–small or large–large ion pairs are poorly soluble in water, whereas small–large are highly soluble. PMID:24625086

  17. Accurate and general treatment of electrostatic interaction in Hamiltonian adaptive resolution simulations

    NASA Astrophysics Data System (ADS)

    Heidari, M.; Cortes-Huerto, R.; Donadio, D.; Potestio, R.

    2016-10-01

    In adaptive resolution simulations the same system is concurrently modeled with different resolution in different subdomains of the simulation box, thereby enabling an accurate description in a small but relevant region, while the rest is treated with a computationally parsimonious model. In this framework, electrostatic interaction, whose accurate treatment is a crucial aspect in the realistic modeling of soft matter and biological systems, represents a particularly acute problem due to the intrinsic long-range nature of Coulomb potential. In the present work we propose and validate the usage of a short-range modification of Coulomb potential, the Damped shifted force (DSF) model, in the context of the Hamiltonian adaptive resolution simulation (H-AdResS) scheme. This approach, which is here validated on bulk water, ensures a reliable reproduction of the structural and dynamical properties of the liquid, and enables a seamless embedding in the H-AdResS framework. The resulting dual-resolution setup is implemented in the LAMMPS simulation package, and its customized version employed in the present work is made publicly available.

  18. New physics at the weak scale: axigluon models, scale invariance and naturalness, and interacting dark matter

    NASA Astrophysics Data System (ADS)

    Tavares, Gustavo Marques

    The Standard Model of particle physics describes all known elementary particles and their interactions. Despite its great experimental success, we know that the Standard Model is not a complete description of Nature and therefore new phenomena should be observed at higher energies. In the coming years the Large Hadron Collider will test the Standard Model by colliding protons with center of mass energies of up to 14 TeV providing some of the most stringent tests on the Standard Model. Experimental searches for Dark Matter provide a complementary program to test physics at the weak scale. In the near future new experimental data coming from direct detection experiments, and from satellites and telescopes will drastically improve our sensitivity to weak scale dark matter. This could lead to the first direct observation of dark matter, and thus of physics beyond the Standard Model. In this thesis I propose different extensions of the Standard Model and discuss their experimental consequences. I first discuss models for Axigluons, which are spin one particles in the adjoint representation of the SU(3) color gauge group. These models were motivated by the measurement of higher than predicted forward-backward asymmetry in top quark pair production at the Tevatron. I study different scenarios for Axigluon models that can explain the Tevatron result and explore their signatures at the Large Hadron Collider. Second I discuss the implications of ultraviolet scale invariance for the Standard Model, which has been advocated as a solution to the hierarchy problem. I show that in order to solve the hierarchy problem with scale invariance, new physics is required not far from the weak scale. In the last part of this thesis I propose a new model for dark matter, in which dark matter is charged under a hidden non-Abelian gauge group. This leads to modifications in the sensitivity of the usual experimental searches for dark matter in addition to distinct signatures in the Cosmic

  19. 3D Modeling of Ultrasonic Wave Interaction with Disbonds and Weak Bonds

    NASA Technical Reports Server (NTRS)

    Leckey, C.; Hinders, M.

    2011-01-01

    Ultrasonic techniques, such as the use of guided waves, can be ideal for finding damage in the plate and pipe-like structures used in aerospace applications. However, the interaction of waves with real flaw types and geometries can lead to experimental signals that are difficult to interpret. 3-dimensional (3D) elastic wave simulations can be a powerful tool in understanding the complicated wave scattering involved in flaw detection and for optimizing experimental techniques. We have developed and implemented parallel 3D elastodynamic finite integration technique (3D EFIT) code to investigate Lamb wave scattering from realistic flaws. This paper discusses simulation results for an aluminum-aluminum diffusion disbond and an aluminum-epoxy disbond and compares results from the disbond case to the common artificial flaw type of a flat-bottom hole. The paper also discusses the potential for extending the 3D EFIT equations to incorporate physics-based weak bond models for simulating wave scattering from weak adhesive bonds.

  20. Interaction of torsional and longitudinal guided waves in weakly nonlinear circular cylinders.

    PubMed

    Liu, Yang; Khajeh, Ehsan; Lissenden, Cliff J; Rose, Joseph L

    2013-05-01

    The nonlinear forcing terms for the wave equation in general curvilinear coordinates are derived based on an isotropic homogeneous weakly nonlinear elastic material. The expressions for the nonlinear part of the first Piola-Kirchhoff stress are specialized for axisymmetric torsional and longitudinal fundamental waves in a circular cylinder. The matrix characteristics of the nonlinear forcing terms and secondary mode wave structures are manipulated to analyze the higher harmonic generation due to the guided wave mode self-interactions and mutual interactions. It is proved that both torsional and longitudinal secondary wave fields can be cumulative by a specific type of guided wave mode interactions. A method for the selection of preferred fundamental excitations that generate strong cumulative higher harmonics is formulated, and described in detail for second harmonic generation. Nonlinear finite element simulations demonstrate second harmonic generation by T(0,3) and L(0,4) modes at the internal resonance points. A linear increase of the normalized modal amplitude ratio A2/A1(2) over the propagation distance is observed for both cases, which indicates that mode L(0,5) is effectively generated as a cumulative second harmonic. Counter numerical examples demonstrate that synchronism and sufficient power flux from the fundamental mode to the secondary mode must occur for the secondary wave field to be strongly cumulative.

  1. Bis(pentamethylcyclopentadienyl)ytterbium: An investigation of weak interactions in solution using multinuclear NMR spectroscopy

    SciTech Connect

    Schwartz, David Joel

    1995-07-01

    NMR spectroscopy is ideal for studying weak interactions (formation enthalpy ≤20 kcal/mol) in solution. The metallocene bis(pentamethylcyclopentadienyl)ytterbium, Cp*2Yb, is ideal for this purpose. cis-P2PtH2complexes (P = phosphine) were used to produce slow-exchange Cp*2YbL adducts for NMR study. Reversible formation of (P2PtH)2 complexes from cis-P2PtH2 complexes were also studied, followed by interactions of Cp*2Yb with phosphines, R3PX complexes. A NMR study was done on the interactions of Cp*2Yb with H2, CH4, Xe, CO, silanes, stannanes, C6H6, and toluene.

  2. Electron-electron interaction, weak localization and spin valve effect in vertical-transport graphene devices

    SciTech Connect

    Long, Mingsheng; Gong, Youpin; Wei, Xiangfei; Zhu, Chao; Xu, Jianbao; Liu, Ping; Guo, Yufen; Li, Weiwei; Liu, Liwei; Liu, Guangtong

    2014-04-14

    We fabricated a vertical structure device, in which graphene is sandwiched between two asymmetric ferromagnetic electrodes. The measurements of electron and spin transport were performed across the combined channels containing the vertical and horizontal components. The presence of electron-electron interaction (EEI) was found not only at low temperatures but also at moderate temperatures up to ∼120 K, and EEI dominates over weak localization (WL) with and without applying magnetic fields perpendicular to the sample plane. Moreover, spin valve effect was observed when magnetic filed is swept at the direction parallel to the sample surface. We attribute the EEI and WL surviving at a relatively high temperature to the effective suppress of phonon scattering in the vertical device structure. The findings open a way for studying quantum correlation at relatively high temperature.

  3. Identification of Weakly Interacting Massive Particles Through a Combined Measurement of Axial and Scalar Couplings

    NASA Astrophysics Data System (ADS)

    Bertone, G.; Cerdeño, D. G.; Collar, J. I.; Odom, B.

    2007-10-01

    We study the prospects for detecting weakly interacting massive particles (WIMPs) in a number of phenomenological scenarios, with a detector composed of a target simultaneously sensitive to both spin-dependent and spin-independent couplings, as is the case of COUPP (Chicagoland Observatory for Underground Particle Physics). First, we show that sensitivity to both couplings optimizes chances of initial WIMP detection. Second, we demonstrate that, in case of detection, a comparison of the signal on two complementary targets, such as in COUPP CF3I and C4F10 bubble chambers, allows a significantly more precise determination of the dark matter axial and scalar couplings. This strategy would provide crucial information on the nature of the WIMPs and possibly allow discrimination between neutralino and Kaluza-Klein dark matter.

  4. Measurement of the parity nonconserving neutral weak interaction in atomic thallium

    SciTech Connect

    Bucksbaum, P.H.

    1980-11-01

    This thesis describes an experiment to measure parity nonconservation in atomic thallium. A frequency doubled, flashlamp pumped tunable dye laser is used to excite the 6P/sub 1/2/(F = 0) ..-->.. 7P/sub 1/2/(F = 1) transition at 292.7 nm, with circularly polarized light. An electrostatic field E of 100 to 300 V/cm causes this transition to occur via Stark induced electric dipole. Two field free transitions may also occur: a highly forbidden magnetic dipole M, and a parity nonconserving electric dipole epsilon/sub P/. The latter is presumed to be due to the presence of a weak neutral current interaction between the 6p valence electron and the nucleus, as predicted by gauge theories which unite the electromagnetic and weak interactions. Both M and epsilon/sub P/ interfere with the Stark amplitude ..beta..E to produce a polarization of the 7P/sub 1/2/ state. This is measured with a circularly polarized infrared laser beam probe, tuned to the 7P/sub 1/2/ ..-->.. 8S/sub 1/2/ transition. This selectively excites m/sub F/ = +1 or -1 components of the 7P/sub 1/2/ state, and the polarization is seen as an asymmetry in 8S ..-->.. 6P/sub 3/2/ fluorescence when the probe helicity is reversed. The polarization due to M is ..delta../sub M/ = -2M/(BETAE). It is used to calibrate the analyzing efficiency. The polarization due to epsilon/sub P/ is ..delta../sub P/ = 2i epsilon/sub P//(..beta..E), and can be distinguished from ..delta../sub M/ by its properties under reversal of the 292.7 nm photon helicity and reversal of the laser direction. A preliminary measurement yielded a parity violation in agreement with the gauge theory of Weinberg and Salam.

  5. A General Pairwise Interaction Model Provides an Accurate Description of In Vivo Transcription Factor Binding Sites

    PubMed Central

    Santolini, Marc; Mora, Thierry; Hakim, Vincent

    2014-01-01

    The identification of transcription factor binding sites (TFBSs) on genomic DNA is of crucial importance for understanding and predicting regulatory elements in gene networks. TFBS motifs are commonly described by Position Weight Matrices (PWMs), in which each DNA base pair contributes independently to the transcription factor (TF) binding. However, this description ignores correlations between nucleotides at different positions, and is generally inaccurate: analysing fly and mouse in vivo ChIPseq data, we show that in most cases the PWM model fails to reproduce the observed statistics of TFBSs. To overcome this issue, we introduce the pairwise interaction model (PIM), a generalization of the PWM model. The model is based on the principle of maximum entropy and explicitly describes pairwise correlations between nucleotides at different positions, while being otherwise as unconstrained as possible. It is mathematically equivalent to considering a TF-DNA binding energy that depends additively on each nucleotide identity at all positions in the TFBS, like the PWM model, but also additively on pairs of nucleotides. We find that the PIM significantly improves over the PWM model, and even provides an optimal description of TFBS statistics within statistical noise. The PIM generalizes previous approaches to interdependent positions: it accounts for co-variation of two or more base pairs, and predicts secondary motifs, while outperforming multiple-motif models consisting of mixtures of PWMs. We analyse the structure of pairwise interactions between nucleotides, and find that they are sparse and dominantly located between consecutive base pairs in the flanking region of TFBS. Nonetheless, interactions between pairs of non-consecutive nucleotides are found to play a significant role in the obtained accurate description of TFBS statistics. The PIM is computationally tractable, and provides a general framework that should be useful for describing and predicting TFBSs beyond

  6. Gauge theories of weak interactions II (Circa 1981-1982 C.E.)

    NASA Astrophysics Data System (ADS)

    Bég, M. A. B.; Sirlin, A.

    1982-08-01

    This article is a sequel to “Gauge Theories of Weak Interactions (Circa 1973-1974)”, published in the Annual Review of Nuclear Science. Our purpose is to survey the state of the art eight years after; we have spared no effort, however, to make this article self-contained, comprehensible with only an occasional reference to the previous review. The tone of our presentation is set, and the scope of the discussion is delineated, by introductory remarks which emphasize some open questions in the field. We then proceed to examine the known structure of weak interactions in the light of the theory - now established, at least as a consistent description of electroweak effects in the low-energy domain - associated with the names of Glashow, Salam and and Weinberg and commonly referred to as Quantum Flavordynamics (QFD). Here, as well as later in the paper, we try to recapture the spirit of some of the original contributions by using judiciously-defined parameters which afford a model-independent perspective of the experimental data, particularly in situations where we suspect that theoretical fine structure may be hidden in the errors. The phenomenology provides a convenient starting point for discussing the underlying theory. We review briefly the methodology of spontaneously broken gauge theories, in the canonical framework with elementary spin-0 fields injected into the Lagrangian, and its application to the SU(3) C⊗SU(2) L⊗U(1) based standard model of quark-lepton interactions. Calculations of loop-level effects are described both in the context of the standard model and of SU(5)-based grand unification; specially emphasized is our contention that the renormalizability of the theory plays a crucial role in its ability to reproduce physical reality. At this point we deviate from the beaten path of orthodoxy to explore new directions in which weak-interaction theory might conceivably go. The principal motivation lies in our desire to avoid getting trapped in a no

  7. Conceptual foundations of the unified theory of weak and electromagnetic interaction

    NASA Astrophysics Data System (ADS)

    Weinberg, Steven

    Our job in physics is to see things simply, to understand a great many complicated phenomena in a unified way, in terms of a few simple principles. At times, our efforts are illuminated by a brilliant experiment, such as the 1973 discovery of neutral current neutrino reactions. But even in the dark times between experimental breakthroughs, there always continues a steady evolution of theoretical ideas, leading almost imperceptibly to changes in previous beliefs. In this talk, I want to discuss the development of two lines of thought in theoretical physics. One of them is the slow growth in our understanding of symmetry, and in particular, broken or hidden symmetry. The other is the old struggle to come to terms with the infinities in quantum field theories. To a remarkable degree, our present detailed theories of elementary particle interactions can be understood deductively, as consequences of symmetry principles and of a principle of renormalizability which is invoked to deal with the infinities. I will also briefly describe how the convergence of these lines of thought led to my own work on the unification of weak and electromagnetic interactions. For the most part, my talk will center on my own gradual education in these matters, because that is one subject on which I can speak with some confidence. With rather less confidence, I will also try to look ahead, and suggest what role these lines of thought may play in the physics of the future…

  8. Interaction of a weak shock wave with a discontinuous heavy-gas cylinder

    SciTech Connect

    Wang, Xiansheng; Yang, Dangguo; Wu, Junqiang; Luo, Xisheng

    2015-06-15

    The interaction between a cylindrical inhomogeneity and a weak planar shock wave is investigated experimentally and numerically, and special attention is given to the wave patterns and vortex dynamics in this scenario. A soap-film technique is realized to generate a well-controlled discontinuous cylinder (SF{sub 6} surrounded by air) with no supports or wires in the shock-tube experiment. The symmetric evolving interfaces and few disturbance waves are observed in a high-speed schlieren photography. Numerical simulations are also carried out for a detailed analysis. The refracted shock wave inside the cylinder is perturbed by the diffracted shock waves and divided into three branches. When these shock branches collide, the shock focusing occurs. A nonlinear model is then proposed to elucidate effects of the wave patterns on the evolution of the cylinder. A distinct vortex pair is gradually developing during the shock-cylinder interaction. The numerical results show that a low pressure region appears at the vortex core. Subsequently, the ambient fluid is entrained into the vortices which are expanding at the same time. Based on the relation between the vortex motion and the circulation, several theoretical models of circulation in the literature are then checked by the experimental and numerical results. Most of these theoretical circulation models provide a reasonably good prediction of the vortex motion in the present configuration.

  9. Interaction of a weak shock wave with a discontinuous heavy-gas cylinder

    NASA Astrophysics Data System (ADS)

    Wang, Xiansheng; Yang, Dangguo; Wu, Junqiang; Luo, Xisheng

    2015-06-01

    The interaction between a cylindrical inhomogeneity and a weak planar shock wave is investigated experimentally and numerically, and special attention is given to the wave patterns and vortex dynamics in this scenario. A soap-film technique is realized to generate a well-controlled discontinuous cylinder (SF6 surrounded by air) with no supports or wires in the shock-tube experiment. The symmetric evolving interfaces and few disturbance waves are observed in a high-speed schlieren photography. Numerical simulations are also carried out for a detailed analysis. The refracted shock wave inside the cylinder is perturbed by the diffracted shock waves and divided into three branches. When these shock branches collide, the shock focusing occurs. A nonlinear model is then proposed to elucidate effects of the wave patterns on the evolution of the cylinder. A distinct vortex pair is gradually developing during the shock-cylinder interaction. The numerical results show that a low pressure region appears at the vortex core. Subsequently, the ambient fluid is entrained into the vortices which are expanding at the same time. Based on the relation between the vortex motion and the circulation, several theoretical models of circulation in the literature are then checked by the experimental and numerical results. Most of these theoretical circulation models provide a reasonably good prediction of the vortex motion in the present configuration.

  10. Weak interactions between water and clathrate-forming gases at low pressures

    DOE PAGES

    Thürmer, Konrad; Yuan, Chunqing; Kimmel, Greg A.; ...

    2015-07-17

    Using scanning probe microscopy and temperature programed desorption we examined the interaction between water and two common clathrate-forming gases, methane and isobutane, at low temperature and low pressure. Water co-deposited with up to 10–1 mbar methane or 10–5 mbar isobutane at 140 K onto a Pt(111) substrate yielded pure crystalline ice, i.e., the exposure to up to ~ 107 gas molecules for each deposited water molecule did not have any detectable effect on the growing films. Exposing metastable, less than 2 molecular layers thick, water films to 10–5 mbar methane does not alter their morphology, suggesting that the presence ofmore » the Pt(111) surface is not a strong driver for hydrate formation. This weak water–gas interaction at low pressures is supported by our thermal desorption measurements from amorphous solid water and crystalline ice where 1 ML of methane desorbs near ~ 43 K and isobutane desorbs near ~ 100 K. As a result, similar desorption temperatures were observed for desorption from amorphous solid water.« less

  11. Weak interactions between water and clathrate-forming gases at low pressures

    SciTech Connect

    Thürmer, Konrad; Yuan, Chunqing; Kimmel, Greg A.; Kay, Bruce D.; Smith, R. Scott

    2015-07-17

    Using scanning probe microscopy and temperature programed desorption we examined the interaction between water and two common clathrate-forming gases, methane and isobutane, at low temperature and low pressure. Water co-deposited with up to 10–1 mbar methane or 10–5 mbar isobutane at 140 K onto a Pt(111) substrate yielded pure crystalline ice, i.e., the exposure to up to ~ 107 gas molecules for each deposited water molecule did not have any detectable effect on the growing films. Exposing metastable, less than 2 molecular layers thick, water films to 10–5 mbar methane does not alter their morphology, suggesting that the presence of the Pt(111) surface is not a strong driver for hydrate formation. This weak water–gas interaction at low pressures is supported by our thermal desorption measurements from amorphous solid water and crystalline ice where 1 ML of methane desorbs near ~ 43 K and isobutane desorbs near ~ 100 K. As a result, similar desorption temperatures were observed for desorption from amorphous solid water.

  12. Weak interactions between water and clathrate-forming gases at low pressures

    SciTech Connect

    Thurmer, Konrad; Yuan, Chunqing; Kimmel, Gregory A.; Kay, Bruce D.; Smith, R. Scott

    2015-11-01

    Using scanning probe microscopy and temperature programed desorption we examined the interaction between water and two common clathrate-forming gases, methane and isobutane, at low temperature and low pressure. Water co-deposited with up to 10-1 mbar methane or 10-5 mbar isobutane at 140 K onto a Pt(111) substrate yielded pure crystalline ice, i.e., the exposure to up to ~107 gas molecules for each deposited water molecule did not have any detectable effect on the growing films. Exposing metastable, less than 2 molecular layers thick, water films to 10-5 mbar methane does not alter their morphology, suggesting that the presence of the Pt(111) surface is not a strong driver for hydrate formation. This weak water-gas interaction at low pressures is supported by our thermal desorption measurements from amorphous solid water and crystalline ice where 1 ML of methane desorbs near ~43 K and isobutane desorbs near ~100 K. Similar desorption temperatures were observed for desorption from amorphous solid water.

  13. Closed-shell ring coupled cluster doubles theory with range separation applied on weak intermolecular interactions.

    PubMed

    Toulouse, Julien; Zhu, Wuming; Savin, Andreas; Jansen, Georg; Ángyán, János G

    2011-08-28

    We explore different variants of the random phase approximation to the correlation energy derived from closed-shell ring-diagram approximations to coupled cluster doubles theory. We implement these variants in range-separated density-functional theory, i.e., by combining the long-range random phase approximations with short-range density-functional approximations. We perform tests on the rare-gas dimers He(2), Ne(2), and Ar(2), and on the weakly interacting molecular complexes of the S22 set of Jurečka et al. [P. Jurečka, J. Šponer, J. Černý, and P. Hobza, Phys. Chem. Chem. Phys. 8, 1985 (2006)]. The two best variants correspond to the ones originally proposed by Szabo and Ostlund [A. Szabo and N. S. Ostlund, J. Chem. Phys. 67, 4351 (1977)]. With range separation, they reach mean absolute errors on the equilibrium interaction energies of the S22 set of about 0.4 kcal/mol, corresponding to mean absolute percentage errors of about 4%, with the aug-cc-pVDZ basis set.

  14. Huntingtin-interacting protein 1-related is required for accurate congression and segregation of chromosomes.

    PubMed

    Park, Sun Joo

    2010-12-01

    Huntingtin-interacting protein 1-related (HIP1r) is known to function in clathrin-mediated endocytosis and regulation of the actin cytoskeleton, which occurs continuously in non-dividing cells. This study reports a new function for HIP1r in mitosis. Green fluorescent protein-fused HIP1r localizes to the mitotic spindles. Depletion of HIP1r by RNA interference induces misalignment of chromosomes and prolonged mitosis, which is associated with decreased proliferation of HIP1r-deficeint cells. Chromosome misalignment leads to missegregation and ultimately production of multinucleated cells. Depletion of HIP1r causes persistent activation of the spindle checkpoint in misaligned chromosomes. These findings suggest that HIP1r plays an important role in regulating the attachment of spindle microtubules to chromosomes during mitosis, an event that is required for accurate congression and segregation of chromosomes. This finding may provide new insights that improve the understanding of various human diseases involving HIP1r as well as its fusion genes.

  15. The importance of accurate interaction potentials in the melting of argon nanoclusters

    NASA Astrophysics Data System (ADS)

    Pahl, E.; Calvo, F.; Schwerdtfeger, P.

    The melting temperatures of argon clusters ArN (N = 13, 55, 147, 309, 561, and 923) and of bulk argon have been obtained from exchange Monte Carlo simulations and are compared using different two-body interaction potentials, namely the standard Lennard-Jones (LJ), Aziz and extended Lennard-Jones (ELJ) potentials. The latter potential has many advantages: while maintaining the computational efficiency of the commonly used LJ potential, it is as accurate as the Aziz potential but the computer time scales more favorably with increasing cluster size. By applying the ELJ form and extrapolating the cluster data to the infinite system, we are able to extract the melting point of argon already in good agreement with experimental measurements. By considering the additional Axilrod-Teller three-body contribution as well, we calculate a melting temperature of T meltELJ = 84.7 K compared to the experimental value of T meltexp = 83.85 K, whereas the LJ potential underestimates the melting point by more than 7 K. Thus melting temperatures within 1 K accuracy are now feasible.

  16. A terthiophene-containing alkynylplatinum terpyridine Pacman complex: controllable folding/unfolding modulated by weak intermolecular interactions.

    PubMed

    Cao, Yang; Wolf, Michael O; Patrick, Brian O

    2013-05-20

    Folded and unfolded solid-state structures of a bimetallic alkynylplatinum terpyridine complex with a flexible terthiophene linker have been obtained. Weak intermolecular interactions including π-π stacking and C-H···O and C-H···Cl interactions as well as Cl-π interactions stabilize the folded structure. In solution, folding is studied by electronic absorption spectroscopy and (1)H and NOESY NMR experiments.

  17. Improved Limits on Scattering of Weakly Interacting Massive Particles from Reanalysis of 2013 LUX Data

    NASA Astrophysics Data System (ADS)

    Akerib, D. S.; Araújo, H. M.; Bai, X.; Bailey, A. J.; Balajthy, J.; Beltrame, P.; Bernard, E. P.; Bernstein, A.; Biesiadzinski, T. P.; Boulton, E. M.; Bradley, A.; Bramante, R.; Cahn, S. B.; Carmona-Benitez, M. C.; Chan, C.; Chapman, J. J.; Chiller, A. A.; Chiller, C.; Currie, A.; Cutter, J. E.; Davison, T. J. R.; de Viveiros, L.; Dobi, A.; Dobson, J. E. Y.; Druszkiewicz, E.; Edwards, B. N.; Faham, C. H.; Fiorucci, S.; Gaitskell, R. J.; Gehman, V. M.; Ghag, C.; Gibson, K. R.; Gilchriese, M. G. D.; Hall, C. R.; Hanhardt, M.; Haselschwardt, S. J.; Hertel, S. A.; Hogan, D. P.; Horn, M.; Huang, D. Q.; Ignarra, C. M.; Ihm, M.; Jacobsen, R. G.; Ji, W.; Kazkaz, K.; Khaitan, D.; Knoche, R.; Larsen, N. A.; Lee, C.; Lenardo, B. G.; Lesko, K. T.; Lindote, A.; Lopes, M. I.; Malling, D. C.; Manalaysay, A.; Mannino, R. L.; Marzioni, M. F.; McKinsey, D. N.; Mei, D.-M.; Mock, J.; Moongweluwan, M.; Morad, J. A.; Murphy, A. St. J.; Nehrkorn, C.; Nelson, H. N.; Neves, F.; O'Sullivan, K.; Oliver-Mallory, K. C.; Ott, R. A.; Palladino, K. J.; Pangilinan, M.; Pease, E. K.; Phelps, P.; Reichhart, L.; Rhyne, C.; Shaw, S.; Shutt, T. A.; Silva, C.; Solovov, V. N.; Sorensen, P.; Stephenson, S.; Sumner, T. J.; Szydagis, M.; Taylor, D. J.; Taylor, W.; Tennyson, B. P.; Terman, P. A.; Tiedt, D. R.; To, W. H.; Tripathi, M.; Tvrznikova, L.; Uvarov, S.; Verbus, J. R.; Webb, R. C.; White, J. T.; Whitis, T. J.; Witherell, M. S.; Wolfs, F. L. H.; Yazdani, K.; Young, S. K.; Zhang, C.; LUX Collaboration

    2016-04-01

    We present constraints on weakly interacting massive particles (WIMP)-nucleus scattering from the 2013 data of the Large Underground Xenon dark matter experiment, including 1.4 ×104 kg day of search exposure. This new analysis incorporates several advances: single-photon calibration at the scintillation wavelength, improved event-reconstruction algorithms, a revised background model including events originating on the detector walls in an enlarged fiducial volume, and new calibrations from decays of an injected tritium β source and from kinematically constrained nuclear recoils down to 1.1 keV. Sensitivity, especially to low-mass WIMPs, is enhanced compared to our previous results which modeled the signal only above a 3 keV minimum energy. Under standard dark matter halo assumptions and in the mass range above 4 GeV c-2 , these new results give the most stringent direct limits on the spin-independent WIMP-nucleon cross section. The 90% C.L. upper limit has a minimum of 0.6 zb at 33 GeV c-2 WIMP mass.

  18. The effects of weak extremely low frequency magnetic fields on calcium/calmodulin interactions.

    PubMed Central

    Hendee, S P; Faour, F A; Christensen, D A; Patrick, B; Durney, C H; Blumenthal, D K

    1996-01-01

    Mechanisms by which weak electromagnetic fields may affect biological systems are of current interest because of their potential health effects. Lednev has proposed an ion parametric resonance hypothesis (Lednev, 1991, Bioelectromagnetics, 12:71-75), which predicts that when the ac, frequency of a combined dc-ac magnetic field equals the cyclotron frequency of calcium, the affinity of calcium for calcium-binding proteins such as calmodulin will be markedly affected. The present study evaluated Lednev's theory using two independent systems, each sensitive to changes in the affinity of calcium for calmodulin. One of the systems used was the calcium/calmodulin-dependent activation of myosin light chain kinase, a system similar to that previously used by Lednev. The other system monitored optical changes in the binding of a fluorescent peptide to the calcium/calmodulin complex. Each system was exposed to a 20.9 microT static field superimposed on a 20.9 microT sinusoidal field over a narrow frequency range centered at 16 Hz, the cyclotron frequency of the unhydrated calcium ion. In contrast to Lednev's predictions, no significant effect of combined dc-ac magnetic fields on calcium/calmodulin interactions was indicated in either experimental system. PMID:8744329

  19. Roton-maxon excitation spectrum for Q2D weakly interacted dipolar excitons

    NASA Astrophysics Data System (ADS)

    Fedorov, Aleksey; Kurbakov, Igor; Lozovik, Yurii

    2014-03-01

    Remarkable progress was achieved in investigation of collective properties and BEC of quasiparticles, e.g., excitons and polaritons. As it well known their small effective mass provides sufficiently high BEC temperature. However, in reality excitons lifetime is not enough to achieve thermodynamical equilibrium. Spatial separation of electrons and holes in semiconductor layer suppresses recombination process, and exciton lifetime increases sufficiently. Moreover, the separation results in appearance of excitons dipole moments. We predict generation of roton-maxon excitation spectrum for BEC of dipolar excitons in weak correlation regime in Q2D geometry of semiconductor layer. The effect of roton-maxon spectrum is the result of attraction and anisotropy of dipole-dipole interaction in Q2D geometry, and it can be viewed as residual phenomena of phonon collapse for 3D dipoles. According to our estimation effects of BEC and roton-maxon spectrum are principally observable experimentally for excitons in crossed electromagnetic fields in GaAs heterostructures. The work was supported by the RFBR (14-02-00937, 14-08-00606). A.K.F. is an RQC fellow.

  20. Introduction to gauge theories of the strong, weak, and electromagnetic interactions

    SciTech Connect

    Quigg, C.

    1980-07-01

    The plan of these notes is as follows. Chapter 1 is devoted to a brief evocative review of current beliefs and prejudices that form the context for the discussion to follow. The idea of Gauge Invariance is introduced in Chapter 2, and the connection between conservation laws and symmetries of the Lagrangian is recalled. Non-Abelian gauge field theories are constructed in Chapter 3, by analogy with the familiar case of electromagnetism. The Yang-Mills theory based upon isospin symmetry is constructed explicitly, and the generalization is made to other gauge groups. Chapter 4 is concerned with spontaneous symmetry breaking and the phenomena that occur in the presence or absence of local gauge symmetries. The existence of massless scalar fields (Goldstone particles) and their metamorphosis by means of the Higgs mechanism are illustrated by simple examples. The Weinberg-Salam model is presented in Chapter 5, and a brief resume of applications to experiment is given. Quantum Chromodynamics, the gauge theory of colored quarks and gluons, is developed in Chapter 6. Asymptotic freedom is derived schematically, and a few simple applications of perturbative QCD ae exhibited. Details of the conjectured confinement mechanism are omitted. The strategy of grand unified theories of the strong, weak, and electromagnetic interactions is laid out in Chapter 7. Some properties and consequences of the minimal unifying group SU(5) are presented, and the gauge hierarchy problem is introduced in passing. The final chapter contains an essay on the current outlook: aspirations, unanswered questions, and bold scenarios.

  1. Thermodynamics of the weak interaction between samarium cation and xylitol in water: A chemical model

    SciTech Connect

    Rongere, P.; Morel-Desrosiers, N.; Morel, J.P. )

    1994-03-01

    The thermodynamic characterization of the weakly complexed model system Sm[sup 3+]-xylitol has been carried out. The standard Gibbs energy, enthalpy, entropy, volume and heat capacity of complexation of Sm[sup 3+] by xylitol have been determined in water at 25[degrees]. The stability constant and the enthalpy change have been simultaneously determined by using a calorimetric method. The thermodynamic properties characterizing solely the specific interaction between the cation and the complexing sequence of hydroxyl groups of the ligand have been isolated. The stability constant and the volume of complexation have also been estimated from a similar treatment of the apparent molar volumes. It was found that the reaction by: K = 8.1, [Delta][sub r]G[sup o] = -5.2 kJ-mol[sup [minus]1], [Delta][sub r]H[sup o] = -13.7 kJ-mol[sup [minus]1], T[Delta][sub r]S[sup o] = -8.5 kJ-mol[sup [minus]1], [Delta][sub r]V[sup o] = 8.8 cm[sup 3]-mol[sup [minus]1] and [Delta][sub r]C[sup o[sub p

  2. Microstructure, local dynamics, and flow behavior of colloidal suspensions with weak attractive interactions

    NASA Astrophysics Data System (ADS)

    Weis, Clara; Oelschlaeger, Claude; Dijkstra, Dick; Ranft, Meik; Willenbacher, Norbert

    2016-09-01

    We present a comprehensive micro- and macrorheological study of the effect of weak depletion attraction (Ψdep ≈ 1–10 kBT) on dense colloidal suspensions stabilized by short-range repulsive interactions. We used aqueous polymer dispersions as model system and demonstrated the unique capabilities of multiple particle tracking (MPT) to disclose structural changes in such technically important systems exhibiting many characteristic features of hard sphere systems. Below the hard sphere freezing point ϕc, viscosity increases monotonically with increasing Ψdep due to the transition from a fluid to a fluid/crystalline and finally to a gel state. Above ϕc, increasing attraction strength first results in a viscosity reduction corresponding to the formation of large, permeable crystals and then in a viscosity increase when a network of dense, small crystals forms. The fraction of the fluid and crystal phase, particle concentration in each phase as well as the modulus of the micro-crystals are obtained, the latter decreases with Ψdep. Above the colloidal glass transition strong heterogeneities and different local particle mobility in the repulsive and attractive arrested states are found. Particles are trapped in the cage of neighboring particles rather than in an attractive potential well. The intermediate ergodic state exhibits uniform tracer diffusivity.

  3. Optical response of a quantum dot-metal nanoparticle hybrid interacting with a weak probe field

    NASA Astrophysics Data System (ADS)

    Kosionis, Spyridon G.; Terzis, Andreas F.; Sadeghi, Seyed M.; Paspalakis, Emmanuel

    2013-01-01

    We study optical effects in a hybrid system composed of a semiconductor quantum dot and a spherical metal nanoparticle that interacts with a weak probe electromagnetic field. We use modified nonlinear density matrix equations for the description of the optical properties of the system and obtain a closed-form expression for the linear susceptibilities of the quantum dot, the metal nanoparticle, and the total system. We then investigate the dependence of the susceptibility on the interparticle distance as well as on the material parameters of the hybrid system. We find that the susceptibility of the quantum dot exhibits optical transparency for specific frequencies. In addition, we show that there is a range of frequencies of the applied field for which the susceptibility of the semiconductor quantum dot leads to gain. This suggests that in such a hybrid system quantum coherence can reverse the course of energy transfer, allowing flow of energy from the metallic nanoparticle to the quantum dot. We also explore the susceptibility of the metal nanoparticle and show that it is strongly influenced by the presence of the quantum dot.

  4. Improved limits on scattering of weakly interacting massive particles from reanalysis of 2013 LUX data

    SciTech Connect

    Akerib, D. S.

    2016-04-20

    Here, we present constraints on weakly interacting massive particles (WIMP)-nucleus scattering from the 2013 data of the Large Underground Xenon dark matter experiment, including 1.4 × 104 kg day of search exposure. This new analysis incorporates several advances: single-photon calibration at the scintillation wavelength, improved event-reconstruction algorithms, a revised background model including events originating on the detector walls in an enlarged fiducial volume, and new calibrations from decays of an injected tritium β source and from kinematically constrained nuclear recoils down to 1.1 keV. Sensitivity, especially to low-mass WIMPs, is enhanced compared to our previous results which modeled the signal only above a 3 keV minimum energy. Under standard dark matter halo assumptions and in the mass range above 4 GeV c–2, these new results give the most stringent direct limits on the spin-independent WIMP-nucleon cross section. The 90% C.L. upper limit has a minimum of 0.6 zb at 33 GeV c–2 WIMP mass.

  5. Optical response of a quantum dot-metal nanoparticle hybrid interacting with a weak probe field.

    PubMed

    Kosionis, Spyridon G; Terzis, Andreas F; Sadeghi, Seyed M; Paspalakis, Emmanuel

    2013-01-30

    We study optical effects in a hybrid system composed of a semiconductor quantum dot and a spherical metal nanoparticle that interacts with a weak probe electromagnetic field. We use modified nonlinear density matrix equations for the description of the optical properties of the system and obtain a closed-form expression for the linear susceptibilities of the quantum dot, the metal nanoparticle, and the total system. We then investigate the dependence of the susceptibility on the interparticle distance as well as on the material parameters of the hybrid system. We find that the susceptibility of the quantum dot exhibits optical transparency for specific frequencies. In addition, we show that there is a range of frequencies of the applied field for which the susceptibility of the semiconductor quantum dot leads to gain. This suggests that in such a hybrid system quantum coherence can reverse the course of energy transfer, allowing flow of energy from the metallic nanoparticle to the quantum dot. We also explore the susceptibility of the metal nanoparticle and show that it is strongly influenced by the presence of the quantum dot.

  6. Improved limits on scattering of weakly interacting massive particles from reanalysis of 2013 LUX data

    DOE PAGES

    Akerib, D. S.

    2016-04-20

    Here, we present constraints on weakly interacting massive particles (WIMP)-nucleus scattering from the 2013 data of the Large Underground Xenon dark matter experiment, including 1.4 × 104 kg day of search exposure. This new analysis incorporates several advances: single-photon calibration at the scintillation wavelength, improved event-reconstruction algorithms, a revised background model including events originating on the detector walls in an enlarged fiducial volume, and new calibrations from decays of an injected tritium β source and from kinematically constrained nuclear recoils down to 1.1 keV. Sensitivity, especially to low-mass WIMPs, is enhanced compared to our previous results which modeled the signalmore » only above a 3 keV minimum energy. Under standard dark matter halo assumptions and in the mass range above 4 GeV c–2, these new results give the most stringent direct limits on the spin-independent WIMP-nucleon cross section. The 90% C.L. upper limit has a minimum of 0.6 zb at 33 GeV c–2 WIMP mass.« less

  7. Electrocommunication behaviour during social interactions in two species of pulse-type weakly electric fishes (Mormyridae).

    PubMed

    Gebhardt, K; Böhme, M; von der Emde, G

    2012-12-01

    This study compares electrocommunication behaviour in groups of freely swimming weakly electric fishes of two species, Marcusenius altisambesi and Mormyrus rume. Animals emitted variable temporal sequences of stereotyped electric organ discharges (EOD) that served as communication signals. While the waveform of individual signals remained constant, the inter-discharge interval (IDI) patterns conveyed situation-specific information. Both species showed different types of group behaviour, e.g. they engaged in collective (group) foraging. The results show that in each species, during different behavioural conditions (resting, foraging and agonistic encounters), certain situation-specific IDI patterns occurred. In both species, neighbouring fishes swimming closely together interacted electrically by going in and out of synchronization episodes, i.e. periods of temporally correlated EOD production. These often resulted in echo responses between neighbours. During group foraging, fishes often signalled in a repetitive fixed order (fixed-order signalling). During foraging, EOD emission rates of M. altisambesi were higher and more regular than those of M. rume. The two species also differed in the quantity of group behaviours with M. altisambesi being more social than M. rume, which was reflected in the lack of specific agonistic IDI patterns, more fixed-order signalling and more communal resting behaviour in M. altisambesi.

  8. Searching for Tensor Currents in the Weak Interaction Using 8Li β Decay

    NASA Astrophysics Data System (ADS)

    Burkey, M. T.; Savard, G.; Segel, R. E.; Clark, J. A.; Scielzo, N. D.; Gallant, A. T.; Kolos, K.; Padgett, S. W.; Wang, B. S.; Hirsh, T.; Heckmaier, E.; Marley, S. T.; Morgan, G.; Orford, R.; Sharma, K. S.

    2017-01-01

    The weak interaction is framed in the Standard Model with a pure vector-axial vector structure. A high-precision measurement of the β - ν correlation coefficient (aβν) could reveal contributions from tensor or scalar currents and give insight into new physics. We utilize stopped 8Li in the Beta decay Paul Trap (BPT) at Argonne National Lab to measure aβν. The BPT is surrounded on 4 sides with double-sided silicon strip detectors backed by plastic scintillator detectors, which allow the kinematics of the 8Li decay products to be over-constrained. A previous measurement done by our collaboration resulted in the first improvement in over 50 years to the tensor limit of aβν in a nuclear setting and was recently published in PRL. We have since upgraded our system and obtained over ten times our previous statistics. Our goal is to achieve a limit of aβν with an uncertainty of 0.001. Analysis is ongoing. We acknowledge NSERC, Canada, App. No. 216974, the U.S. DOE Contract No. DE-AC02-06CH11357 [ANL] and DE-AC52-07NA27344 [LLNL], NSF Grant No. 1144082 and the ANL ATLAS facility

  9. Microstructure, local dynamics, and flow behavior of colloidal suspensions with weak attractive interactions

    PubMed Central

    Weis, Clara; Oelschlaeger, Claude; Dijkstra, Dick; Ranft, Meik; Willenbacher, Norbert

    2016-01-01

    We present a comprehensive micro- and macrorheological study of the effect of weak depletion attraction (Ψdep ≈ 1–10 kBT) on dense colloidal suspensions stabilized by short-range repulsive interactions. We used aqueous polymer dispersions as model system and demonstrated the unique capabilities of multiple particle tracking (MPT) to disclose structural changes in such technically important systems exhibiting many characteristic features of hard sphere systems. Below the hard sphere freezing point ϕc, viscosity increases monotonically with increasing Ψdep due to the transition from a fluid to a fluid/crystalline and finally to a gel state. Above ϕc, increasing attraction strength first results in a viscosity reduction corresponding to the formation of large, permeable crystals and then in a viscosity increase when a network of dense, small crystals forms. The fraction of the fluid and crystal phase, particle concentration in each phase as well as the modulus of the micro-crystals are obtained, the latter decreases with Ψdep. Above the colloidal glass transition strong heterogeneities and different local particle mobility in the repulsive and attractive arrested states are found. Particles are trapped in the cage of neighboring particles rather than in an attractive potential well. The intermediate ergodic state exhibits uniform tracer diffusivity. PMID:27653975

  10. Weak protein interactions and pH- and temperature-dependent aggregation of human Fc1

    PubMed Central

    Wu, Haixia; Truncali, Kristopher; Ritchie, Julie; Kroe-Barrett, Rachel; Singh, Sanjaya; Robinson, Anne S; Roberts, Christopher J

    2015-01-01

    The Fc (fragment crystallizable) is a common structural region in immunoglobulin gamma (IgG) proteins, IgG-based multi-specific platforms, and Fc-fusion platform technologies. Changes in conformational stability, protein-protein interactions, and aggregation of NS0-produced human Fc1 were quantified experimentally as a function of pH (4 to 6) and temperature (30 to 77°C), using a combination of differential scanning calorimetry, laser light scattering, size-exclusion chromatography, and capillary electrophoresis. The Fc1 was O-glycosylated at position 3 (threonine), and confirmed to correspond to the intact IgG1 by comparison with Fc1 produced by cleavage of the parent IgG1. Changing the pH caused large effects for thermal unfolding transitions, but it caused surprisingly smaller effects for electrostatic protein-protein interactions. The aggregation behavior was qualitatively similar across different solution conditions, with soluble dimers and larger oligomers formed in most cases. Aggregation rates spanned approximately 5 orders of magnitude and could be divided into 2 regimes: (i) Arrhenius, unfolding-limited aggregation at temperatures near or above the midpoint-unfolding temperature of the CH2 domain; (ii) a non-Arrhenius regime at lower temperatures, presumably as a result of the temperature dependence of the unfolding enthalpy for the CH2 domain. The non-Arrhenius regime was most pronounced for lower temperatures. Together with the weak protein-protein repulsions, these highlight challenges that are expected for maintaining long-term stability of biotechnology products that are based on human Fc constructs. PMID:26267255

  11. Accurate dispersion interactions from standard density-functional theory methods with small basis sets.

    PubMed

    Mackie, Iain D; Dilabio, Gino A

    2010-06-21

    B971, PBE and PBE1 density functionals with 6-31G(d) basis sets are shown to accurately describe the binding in dispersion bound dimers. This is achieved through the use of dispersion-correcting potentials (DCPs) in conjunction with counterpoise corrections. DCPs resemble and are applied like conventional effective core potentials that can be used with most computational chemistry programs without code modification. Rather, DCPs are implemented by simple appendage to the input files for these types of programs. Binding energies are predicted to within ca. 11% and monomer separations to within ca. 0.06 A of high-level wavefunction data using B971/6-31G(d)-DCP. Similar results are obtained for PBE and PBE1 with the 6-31G(d) basis sets and DCPs. Although results found using the 3-21G(d) are not as impressive, they never-the-less show promise as a means of initial study for a wide variety of dimers, including those dominated by dispersion, hydrogen-bonding and a mixture of interactions. Notable improvement is found in comparison to M06-2X/6-31G(d) data, e.g., mean absolute deviations for the S22-set of dimers of ca. 13.6 and 16.5% for B971/6-31G(d)-DCP and M06-2X, respectively. However, it should be pointed out that the latter data were obtained using a larger integration grid size since a smaller grid results in different binding energies and geometries for simple dispersion-bound dimers such as methane and ethene.

  12. Highly Accurate Prediction of Protein-Protein Interactions via Incorporating Evolutionary Information and Physicochemical Characteristics

    PubMed Central

    Li, Zheng-Wei; You, Zhu-Hong; Chen, Xing; Gui, Jie; Nie, Ru

    2016-01-01

    Protein-protein interactions (PPIs) occur at almost all levels of cell functions and play crucial roles in various cellular processes. Thus, identification of PPIs is critical for deciphering the molecular mechanisms and further providing insight into biological processes. Although a variety of high-throughput experimental techniques have been developed to identify PPIs, existing PPI pairs by experimental approaches only cover a small fraction of the whole PPI networks, and further, those approaches hold inherent disadvantages, such as being time-consuming, expensive, and having high false positive rate. Therefore, it is urgent and imperative to develop automatic in silico approaches to predict PPIs efficiently and accurately. In this article, we propose a novel mixture of physicochemical and evolutionary-based feature extraction method for predicting PPIs using our newly developed discriminative vector machine (DVM) classifier. The improvements of the proposed method mainly consist in introducing an effective feature extraction method that can capture discriminative features from the evolutionary-based information and physicochemical characteristics, and then a powerful and robust DVM classifier is employed. To the best of our knowledge, it is the first time that DVM model is applied to the field of bioinformatics. When applying the proposed method to the Yeast and Helicobacter pylori (H. pylori) datasets, we obtain excellent prediction accuracies of 94.35% and 90.61%, respectively. The computational results indicate that our method is effective and robust for predicting PPIs, and can be taken as a useful supplementary tool to the traditional experimental methods for future proteomics research. PMID:27571061

  13. A time-accurate adaptive grid method and the numerical simulation of a shock-vortex interaction

    NASA Technical Reports Server (NTRS)

    Bockelie, Michael J.; Eiseman, Peter R.

    1990-01-01

    A time accurate, general purpose, adaptive grid method is developed that is suitable for multidimensional steady and unsteady numerical simulations. The grid point movement is performed in a manner that generates smooth grids which resolve the severe solution gradients and the sharp transitions in the solution gradients. The temporal coupling of the adaptive grid and the PDE solver is performed with a grid prediction correction method that is simple to implement and ensures the time accuracy of the grid. Time accurate solutions of the 2-D Euler equations for an unsteady shock vortex interaction demonstrate the ability of the adaptive method to accurately adapt the grid to multiple solution features.

  14. A backbone design principle for covalent organic frameworks: the impact of weakly interacting units on CO2 adsorption.

    PubMed

    Zhai, Lipeng; Huang, Ning; Xu, Hong; Chen, Qiuhong; Jiang, Donglin

    2017-03-31

    Covalent organic frameworks are designed to have backbones with different yet discrete contents of triarylamine units that interact weakly with CO2. Adsorption experiments indicate that the triarylamine units dominate the CO2 adsorption process and the CO2 uptake increases monotonically with the triarylamine content. These profound collective effects reveal a principle for designing backbones targeting for CO2 capture and separation.

  15. Interactions of Tollmien-Schlichting waves and Dean vortices. Comparison of direct numerical simulation and a weakly nonlinear theory

    NASA Technical Reports Server (NTRS)

    Singer, Bart A.; Zang, Thomas A.

    1989-01-01

    Direct numerical simulation is used to evaluate a weakly nonlinear theory describing the interaction of Tollmien-Schlichting waves with Dean vortices in curved channel flow. The theory and the simulation agree for certain combinations of parameters, but the two approaches give conflicting results for other combinations. Some possibilities for these discrepancies are discussed.

  16. Weak interaction for higher-order nonlinear Schrödinger equation: An application of soliton perturbation

    NASA Astrophysics Data System (ADS)

    Eskandar, S.; Hoseini, S. M.

    2017-04-01

    Using soliton perturbation theory, we analytically study weak interaction for a higher-order nonlinear Schrödinger equation. An ansatz consists of two well-separate single solitons is considered and slow variation of solitons parameters are found. Twelve different scenarios for when the initial velocities are zero are observed. A good comparison is found between numerical and analytical results.

  17. Synthesis and structure of dithiocarbonimidates derived from aromatic heterocycles: Role of weak interactions in the preferred conformation

    NASA Astrophysics Data System (ADS)

    Peña-Hueso, Adrián; Téllez, Fabiola; Vieto-Peña, Rebeca; Esquivel, Rodolfo O.; Esparza-Ruiz, Adriana; Ramos-García, Iris; Contreras, Rosalinda; Barba-Behrens, Norah; Flores-Parra, Angelina

    2010-12-01

    The synthesis and the structure of four dimethyldithiocarbonimidates: 1-methyl-2-dimethyldithiocarbonimidate-benzimidazole ( 1), 5-chloro-2-[dimethyldithiocarbonimidate]-benzoxazole ( 2), 1-methyl-2-[dimethyldithiocarbonimidate]-pyrimidinium iodide ( 3) and 1,4-dimethyl-6-oxo-2-[dimethyldithiocarbonimidate]-pyrimidine ( 4), were investigated by TOF mass spectra, NMR and X-ray diffraction analyses. It was found that the molecules were planar with preferred conformations dictated by intramolecular N → S interactions. In the crystals, dimers or polymers were stabilized through S⋯S, S⋯π and C sbnd H⋯Y (Y = S, O, N and π electrons) interactions. Calculations confirmed the weak interactions.

  18. A More Accurate and Efficient Technique Developed for Using Computational Methods to Obtain Helical Traveling-Wave Tube Interaction Impedance

    NASA Technical Reports Server (NTRS)

    Kory, Carol L.

    1999-01-01

    The phenomenal growth of commercial communications has created a great demand for traveling-wave tube (TWT) amplifiers. Although the helix slow-wave circuit remains the mainstay of the TWT industry because of its exceptionally wide bandwidth, until recently it has been impossible to accurately analyze a helical TWT using its exact dimensions because of the complexity of its geometrical structure. For the first time, an accurate three-dimensional helical model was developed that allows accurate prediction of TWT cold-test characteristics including operating frequency, interaction impedance, and attenuation. This computational model, which was developed at the NASA Lewis Research Center, allows TWT designers to obtain a more accurate value of interaction impedance than is possible using experimental methods. Obtaining helical slow-wave circuit interaction impedance is an important part of the design process for a TWT because it is related to the gain and efficiency of the tube. This impedance cannot be measured directly; thus, conventional methods involve perturbing a helical circuit with a cylindrical dielectric rod placed on the central axis of the circuit and obtaining the difference in resonant frequency between the perturbed and unperturbed circuits. A mathematical relationship has been derived between this frequency difference and the interaction impedance (ref. 1). However, because of the complex configuration of the helical circuit, deriving this relationship involves several approximations. In addition, this experimental procedure is time-consuming and expensive, but until recently it was widely accepted as the most accurate means of determining interaction impedance. The advent of an accurate three-dimensional helical circuit model (ref. 2) made it possible for Lewis researchers to fully investigate standard approximations made in deriving the relationship between measured perturbation data and interaction impedance. The most prominent approximations made

  19. Limit on second class polar vector couplings in semileptonic weak interactions

    SciTech Connect

    Holstein, B.R.

    1984-02-01

    Although a great deal of experimental work has succeeded in limiting a possible second class axial coupling to about ten percent of the size of weak magnetism, published limits on the size of a possible second class polar vector current are one order of magnitude less sensitive. We summarize the present situation and demonstrate that muon capture provides the strictest present limit.

  20. Semiclassical description of hyperfine interaction in calculating chemically induced dynamic nuclear polarization in weak magnetic fields

    SciTech Connect

    Purtov, P.A.; Salikhov, K.M.

    1987-09-01

    Semiclassical HFI description is applicable to calculating the integral CIDNP effect in weak fields. The HFI has been calculated for radicals with sufficiently numerous magnetically equivalent nuclei (n greater than or equal to 5) in satisfactory agreement with CIDNP calculations based on quantum-mechanical description of radical-pair spin dynamics.

  1. Bogoliubov approach to superfluid-Bose glass phase transition of a disordered Bose-Hubbard model in weakly interacting regime

    NASA Astrophysics Data System (ADS)

    Wang, Botao; Jiang, Ying

    2016-11-01

    We investigate the disorder effect on coherent fraction and the quantum phase transition of ultracold dilute Bose gases trapped in disordered optical lattices. Within the framework of Bogoliubov theory, an analytical expression for the particle density is derived and the dependence of coherent fraction on disorder strength as well as on lattice depth is discussed. In weak disorder regime, we find a decreased sensitivity of coherent fraction to disorder with the increase of on-site interaction strength. For strong disorder, the quantum phase boundary between superfluid phase and Bose glass phase in the disordered Bose-Hubbard system in weak interaction regime is discussed qualitatively. The obtained phase diagram is in agreement with the empirical square-root law. The dependence of the corresponding critical value of the disorder strength on optical lattice depth is presented as well, and may serve as a reference object for possible experimental investigation.

  2. Exploring weak, transient protein--protein interactions in crowded in vivo environments by in-cell nuclear magnetic resonance spectroscopy.

    PubMed

    Wang, Qinghua; Zhuravleva, Anastasia; Gierasch, Lila M

    2011-11-01

    Biology relies on functional interplay of proteins in the crowded and heterogeneous environment inside cells, and functional protein interactions are often weak and transient. Thus, methods that preserve these interactions and provide information about them are needed. In-cell nuclear magnetic resonance (NMR) spectroscopy is an attractive method for studying a protein's behavior in cells because it may provide residue-level structural and dynamic information, yet several factors limit the feasibility of protein NMR spectroscopy in cells; among them, slow rotational diffusion has emerged as the most important. In this paper, we seek to elucidate the causes of the dramatically slow protein tumbling in cells and in so doing to gain insight into how the intracellular viscosity and weak, transient interactions modulate protein mobility. To address these questions, we characterized the rotational diffusion of three model globular proteins in Escherichia coli cells using two-dimensional heteronuclear NMR spectroscopy. These proteins have a similar molecular size and globular fold but very different surface properties, and indeed, they show very different rotational diffusion in the E. coli intracellular environment. Our data are consistent with an intracellular viscosity approximately 8 times that of water, too low to be a limiting factor for observation of small globular proteins by in-cell NMR spectroscopy. Thus, we conclude that transient interactions with cytoplasmic components significantly and differentially affect the mobility of proteins and therefore their NMR detectability. Moreover, we suggest that an intricate interplay of total protein charge and hydrophobic interactions plays a key role in regulating these weak intermolecular interactions in cells.

  3. Surface Fluxes and Wind-Wave Interactions in Weak Wind Conditions

    DTIC Science & Technology

    2016-06-07

    science /abl/cblast LONG-TERM GOALS We will investigate air-sea transfer of momentum, heat, and moisture under weak wind conditions. We will...over the ASIT tower and the wind direction was good for the tower sonic performance (6 days in total). As we found last year that although the momentum...flux derived from the aircraft is flight- direction dependent, which was recently found to be a common problem for all aircraft flux measurements

  4. A two-locus interaction causes interspecific hybrid weakness in rice.

    PubMed

    Chen, Chen; Chen, Hao; Lin, You-Shun; Shen, Jin-Bo; Shan, Jun-Xiang; Qi, Peng; Shi, Min; Zhu, Mei-Zhen; Huang, Xue-Hui; Feng, Qi; Han, Bin; Jiang, Liwen; Gao, Ji-Ping; Lin, Hong-Xuan

    2014-01-01

    Reproductive barriers perform a vital role during speciation. Hybrid weakness, the poorer development of hybrids compared with their parents, hinders gene exchange between different species at the postzygotic stage. Here we show that two incompatible dominant loci (Hwi1 and Hwi2) involving three genes are likely to determine the high temperature-dependent expression of hybrid weakness in interspecific hybrids of rice. Hwi1 comprises two leucine-rich repeat receptor-like kinase (LRR-RLK) genes, 25L1 and 25L2, which are specific to wild rice (Oryza rufipogon) and induce hybrid weakness. Hwi2, a rare allele that is predominantly distributed in indica rice (Oryza sativa), encodes a secreted putative subtilisin-like protease. Functional analysis indicated that pyramiding of Hwi1 and Hwi2 activates the autoimmune response in the basal nodes of hybrids, interrupting root formation and then impairing shoot growth. These findings bring new insights into our understanding of reproductive isolation and may benefit rice breeding.

  5. Accurate measurements of electric quadrupole hyperfine interactions of very dilute spins in magnetic solids

    NASA Astrophysics Data System (ADS)

    Chaplin, D. H.; Hutchison, W. D.; Prandolini, M. J.; Bowden, G. J.

    1998-01-01

    The application of double and triple resonance techniques to enhance signals in quadrupole interaction — nuclear magnetic resonance on oriented nuclei spectroscopy, is illustrated for the antiferromagnet ( 54Mn)MnBr 2-4H 2O. Unusual shifts of the quadrupolar split, higher order, ν ±2, ±1 subresonance, comparable to the NMRON linewidth, are observed and explained.

  6. Accurate method for including solid-fluid boundary interactions in mesoscopic model fluids

    SciTech Connect

    Berkenbos, A. Lowe, C.P.

    2008-04-20

    Particle models are attractive methods for simulating the dynamics of complex mesoscopic fluids. Many practical applications of this methodology involve flow through a solid geometry. As the system is modeled using particles whose positions move continuously in space, one might expect that implementing the correct stick boundary condition exactly at the solid-fluid interface is straightforward. After all, unlike discrete methods there is no mapping onto a grid to contend with. In this article we describe a method that, for axisymmetric flows, imposes both the no-slip condition and continuity of stress at the interface. We show that the new method then accurately reproduces correct hydrodynamic behavior right up to the location of the interface. As such, computed flow profiles are correct even using a relatively small number of particles to model the fluid.

  7. Screened exchange hybrid density functional for accurate and efficient structures and interaction energies.

    PubMed

    Brandenburg, Jan Gerit; Caldeweyher, Eike; Grimme, Stefan

    2016-06-21

    We extend the recently introduced PBEh-3c global hybrid density functional [S. Grimme et al., J. Chem. Phys., 2015, 143, 054107] by a screened Fock exchange variant based on the Henderson-Janesko-Scuseria exchange hole model. While the excellent performance of the global hybrid is maintained for small covalently bound molecules, its performance for computed condensed phase mass densities is further improved. Most importantly, a speed up of 30 to 50% can be achieved and especially for small orbital energy gap cases, the method is numerically much more robust. The latter point is important for many applications, e.g., for metal-organic frameworks, organic semiconductors, or protein structures. This enables an accurate density functional based electronic structure calculation of a full DNA helix structure on a single core desktop computer which is presented as an example in addition to comprehensive benchmark results.

  8. Accurate formula for dissipative interaction in frequency modulation atomic force microscopy

    SciTech Connect

    Suzuki, Kazuhiro; Matsushige, Kazumi; Yamada, Hirofumi; Kobayashi, Kei; Labuda, Aleksander

    2014-12-08

    Much interest has recently focused on the viscosity of nano-confined liquids. Frequency modulation atomic force microscopy (FM-AFM) is a powerful technique that can detect variations in the conservative and dissipative forces between a nanometer-scale tip and a sample surface. We now present an accurate formula to convert the dissipation power of the cantilever measured during the experiment to damping of the tip-sample system. We demonstrated the conversion of the dissipation power versus tip-sample separation curve measured using a colloidal probe cantilever on a mica surface in water to the damping curve, which showed a good agreement with the theoretical curve. Moreover, we obtained the damping curve from the dissipation power curve measured on the hydration layers on the mica surface using a nanometer-scale tip, demonstrating that the formula allows us to quantitatively measure the viscosity of a nano-confined liquid using FM-AFM.

  9. Can a Global Model Accurately Simulate Land-Atmosphere Interactions under Climate Change Conditions?

    NASA Astrophysics Data System (ADS)

    Zhou, C., VI; Wang, K.

    2015-12-01

    Surface air temperature (Ta) is largely determined by surface net radiation (Rn) and its partitioning into latent (LE) and sensible heat fluxes (H). Existing model evaluations of the absolute values of these fluxes are less helpful because the evaluation results are a blending of inconsistent spatial scales, inaccurate model forcing data and inaccurate parameterizations. This study further evaluates the relationship of LE and H with Rn and environmental parameters, including Ta, relative humidity (RH) and wind speed (WS), using ERA-interim reanalysis data at a grid of 0.125°×0.125° with measurements at AmeriFlux sites from 1998 to 2012. The results demonstrate that ERA-Interim can reproduce the absolute values of environmental parameters, radiation and turbulent fluxes rather accurately. The model performs well in simulating the correlation of LE and H to Rn, except for the notable correlation overestimation of H against Rn over high-density vegetation (e.g., deciduous broadleaf forest (DBF), grassland (GRA) and cropland (CRO)). The sensitivity of LE to Rn in the model is similar to the observations, but that of H to Rn is overestimated by 24.2%. In regions with high-density vegetation, the correlation coefficient between H and Ta is overestimated by more than 0.2, whereas that between H and WS is underestimated by more than 0.43. The sensitivity of H to Ta is overestimated by 0.72 Wm-2 °C-1, whereas that of H to WS in the model is underestimated by 16.15 Wm-2/(ms-1) over all of the sites. Considering both LE and H, the model cannot accurately capture the response of the evaporative fraction (EF=LE/(LE+H)) to Rn and the environmental parameters.

  10. Accurate method for the Brownian dynamics simulation of spherical particles with hard-body interactions

    NASA Astrophysics Data System (ADS)

    Barenbrug, Theo M. A. O. M.; Peters, E. A. J. F. (Frank); Schieber, Jay D.

    2002-11-01

    In Brownian Dynamics simulations, the diffusive motion of the particles is simulated by adding random displacements, proportional to the square root of the chosen time step. When computing average quantities, these Brownian contributions usually average out, and the overall simulation error becomes proportional to the time step. A special situation arises if the particles undergo hard-body interactions that instantaneously change their properties, as in absorption or association processes, chemical reactions, etc. The common "naı̈ve simulation method" accounts for these interactions by checking for hard-body overlaps after every time step. Due to the simplification of the diffusive motion, a substantial part of the actual hard-body interactions is not detected by this method, resulting in an overall simulation error proportional to the square root of the time step. In this paper we take the hard-body interactions during the time step interval into account, using the relative positions of the particles at the beginning and at the end of the time step, as provided by the naı̈ve method, and the analytical solution for the diffusion of a point particle around an absorbing sphere. Öttinger used a similar approach for the one-dimensional case [Stochastic Processes in Polymeric Fluids (Springer, Berlin, 1996), p. 270]. We applied the "corrected simulation method" to the case of a simple, second-order chemical reaction. The results agree with recent theoretical predictions [K. Hyojoon and Joe S. Kook, Phys. Rev. E 61, 3426 (2000)]. The obtained simulation error is proportional to the time step, instead of its square root. The new method needs substantially less simulation time to obtain the same accuracy. Finally, we briefly discuss a straightforward way to extend the method for simulations of systems with additional (deterministic) forces.

  11. CombiROC: an interactive web tool for selecting accurate marker combinations of omics data.

    PubMed

    Mazzara, Saveria; Rossi, Riccardo L; Grifantini, Renata; Donizetti, Simone; Abrignani, Sergio; Bombaci, Mauro

    2017-03-30

    Diagnostic accuracy can be improved considerably by combining multiple markers, whose performance in identifying diseased subjects is usually assessed via receiver operating characteristic (ROC) curves. The selection of multimarker signatures is a complicated process that requires integration of data signatures with sophisticated statistical methods. We developed a user-friendly tool, called CombiROC, to help researchers accurately determine optimal markers combinations from diverse omics methods. With CombiROC data from different domains, such as proteomics and transcriptomics, can be analyzed using sensitivity/specificity filters: the number of candidate marker panels rising from combinatorial analysis is easily optimized bypassing limitations imposed by the nature of different experimental approaches. Leaving to the user full control on initial selection stringency, CombiROC computes sensitivity and specificity for all markers combinations, performances of best combinations and ROC curves for automatic comparisons, all visualized in a graphic interface. CombiROC was designed without hard-coded thresholds, allowing a custom fit to each specific data: this dramatically reduces the computational burden and lowers the false negative rates given by fixed thresholds. The application was validated with published data, confirming the marker combination already originally described or even finding new ones. CombiROC is a novel tool for the scientific community freely available at http://CombiROC.eu.

  12. CombiROC: an interactive web tool for selecting accurate marker combinations of omics data

    PubMed Central

    Mazzara, Saveria; Rossi, Riccardo L.; Grifantini, Renata; Donizetti, Simone; Abrignani, Sergio; Bombaci, Mauro

    2017-01-01

    Diagnostic accuracy can be improved considerably by combining multiple markers, whose performance in identifying diseased subjects is usually assessed via receiver operating characteristic (ROC) curves. The selection of multimarker signatures is a complicated process that requires integration of data signatures with sophisticated statistical methods. We developed a user-friendly tool, called CombiROC, to help researchers accurately determine optimal markers combinations from diverse omics methods. With CombiROC data from different domains, such as proteomics and transcriptomics, can be analyzed using sensitivity/specificity filters: the number of candidate marker panels rising from combinatorial analysis is easily optimized bypassing limitations imposed by the nature of different experimental approaches. Leaving to the user full control on initial selection stringency, CombiROC computes sensitivity and specificity for all markers combinations, performances of best combinations and ROC curves for automatic comparisons, all visualized in a graphic interface. CombiROC was designed without hard-coded thresholds, allowing a custom fit to each specific data: this dramatically reduces the computational burden and lowers the false negative rates given by fixed thresholds. The application was validated with published data, confirming the marker combination already originally described or even finding new ones. CombiROC is a novel tool for the scientific community freely available at http://CombiROC.eu. PMID:28358118

  13. Size-extensivity-corrected multireference configuration interaction schemes to accurately predict bond dissociation energies of oxygenated hydrocarbons

    SciTech Connect

    Oyeyemi, Victor B.; Krisiloff, David B.; Keith, John A.; Libisch, Florian; Pavone, Michele; Carter, Emily A.

    2014-01-28

    Oxygenated hydrocarbons play important roles in combustion science as renewable fuels and additives, but many details about their combustion chemistry remain poorly understood. Although many methods exist for computing accurate electronic energies of molecules at equilibrium geometries, a consistent description of entire combustion reaction potential energy surfaces (PESs) requires multireference correlated wavefunction theories. Here we use bond dissociation energies (BDEs) as a foundational metric to benchmark methods based on multireference configuration interaction (MRCI) for several classes of oxygenated compounds (alcohols, aldehydes, carboxylic acids, and methyl esters). We compare results from multireference singles and doubles configuration interaction to those utilizing a posteriori and a priori size-extensivity corrections, benchmarked against experiment and coupled cluster theory. We demonstrate that size-extensivity corrections are necessary for chemically accurate BDE predictions even in relatively small molecules and furnish examples of unphysical BDE predictions resulting from using too-small orbital active spaces. We also outline the specific challenges in using MRCI methods for carbonyl-containing compounds. The resulting complete basis set extrapolated, size-extensivity-corrected MRCI scheme produces BDEs generally accurate to within 1 kcal/mol, laying the foundation for this scheme's use on larger molecules and for more complex regions of combustion PESs.

  14. Size-extensivity-corrected multireference configuration interaction schemes to accurately predict bond dissociation energies of oxygenated hydrocarbons

    NASA Astrophysics Data System (ADS)

    Oyeyemi, Victor B.; Krisiloff, David B.; Keith, John A.; Libisch, Florian; Pavone, Michele; Carter, Emily A.

    2014-01-01

    Oxygenated hydrocarbons play important roles in combustion science as renewable fuels and additives, but many details about their combustion chemistry remain poorly understood. Although many methods exist for computing accurate electronic energies of molecules at equilibrium geometries, a consistent description of entire combustion reaction potential energy surfaces (PESs) requires multireference correlated wavefunction theories. Here we use bond dissociation energies (BDEs) as a foundational metric to benchmark methods based on multireference configuration interaction (MRCI) for several classes of oxygenated compounds (alcohols, aldehydes, carboxylic acids, and methyl esters). We compare results from multireference singles and doubles configuration interaction to those utilizing a posteriori and a priori size-extensivity corrections, benchmarked against experiment and coupled cluster theory. We demonstrate that size-extensivity corrections are necessary for chemically accurate BDE predictions even in relatively small molecules and furnish examples of unphysical BDE predictions resulting from using too-small orbital active spaces. We also outline the specific challenges in using MRCI methods for carbonyl-containing compounds. The resulting complete basis set extrapolated, size-extensivity-corrected MRCI scheme produces BDEs generally accurate to within 1 kcal/mol, laying the foundation for this scheme's use on larger molecules and for more complex regions of combustion PESs.

  15. Metal-insulator transition in a weakly interacting disordered electron system

    NASA Astrophysics Data System (ADS)

    Ekuma, C. E.; Yang, S.-X.; Terletska, H.; Tam, K.-M.; Vidhyadhiraja, N. S.; Moreno, J.; Jarrell, M.

    2015-11-01

    The interplay of interactions and disorder is studied using the Anderson-Hubbard model within the typical medium dynamical cluster approximation. Treating the interacting, nonlocal cluster self-energy [Σc[G ˜] (i ,j ≠i ) ] up to second order in the perturbation expansion of interactions, U2, with a systematic incorporation of nonlocal spatial correlations and diagonal disorder, we explore the initial effects of electron interactions (U ) in three dimensions. We find that the critical disorder strength (WcU), required to localize all states, increases with increasing U ; implying that the metallic phase is stabilized by interactions. Using our results, we predict a soft pseudogap at the intermediate W close to WcU and demonstrate that the mobility edge (ωɛ) is preserved as long as the chemical potential, μ , is at or beyond the mobility edge energy.

  16. Weak antilocalization and interaction-induced localization of Dirac and Weyl Fermions in topological insulators and semimetals

    NASA Astrophysics Data System (ADS)

    Lu, Hai-Zhou; Shen, Shun-Qing

    2016-11-01

    Weak localization and antilocalization are quantum transport phenomena that arise from the quantum interference in disordered metals. At low temperatures, they can give distinct temperature and magnetic field dependences in conductivity, allowing the symmetry of the system to be explored. In the past few years, they have also been observed in newly emergent topological materials, including topological insulators and topological semimetals. In contrast from the conventional electrons, in these new materials the quasiparticles are described as Dirac or Weyl fermions. In this article, we review our recent efforts on the theories of weak antilocalization and interaction-induced localization for Dirac and Weyl fermions in topological insulators and topological semimetals. Project supported by the National Key R & D Program, China (Grant No. 2016YFA0301700), the Research Grant Council, University Grants Committee, Hong Kong, China (Grant No. 17303714), the National Natural Science Foundation of China (Grant No. 11574127), and the National Thousand-Young-Talents Program of China.

  17. Weak localization and phase interference due to spin-orbit interaction in metal-doped carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Haruyama, Junji; Takesue, Izumi; Hasegawa, Tetsuro

    2002-01-01

    Electrode atoms are slightly diffused, with only about 5% volume ratio, into the top end of multiwalled carbon nanotubes (MWNT's), standing in nanopores of porous alumina membranes. Diffusion of light-mass materials (carbon and aluminum) leads to weak localization in the Altshuler-Aronov-Spivak (AAS) oscillations, which is qualitatively consistent with previous works on MWNT's. In contrast, we find that diffusion of heavy materials (gold and platinum) changes this weak localization into an antilocalization in the MWNT bulk. This effect is only observable when electrons are injected through the diffusion region and undergo a π-phase shift in their electron waves, caused by polarized injection of spin-flipped electrons due to spin-orbit interaction in the diffusion region of the MWNT bulk.

  18. Linear and weakly nonlinear aspects of free shear layer instability, roll-up, subharmonic interaction and wall influence

    NASA Technical Reports Server (NTRS)

    Cain, A. B.; Thompson, M. W.

    1986-01-01

    The growth of the momentum thickness and the modal disturbance energies are examined to study the nature and onset of nonlinearity in a temporally growing free shear layer. A shooting technique is used to find solutions to the linearized eigenvalue problem, and pseudospectral weakly nonlinear simulations of this flow are obtained for comparison. The roll-up of a fundamental disturbance follows linear theory predictions even with a 20 percent disturbance amplitude. A weak nonlinear interaction of the disturbance creates a finite-amplitude mean shear stress which dominates the growth of the layer momentum thickness, and the disturbance growth rate changes until the fundamental disturbance dominates. The fundamental then becomes an energy source for the harmonic, resulting in an increase in the growth rate of the subharmonic over the linear prediction even when the fundamental has no energy to give. Also considered are phase relations and the wall influence.

  19. A Spectroscopic and Theoretical Study of Weak Intramolecular OH\\cdots π Interactions in Allyl Carbinol and Methallyl Carbinol

    NASA Astrophysics Data System (ADS)

    Schroeder, Sidsel D.; Mackeprang, Kasper; Kjaergaard, Henrik G.

    2013-06-01

    The weak intramolecular OH\\cdots π interactions in allyl carbinol and methallyl carbinol have been studied using a combination of NIR spectroscopy and theory. The third OH-stretching overtone region of vapor phase allyl carbinol and methallyl carbinol have been recorded with intracavity laser photoacoustic spectroscopy to study the effect of an enhanced OH\\cdots π interaction in methallyl carbinol arising from the electron donating methyl group. Local mode calculations were employed to assign the observed bands. The OH-stretching transition frequency of methallyl carbinol was observed to be red shifted relative to the OH-stretching transition frequency of allyl carbinol. A red shift of the transition frequency is in this context normally interpreted as a signature of hydrogen bonding. Whether the OH\\cdots π interaction can be categorized as a hydrogen bond will be discussed in this talk.

  20. Weakly pulse-coupled oscillators, FM interactions, synchronization, and oscillatory associative memory.

    PubMed

    Izhikevich, E M

    1999-01-01

    We study pulse-coupled neural networks that satisfy only two assumptions: each isolated neuron fires periodically, and the neurons are weakly connected. Each such network can be transformed by a piece-wise continuous change of variables into a phase model, whose synchronization behavior and oscillatory associative properties are easier to analyze and understand. Using the phase model, we can predict whether a given pulse-coupled network has oscillatory associative memory, or what minimal adjustments should be made so that it can acquire memory. In the search for such minimal adjustments we obtain a large class of simple pulse-coupled neural networks that can memorize and reproduce synchronized temporal patterns the same way a Hopfield network does with static patterns. The learning occurs via modification of synaptic weights and/or synaptic transmission delays.

  1. Vlasov simulations of plasma-wall interactions in a magnetized and weakly collisional plasma

    SciTech Connect

    Devaux, S.; Manfredi, G.

    2006-08-15

    A Vlasov code is used to model the transition region between an equilibrium plasma and an absorbing wall in the presence of a tilted magnetic field, for the case of a weakly collisional plasma ({lambda}{sub mfp}>>{rho}{sub i}, where {lambda}{sub mfp} is the ion-neutral mean-free path and {rho}{sub i} is the ion Larmor radius). The phase space structure of the plasma-wall transition is analyzed in detail and theoretical estimates of the magnetic presheath width are tested numerically. It is shown that the distribution near the wall is far from Maxwellian, so that temperature measurements should be interpreted with care. Particular attention is devoted to the angular distribution of ions impinging on the wall, which is an important parameter to determine the level of wall erosion and sputtering.

  2. Investigation of allosteric modulation mechanism of metabotropic glutamate receptor 1 by molecular dynamics simulations, free energy and weak interaction analysis

    PubMed Central

    Bai, Qifeng; Yao, Xiaojun

    2016-01-01

    Metabotropic glutamate receptor 1 (mGlu1), which belongs to class C G protein-coupled receptors (GPCRs), can be coupled with G protein to transfer extracellular signal by dimerization and allosteric regulation. Unraveling the dimer packing and allosteric mechanism can be of great help for understanding specific regulatory mechanism and designing more potential negative allosteric modulator (NAM). Here, we report molecular dynamics simulation studies of the modulation mechanism of FITM on the wild type, T815M and Y805A mutants of mGlu1 through weak interaction analysis and free energy calculation. The weak interaction analysis demonstrates that van der Waals (vdW) and hydrogen bonding play an important role on the dimer packing between six cholesterol molecules and mGlu1 as well as the interaction between allosteric sites T815, Y805 and FITM in wild type, T815M and Y805A mutants of mGlu1. Besides, the results of free energy calculations indicate that secondary binding pocket is mainly formed by the residues Thr748, Cys746, Lys811 and Ser735 except for FITM-bound pocket in crystal structure. Our results can not only reveal the dimer packing and allosteric regulation mechanism, but also can supply useful information for the design of potential NAM of mGlu1. PMID:26887338

  3. An experiment to verify that the weak interactions satisfy the strong equivalence principle. [electron capture and gravitational potential

    NASA Technical Reports Server (NTRS)

    Eby, P. B.

    1978-01-01

    The construction of a clock based on the beta decay process is proposed to test for any violations by the weak interaction of the strong equivalence principle bu determining whether the weak interaction coupling constant beta is spatially constant or whether it is a function of gravitational potential (U). The clock can be constructed by simply counting the beta disintegrations of some suitable source. The total number of counts are to be taken a measure of elapsed time. The accuracy of the clock is limited by the statistical fluctuations in the number of counts, N, which is equal to the square root of N. Increasing N gives a corresponding increase in accuracy. A source based on the electron capture process can be used so as to avoid low energy electron discrimination problems. Solid state and gaseous detectors are being considered. While the accuracy of this type of beta decay clock is much less than clocks based on the electromagnetic interaction, there is a corresponding lack of knowledge of the behavior of beta as a function of gravitational potential. No predictions from nonmetric theories as to variations in beta are available as yet, but they may occur at the U/sg C level.

  4. Investigation of allosteric modulation mechanism of metabotropic glutamate receptor 1 by molecular dynamics simulations, free energy and weak interaction analysis

    NASA Astrophysics Data System (ADS)

    Bai, Qifeng; Yao, Xiaojun

    2016-02-01

    Metabotropic glutamate receptor 1 (mGlu1), which belongs to class C G protein-coupled receptors (GPCRs), can be coupled with G protein to transfer extracellular signal by dimerization and allosteric regulation. Unraveling the dimer packing and allosteric mechanism can be of great help for understanding specific regulatory mechanism and designing more potential negative allosteric modulator (NAM). Here, we report molecular dynamics simulation studies of the modulation mechanism of FITM on the wild type, T815M and Y805A mutants of mGlu1 through weak interaction analysis and free energy calculation. The weak interaction analysis demonstrates that van der Waals (vdW) and hydrogen bonding play an important role on the dimer packing between six cholesterol molecules and mGlu1 as well as the interaction between allosteric sites T815, Y805 and FITM in wild type, T815M and Y805A mutants of mGlu1. Besides, the results of free energy calculations indicate that secondary binding pocket is mainly formed by the residues Thr748, Cys746, Lys811 and Ser735 except for FITM-bound pocket in crystal structure. Our results can not only reveal the dimer packing and allosteric regulation mechanism, but also can supply useful information for the design of potential NAM of mGlu1.

  5. An accurate H2-H2 interaction potential from first principles

    NASA Astrophysics Data System (ADS)

    Diep, Phong; Johnson, J. Karl

    2000-03-01

    We have calculated the potential energy surface extrapolated to the complete basis set limit using coupled-cluster theory with singles, doubles, and perturbational triples excitations [CCSD(T)] for the rigid monomer model of (H2)2. There is significant anisotropy among the 37 unique angular configurations selected to represent the surface. A four term spherical harmonics expansion model was chosen to fit the surface. The calculated potential energy surface reproduces the quadrupole moment to within 0.58% and the experimental well depth to within 1%. The second virial coefficient has been computed from the fitted potential energy surface. The usual semiclassical treatment of quantum mechanical effects on the second virial coefficient was applied in the temperature range of 100-500 K. We have developed a new technique for computing the quantum second virial coefficient by combining Feynman's path integral formalism and Monte Carlo integration. The calculated virial coefficient compares very well with published experimental measurements. Integral elastic cross sections were calculated for the scattering of para-H2/para-H2 by use of the close-coupling method. The interaction potential model from this work is able to reproduce the experimental cross sections in the relative kinetic velocity range of 900-2300 m/s.

  6. Quantitative analysis of weak interactions by Lattice energy calculation, Hirshfeld surface and DFT studies of sulfamonomethoxine

    NASA Astrophysics Data System (ADS)

    Patel, Kinjal D.; Patel, Urmila H.

    2017-01-01

    Sulfamonomethoxine, 4-Amino-N-(6-methoxy-4-pyrimidinyl) benzenesulfonamide (C11H12N4O3S), is investigated by single crystal X-ray diffraction technique. Pair of N-H⋯N and C-H⋯O intermolecular interactions along with π···π interaction are responsible for the stability of the molecular packing of the structure. In order to understand the nature of the interactions and their quantitative contributions towards the crystal packing, the 3D Hirshfeld surface and 2D fingerprint plot analysis are carried out. PIXEL calculations are performed to determine the lattice energies correspond to intermolecular interactions in the crystal structure. Ab initio quantum chemical calculations of sulfamonomethoxine (SMM) have been performed by B3LYP method, using 6-31G** basis set with the help of Schrodinger software. The computed geometrical parameters are in good agreement with the experimental data. The Mulliken charge distribution, calculated using B3LYP method to confirm the presence of electron acceptor and electron donor atoms, responsible for intermolecular hydrogen bond interactions hence the molecular stability.

  7. New results from the search for low-mass weakly interacting massive particles with the CDMS low ionization threshold experiment

    SciTech Connect

    Agnese, R.

    2016-02-17

    The CDMS low ionization threshold experiment (CDMSlite) uses cryogenic germanium detectors operated at a relatively high bias voltage to amplify the phonon signal in the search for weakly interacting massive particles (WIMPs). Our results are presented from the second CDMSlite run with an exposure of 70 kg days, which reached an energy threshold for electron recoils as low as 56 eV. Furthermore, a fiducialization cut reduces backgrounds below those previously reported by CDMSlite. Lastly, new parameter space for the WIMP-nucleon spin-independent cross section is excluded forWIMP masses between 1.6 and 5.5 GeV/c2.

  8. New results from the search for low-mass weakly interacting massive particles with the CDMS low ionization threshold experiment

    DOE PAGES

    Agnese, R.

    2016-02-17

    The CDMS low ionization threshold experiment (CDMSlite) uses cryogenic germanium detectors operated at a relatively high bias voltage to amplify the phonon signal in the search for weakly interacting massive particles (WIMPs). Our results are presented from the second CDMSlite run with an exposure of 70 kg days, which reached an energy threshold for electron recoils as low as 56 eV. Furthermore, a fiducialization cut reduces backgrounds below those previously reported by CDMSlite. Lastly, new parameter space for the WIMP-nucleon spin-independent cross section is excluded forWIMP masses between 1.6 and 5.5 GeV/c2.

  9. Interaction of weak discontinuities and the hodograph method as applied to electric field fractionation of a two-component mixture

    NASA Astrophysics Data System (ADS)

    Elaeva, M. S.; Zhukov, M. Yu.; Shiryaeva, E. V.

    2016-08-01

    The hodograph method is used to construct a solution describing the interaction of weak discontinuities (rarefaction waves) for the problem of mass transfer by an electric field (zonal electrophoresis). Mathematically, the problem is reduced to the study of a system of two first-order quasilinear hyperbolic partial differential equations with data on characteristics (Goursat problem). The solution is constructed analytically in the form of implicit relations. An efficient numerical algorithm is described that reduces the system of quasilinear partial differential equations to ordinary differential equations. For the zonal electrophoresis equations, the Riemann problem with initial discontinuities specified at two different spatial points is completely solved.

  10. Accurate description of intermolecular interactions involving ions using symmetry-adapted perturbation theory.

    PubMed

    Lao, Ka Un; Schäffer, Rainer; Jansen, Georg; Herbert, John M

    2015-06-09

    Three new data sets for intermolecular interactions, AHB21 for anion-neutral dimers, CHB6 for cation-neutral dimers, and IL16 for ion pairs, are assembled here, with complete-basis CCSD(T) results for each. These benchmarks are then used to evaluate the accuracy of the single-exchange approximation that is used for exchange energies in symmetry-adapted perturbation theory (SAPT), and the accuracy of SAPT based on wave function and density-functional descriptions of the monomers is evaluated. High-level SAPT calculations afford poor results for these data sets, and this includes the recently proposed "gold", "silver", and "bronze standards" of SAPT, namely, SAPT2+(3)-δMP2/aug-cc-pVTZ, SAPT2+/aug-cc-pVDZ, and sSAPT0/jun-cc-pVDZ, respectively [ Parker , T. M. , et al. , J. Chem. Phys. 2014 , 140 , 094106 ]. Especially poor results are obtained for symmetric shared-proton systems of the form X(-)···H(+)···X(-), for X = F, Cl, or OH. For the anionic data set, the SAPT2+(CCD)-δMP2/aug-cc-pVTZ method exhibits the best performance, with a mean absolute error (MAE) of 0.3 kcal/mol and a maximum error of 0.7 kcal/mol. For the cationic data set, the highest-level SAPT method, SAPT2+3-δMP2/aug-cc-pVQZ, outperforms the rest of the SAPT methods, with a MAE of 0.2 kcal/mol and a maximum error of 0.4 kcal/mol. For the ion-pair data set, the SAPT2+3-δMP2/aug-cc-pVTZ performs the best among all SAPT methods with a MAE of 0.3 kcal/mol and a maximum error of 0.9 kcal/mol. Overall, SAPT2+3-δMP2/aug-cc-pVTZ affords a small and balanced MAE (<0.5 kcal/mol) for all three data sets, with an overall MAE of 0.4 kcal/mol. Despite the breakdown of perturbation theory for ionic systems at short-range, SAPT can still be saved given two corrections: a "δHF" correction, which requires a supermolecular Hartree-Fock calculation to incorporate polarization effects beyond second order, and a "δMP2" correction, which requires a supermolecular MP2 calculation to account for higher

  11. Characterization of a novel weak interaction between MUC1 and Src-SH3 using nuclear magnetic resonance spectroscopy

    SciTech Connect

    Gunasekara, Nirosha; Sykes, Brian; Hugh, Judith

    2012-05-18

    Highlights: Black-Right-Pointing-Pointer MUC1 binds the Src-SH3 domain potentially triggering Src dependent cell migration. Black-Right-Pointing-Pointer NMR Spectroscopy was used to monitor MUC1-CD and Src SH3 domain titrations. Black-Right-Pointing-Pointer MUC1-CD peptides bind with a low affinity (K{sub d} of 2-3 mM) to a non-canonical site. Black-Right-Pointing-Pointer Weak interactions may mediate dynamic processes like migration. Black-Right-Pointing-Pointer The MUC1-CD and Src-SH3 interaction may be a prime target to inhibit cell migration. -- Abstract: Breast cancer causes death through cancer cell migration and subsequent metastasis to distant organs. In vitro, the MUC1 mucin can mediate breast cancer cell migration by binding to intercellular adhesion molecule-1 (ICAM-1). This migration is dependent on MUC1 cytoplasmic domain (MUC1-CD) activation of the non-receptor tyrosine kinase, Src, possibly through competitive displacement of an inhibitory Src intramolecular SH3 binding. Therefore, we characterized the binding site and affinity of the MUC1-CD for Src-SH3 using multidimensional nuclear magnetic resonance (NMR) spectroscopy to monitor the titration of the {sup 15}N labeled Src-SH3 domain with synthetic native and mutant peptides of MUC1-CD. The results revealed that the dissociation constant (K{sub d}) for the interaction of the native MUC1-CD peptides and Src-SH3 domain was weak with a K{sub d} of 2-3 mM. Notably, the SH3 residues most perturbed upon peptide binding were located outside the usual hydrophobic binding cleft in a previously described alternate binding site on the Src-SH3, suggesting that MUC1-CD binds to a non-canonical site. The binding characteristics outlined here suggest that the interaction between Src-SH3 and MUC1-CD represents a novel weak electrostatic interaction of the type which is increasingly recognized as important in transient and dynamic protein complexes required for cell migration and signal transduction. As such, this

  12. Calculation of weak protein-protein interactions: the pH dependence of the second virial coefficient.

    PubMed

    Elcock, A H; McCammon, J A

    2001-02-01

    Interactions between proteins are often sufficiently weak that their study through the use of conventional structural techniques becomes problematic. Of the few techniques capable of providing experimental measures of weak protein-protein interactions, perhaps the most useful is the second virial coefficient, B(22), which quantifies a protein solution's deviations from ideal behavior. It has long been known that B(22) can in principle be computed, but only very recently has it been demonstrated that such calculations can be performed using protein models of true atomic detail (Biophys. J. 1998, 75:2469-2477). The work reported here extends these previous efforts in an attempt to develop a transferable energetic model capable of reproducing the experimental trends obtained for two different proteins over a range of pH and ionic strengths. We describe protein-protein interaction energies by a combination of three separate terms: (i) an electrostatic interaction term based on the use of effective charges, (ii) a term describing the electrostatic desolvation that occurs when charged groups are buried by an approaching protein partner, and (iii) a solvent-accessible surface area term that is used to describe contributions from van der Waals and hydrophobic interactions. The magnitude of the third term is governed by an adjustable, empirical parameter, gamma, that is altered to optimize agreement between calculated and experimental values of B(22). The model is applied separately to the proteins lysozyme and chymotrypsinogen, yielding optimal values of gamma that are almost identical. There are, however, clear difficulties in reproducing B(22) values at the extremes of pH. Explicit calculation of the protonation states of ionizable amino acids in the 200 most energetically favorable protein-protein structures suggest that these difficulties are due to a neglect of the protonation state changes that can accompany complexation. Proper reproduction of the pH dependence of B

  13. Identifying two regimes of slip of simple fluids over smooth surfaces with weak and strong wall-fluid interaction energies

    NASA Astrophysics Data System (ADS)

    Hu, Haibao; Bao, Luyao; Priezjev, Nikolai V.; Luo, Kai

    2017-01-01

    The slip behavior of simple fluids over atomically smooth surfaces was investigated in a wide range of wall-fluid interaction (WFI) energies at low shear rates using non-equilibrium molecular dynamics simulations. The relationship between slip and WFI shows two regimes (the strong-WFI and weak-WFI regimes): as WFI decreases, the slip length increases in the strong-WFI regime and decreases in the weak-WFI regime. The critical value of WFI energy that separates these regimes increases with temperature, but it remains unaffected by the driving force. The mechanism of slip was analyzed by examining the density-weighted average energy barrier ( Δ E ¯ ) encountered by fluid atoms in the first fluid layer (FFL) during their hopping between minima of the surface potential. We demonstrated that the relationship between slip and WFI can be rationalized by considering the effect of the fluid density distribution in the FFL on Δ E ¯ as a function of the WFI energy. Moreover, the dependence of the slip length on WFI and temperature is well correlated with the exponential factor exp ( - Δ E ¯ / ( k B T ) ) , which also determines the critical value of WFI between the strong-WFI and weak-WFI regimes.

  14. Significance of weak interactions in imidazolium picrate ionic liquids: spectroscopic and theoretical studies for molecular level understanding.

    PubMed

    Panja, Sumit Kumar; Dwivedi, Nidhi; Noothalapati, Hemanth; Shigeto, Shinsuke; Sikder, A K; Saha, Abhijit; Sunkari, Sailaja S; Saha, Satyen

    2015-07-21

    The effects of interionic hydrogen bonding and π-π stacking interactions on the physical properties of a new series of picrate anion based ionic liquids (ILs) have been investigated experimentally and theoretically. The existence of aromatic (C2-HO) and aliphatic (C7-HO-N22 and C6-HO-N20) hydrogen bonding and π-π stacking interactions in these ILs has been observed using various spectroscopic techniques. The aromatic and aliphatic C-HO hydrogen bonding interactions are found to have a crucial role in binding the imidazolium cation and picrate anion together. However, the π-π stacking interactions between two successive layers are found to play a decisive role in tight packing in ILs leading to differences in physical properties. The drastic difference in the melting points of the methyl and propyl derivatives (mmimPic and pmimPic respectively) have been found to be primarily due to the difference in the strength and varieties of π-π stacking interactions. While in mmimPic, several different types of π-π stacking interactions between the aromatic rings (such as picrate-picrate, picrate-imidazole and imidazolium-imidazolium cation rings) are observed, only one type of π-π stacking interaction (picrate-picrate rings) is found to exist in the pmimPic IL. NMR spectroscopic studies reveal that the interaction of these ILs with solvent molecules is different and depends on the dielectric constant of the solvent. While an ion solvation model explains the solvation in high dielectric solvents, an ion-pair solvation model is found to be more appropriate for low dielectric constant solvents. The enhanced stability of these investigated picrate ILs compared with that of inorganic picrate salts under high doses of γ radiation clearly indicates the importance of weak interionic interactions in ILs, and also opens up the possibility of the application of picrate ILs as prospective diluents in nuclear separation for advanced fuel cycling process.

  15. Generation of Accurate Lateral Boundary Conditions for a Surface-Water Groundwater Interaction Model

    NASA Astrophysics Data System (ADS)

    Khambhammettu, P.; Tsou, M.; Panday, S. M.; Kool, J.; Wei, X.

    2010-12-01

    groundwater pumping / recharge in the SDM and adds the kriged residual surface as variations back to the trend. The variations could be from the scale effects of grid resolution and from the temporal averaging of stresses (pumping, recharge, etc.,). The validity of the approach is demonstrated by visual and statistical comparison of the observed and simulated heads before and after correction. For predictive simulations, an Artificial Neural Network was trained to predict heads at monitoring wells based on precipitation and pumping. These predicted head values could then be used as surrogate observations for correcting the results of the regional SDM. In summary, an appropriate approach to link a regional groundwater model to a detailed surface-water groundwater interaction model is demonstrated with an example.

  16. Mitotic Protein CSPP1 Interacts with CENP-H Protein to Coordinate Accurate Chromosome Oscillation in Mitosis*

    PubMed Central

    Zhu, Lijuan; Wang, Zhikai; Wang, Wenwen; Wang, Chunli; Hua, Shasha; Su, Zeqi; Brako, Larry; Garcia-Barrio, Minerva; Ye, Mingliang; Wei, Xuan; Zou, Hanfa; Ding, Xia; Liu, Lifang; Liu, Xing; Yao, Xuebiao

    2015-01-01

    Mitotic chromosome segregation is orchestrated by the dynamic interaction of spindle microtubules with the kinetochores. During chromosome alignment, kinetochore-bound microtubules undergo dynamic cycles between growth and shrinkage, leading to an oscillatory movement of chromosomes along the spindle axis. Although kinetochore protein CENP-H serves as a molecular control of kinetochore-microtubule dynamics, the mechanistic link between CENP-H and kinetochore microtubules (kMT) has remained less characterized. Here, we show that CSPP1 is a kinetochore protein essential for accurate chromosome movements in mitosis. CSPP1 binds to CENP-H in vitro and in vivo. Suppression of CSPP1 perturbs proper mitotic progression and compromises the satisfaction of spindle assembly checkpoint. In addition, chromosome oscillation is greatly attenuated in CSPP1-depleted cells, similar to what was observed in the CENP-H-depleted cells. Importantly, CSPP1 depletion enhances velocity of kinetochore movement, and overexpression of CSPP1 decreases the speed, suggesting that CSPP1 promotes kMT stability during cell division. Specific perturbation of CENP-H/CSPP1 interaction using a membrane-permeable competing peptide resulted in a transient mitotic arrest and chromosome segregation defect. Based on these findings, we propose that CSPP1 cooperates with CENP-H on kinetochores to serve as a novel regulator of kMT dynamics for accurate chromosome segregation. PMID:26378239

  17. Mitotic Protein CSPP1 Interacts with CENP-H Protein to Coordinate Accurate Chromosome Oscillation in Mitosis.

    PubMed

    Zhu, Lijuan; Wang, Zhikai; Wang, Wenwen; Wang, Chunli; Hua, Shasha; Su, Zeqi; Brako, Larry; Garcia-Barrio, Minerva; Ye, Mingliang; Wei, Xuan; Zou, Hanfa; Ding, Xia; Liu, Lifang; Liu, Xing; Yao, Xuebiao

    2015-11-06

    Mitotic chromosome segregation is orchestrated by the dynamic interaction of spindle microtubules with the kinetochores. During chromosome alignment, kinetochore-bound microtubules undergo dynamic cycles between growth and shrinkage, leading to an oscillatory movement of chromosomes along the spindle axis. Although kinetochore protein CENP-H serves as a molecular control of kinetochore-microtubule dynamics, the mechanistic link between CENP-H and kinetochore microtubules (kMT) has remained less characterized. Here, we show that CSPP1 is a kinetochore protein essential for accurate chromosome movements in mitosis. CSPP1 binds to CENP-H in vitro and in vivo. Suppression of CSPP1 perturbs proper mitotic progression and compromises the satisfaction of spindle assembly checkpoint. In addition, chromosome oscillation is greatly attenuated in CSPP1-depleted cells, similar to what was observed in the CENP-H-depleted cells. Importantly, CSPP1 depletion enhances velocity of kinetochore movement, and overexpression of CSPP1 decreases the speed, suggesting that CSPP1 promotes kMT stability during cell division. Specific perturbation of CENP-H/CSPP1 interaction using a membrane-permeable competing peptide resulted in a transient mitotic arrest and chromosome segregation defect. Based on these findings, we propose that CSPP1 cooperates with CENP-H on kinetochores to serve as a novel regulator of kMT dynamics for accurate chromosome segregation.

  18. Anisotropy of the magnetoviscous effect in a ferrofluid with weakly interacting magnetite nanoparticles.

    PubMed

    Linke, J M; Odenbach, S

    2015-05-08

    The anisotropy of the magnetoviscous effect of a ferrofluid has been studied in a specially designed slit die viscometer, which allows three distinct orientations of the magnetic field with respect to the fluid flow. The corresponding Miesowicz viscosity coefficients were determined in dependence of the shear rate and the magnetic field intensity to gain a comprehensive magnetorheological characterization of the fluid. The particles in the fluid have a mean diameter of 13 nm corresponding to an interaction parameter of λ ≈ 1.3 for magnetite. Thus, the fluid can be expected to show a transition from non-interacting individual particles to microstructures with chain-like associated particles when the magnetic field intensity is increased and the shear rate is decreased. The observed field and shear dependent anisotropy of the magnetoviscous effect is explained coherently in terms of these microstructural changes in the fluid.

  19. Weak-field ELF magnetic interactions: Implications for biological change during paleomagnetic reversals.

    PubMed

    Liboff, Abraham R

    2013-12-01

    Contrary to the belief that paleomagnetic reversals are not biologically significant, we find good reason to think otherwise. Attention is drawn to polarity transitions, time intervals a few thousand years long that follow the collapse of the existing geomagnetic dipole moment and precede the establishment of the new, oppositely directed moment. The geomagnetic field during transitions is reduced to a maximal mean intensity about 10% of the stable field and can exhibit low-frequency perturbations comparable to numerous laboratory-based extremely low frequency (ELF) studies reporting biological interactions, making it very likely that similar interactions must occur over the course of a polarity transition. This conclusion is strengthened by reports of medical problems that significantly correlate with intense solar winds, events that also generate ELF perturbations similar to those that can occur during polarity transitions.

  20. Parametric Acoustic Array Formation Via Weak Collinear and Noncollinear INteraction in Diepersive Fluids.

    DTIC Science & Technology

    1983-06-01

    L. Kuntz, and Messrs. J. A. TenCate , Y. II. Berthelot, and D. A. Nelson. Typing was performed primarily by Miss Rebecca G. Messer, with final...becomes extremely *0 123 S OS 59 inefficient. Recently, TenCate reported results for wave interaction L in a rectangular waveguide which indisputably...is uncertain. Experimental results which support the angular dependence of the second term in Equation (5.16) have been reported 59 recently by TenCate

  1. Evaluating interaction energies of weakly bonded systems using the Buckingham-Hirshfeld method

    SciTech Connect

    Krishtal, A.; Van Alsenoy, C.; Geerlings, P.

    2014-05-14

    We present the finalized Buckingham-Hirshfeld method (BHD-DFT) for the evaluation of interaction energies of non-bonded dimers with Density Functional Theory (DFT). In the method, dispersion energies are evaluated from static multipole polarizabilities, obtained on-the-fly from Coupled Perturbed Kohn-Sham calculations and partitioned into diatomic contributions using the iterative Hirshfeld partitioning method. The dispersion energy expression is distributed over four atoms and has therefore a higher delocalized character compared to the standard pairwise expressions. Additionally, full multipolar polarizability tensors are used as opposed to effective polarizabilities, allowing to retain the anisotropic character at no additional computational cost. A density dependent damping function for the BLYP, PBE, BP86, B3LYP, and PBE0 functionals has been implemented, containing two global parameters which were fitted to interaction energies and geometries of a selected number of dimers using a bi-variate RMS fit. The method is benchmarked against the S22 and S66 data sets for equilibrium geometries and the S22x5 and S66x8 data sets for interaction energies around the equilibrium geometry. Best results are achieved using the B3LYP functional with mean average deviation values of 0.30 and 0.24 kcal/mol for the S22 and S66 data sets, respectively. This situates the BHD-DFT method among the best performing dispersion inclusive DFT methods. Effect of counterpoise correction on DFT energies is discussed.

  2. Spectral function in electro-weak interactions and its impact on neutrino oscillation experiments

    SciTech Connect

    Jen, C.-M.

    2015-10-15

    Neutrino oscillation experiments have entered the high-precision era in the last few years. The oscillation parameters, as a measure of the neutrino properties, are extracted from the energy-dependent oscillation probability function. Different types of nuclear dynamics deeply influence the determination of neutrino energies in neutrino oscillation experiments. As a consequence, a comprehensive understanding of various nuclear dynamics interprets the scenario behind the neutrino interaction with nucleus and nuclei. The initial ground-state structure of the target nucleus is categorized in one typical nuclear dynamics, and its realistic description is generally referred as the spectral function (SF). Implementing the SF for each target nucleus into the GENIE neutrino event generator is the preliminary step necessary to obtain a reliable determination of the kinematics of all detectable final-products from neutrino interactions. At the intermedium-range of neutrino energies (∼ 1 GeV), the kinematic energy reconstruction is the vastly used approach and consists in identifying final-products as coming from the charged-current quasi-elastic-like (CCQE-like) neutrino interactions.

  3. Accurate prediction of polarised high order electrostatic interactions for hydrogen bonded complexes using the machine learning method kriging

    NASA Astrophysics Data System (ADS)

    Hughes, Timothy J.; Kandathil, Shaun M.; Popelier, Paul L. A.

    2015-02-01

    As intermolecular interactions such as the hydrogen bond are electrostatic in origin, rigorous treatment of this term within force field methodologies should be mandatory. We present a method able of accurately reproducing such interactions for seven van der Waals complexes. It uses atomic multipole moments up to hexadecupole moment mapped to the positions of the nuclear coordinates by the machine learning method kriging. Models were built at three levels of theory: HF/6-31G**, B3LYP/aug-cc-pVDZ and M06-2X/aug-cc-pVDZ. The quality of the kriging models was measured by their ability to predict the electrostatic interaction energy between atoms in external test examples for which the true energies are known. At all levels of theory, >90% of test cases for small van der Waals complexes were predicted within 1 kJ mol-1, decreasing to 60-70% of test cases for larger base pair complexes. Models built on moments obtained at B3LYP and M06-2X level generally outperformed those at HF level. For all systems the individual interactions were predicted with a mean unsigned error of less than 1 kJ mol-1.

  4. Accurate prediction of polarised high order electrostatic interactions for hydrogen bonded complexes using the machine learning method kriging.

    PubMed

    Hughes, Timothy J; Kandathil, Shaun M; Popelier, Paul L A

    2015-02-05

    As intermolecular interactions such as the hydrogen bond are electrostatic in origin, rigorous treatment of this term within force field methodologies should be mandatory. We present a method able of accurately reproducing such interactions for seven van der Waals complexes. It uses atomic multipole moments up to hexadecupole moment mapped to the positions of the nuclear coordinates by the machine learning method kriging. Models were built at three levels of theory: HF/6-31G(**), B3LYP/aug-cc-pVDZ and M06-2X/aug-cc-pVDZ. The quality of the kriging models was measured by their ability to predict the electrostatic interaction energy between atoms in external test examples for which the true energies are known. At all levels of theory, >90% of test cases for small van der Waals complexes were predicted within 1 kJ mol(-1), decreasing to 60-70% of test cases for larger base pair complexes. Models built on moments obtained at B3LYP and M06-2X level generally outperformed those at HF level. For all systems the individual interactions were predicted with a mean unsigned error of less than 1 kJ mol(-1).

  5. Network Biomarkers Constructed from Gene Expression and Protein-Protein Interaction Data for Accurate Prediction of Leukemia

    PubMed Central

    Yuan, Xuye; Chen, Jiajia; Lin, Yuxin; Li, Yin; Xu, Lihua; Chen, Luonan; Hua, Haiying; Shen, Bairong

    2017-01-01

    Leukemia is a leading cause of cancer deaths in the developed countries. Great efforts have been undertaken in search of diagnostic biomarkers of leukemia. However, leukemia is highly complex and heterogeneous, involving interaction among multiple molecular components. Individual molecules are not necessarily sensitive diagnostic indicators. Network biomarkers are considered to outperform individual molecules in disease characterization. We applied an integrative approach that identifies active network modules as putative biomarkers for leukemia diagnosis. We first reconstructed the leukemia-specific PPI network using protein-protein interactions from the Protein Interaction Network Analysis (PINA) and protein annotations from GeneGo. The network was further integrated with gene expression profiles to identify active modules with leukemia relevance. Finally, the candidate network-based biomarker was evaluated for the diagnosing performance. A network of 97 genes and 400 interactions was identified for accurate diagnosis of leukemia. Functional enrichment analysis revealed that the network biomarkers were enriched in pathways in cancer. The network biomarkers could discriminate leukemia samples from the normal controls more effectively than the known biomarkers. The network biomarkers provide a useful tool to diagnose leukemia and also aids in further understanding the molecular basis of leukemia. PMID:28243332

  6. Intrinsic spin-orbit interaction in diffusive normal wire Josephson weak links: Supercurrent and density of states

    NASA Astrophysics Data System (ADS)

    Arjoranta, Juho; Heikkilä, Tero T.

    2016-01-01

    We study the effect of the intrinsic (Rashba or Dresselhaus) spin-orbit interaction in superconductor-nanowire-superconductor (SNS) weak links in the presence of a spin-splitting field that can result either from an intrinsic exchange field or the Zeeman effect of an applied field. We solve the full nonlinear Usadel equations numerically [The code used for calculating the results in this paper is available in https://github.com/wompo/Usadel-for-nanowires] and analyze the resulting supercurrent through the weak link and the behavior of the density of states in the center of the wire. We point out how the presence of the spin-orbit interaction gives rise to a long-range spin triplet supercurrent, which remains finite even in the limit of very large exchange fields. In particular, we show how rotating the field leads to a sequence of transitions between the 0 and π states as a function of the angle between the exchange field and the spin-orbit field. Simultaneously, the triplet pairing leads to a zero-energy peak in the density of states. We proceed by solving the linearized Usadel equations, showing the correspondence to the solutions of the full equations and detail the emergence of the long-range supercurrent components. Our studies are relevant for ongoing investigations of supercurrent in semiconductor nanowires in the limit of several channels and in the presence of disorder.

  7. Accurate multireference configuration interaction calculations of the 24 Λ-S states and 60 Ω states of the BO+ cation

    NASA Astrophysics Data System (ADS)

    Liu, Hui; Shi, Deheng; Sun, Jinfeng; Zhu, Zunlue

    2016-11-01

    The potential energy curves were calculated for the 24 Λ-S states correlating with the lowest four dissociation channels of the BO+ cation. The potential energy curves were also computed for the 60 Ω states generated from the 24 Λ-S states. Calculations were made for internuclear separations from 0.08 to 1.05 nm using the CASSCF method, which was followed by the icMRCI approach with the correlation-consistent basis sets. Core-valence correlation, scalar relativistic and basis extrapolation were accounted for. Of the 24 Λ-S states, only three states (25Π, 15Σ-, and 25Σ-) were found to be repulsive; only the 15Δ state was found to be a very weakly-bound state; and the E1Π, 23Π, and 15Π states were found to be very strong bound. In addition, the B1Σ+ and 31Σ+ states have double wells by the avoided crossing between the two states. The a3Π, 13Σ-, and 23Σ- states are inverted with the spin-orbit coupling effect included. The spectroscopic parameters were determined and the vibrational properties of several Λ-S states were predicted. Comparison with available experimental data shows that the methodology employed is highly accurate for this system.

  8. Disclosing the multi-faceted world of weakly interacting inorganic systems by means of NMR spectroscopy.

    PubMed

    Rocchigiani, Luca; Macchioni, Alceo

    2016-02-21

    The potential of NMR spectroscopy to investigate inorganic systems assembled by, or whose reactivity is affected by, non-covalent interactions is described. Subjects that have received particular attention in recent years (halogen bonding and Frustrated Lewis Pairs) and more classical subjects that remain under-explored (self-aggregation of ion pairs in low polar solvents, behavior of MAO containing metallocenium ion pairs, and hydrogen bonding/ion pairing effects in Au(i) catalysis) are considered, using an innovative approach, always focusing on the crucial information that can be provided by NMR.

  9. Interplay of weak interactions in the atom-by-atom condensation of xenon within quantum boxes.

    PubMed

    Nowakowska, Sylwia; Wäckerlin, Aneliia; Kawai, Shigeki; Ivas, Toni; Nowakowski, Jan; Fatayer, Shadi; Wäckerlin, Christian; Nijs, Thomas; Meyer, Ernst; Björk, Jonas; Stöhr, Meike; Gade, Lutz H; Jung, Thomas A

    2015-01-21

    Condensation processes are of key importance in nature and play a fundamental role in chemistry and physics. Owing to size effects at the nanoscale, it is conceptually desired to experimentally probe the dependence of condensate structure on the number of constituents one by one. Here we present an approach to study a condensation process atom-by-atom with the scanning tunnelling microscope, which provides a direct real-space access with atomic precision to the aggregates formed in atomically defined 'quantum boxes'. Our analysis reveals the subtle interplay of competing directional and nondirectional interactions in the emergence of structure and provides unprecedented input for the structural comparison with quantum mechanical models. This approach focuses on-but is not limited to-the model case of xenon condensation and goes significantly beyond the well-established statistical size analysis of clusters in atomic or molecular beams by mass spectrometry.

  10. Is the cosmic microwave background telling us that dark matter is weaker than weakly interacting?

    SciTech Connect

    Hooper, Dan

    2013-10-18

    If moduli, or other long-lived heavy states, decay in the early universe in part into light and feebly interacting particles (such as axions), these decay products could account for the additional energy density in radiation that is suggested by recent measurements of the CMB. These moduli decays will also, however, alter the expansion history of the early universe, potentially diluting the thermal relic abundance of dark matter. If this is the case, then dark matter particles must annihilate with an even lower cross section than required in the standard thermal scenario (sigma v < 3x10^-26 cm^3/s) if they are to make up the observed density of dark matter. This possibility has significant implications for direct and indirect searches for dark matter.

  11. Accurate and efficient quantum chemistry calculations for noncovalent interactions in many-body systems: the XSAPT family of methods.

    PubMed

    Lao, Ka Un; Herbert, John M

    2015-01-15

    We present an overview of "XSAPT", a family of quantum chemistry methods for noncovalent interactions. These methods combine an efficient, iterative, monomer-based approach to computing many-body polarization interactions with a two-body version of symmetry-adapted perturbation theory (SAPT). The result is an efficient method for computing accurate intermolecular interaction energies in large noncovalent assemblies such as molecular and ionic clusters, molecular crystals, clathrates, or protein-ligand complexes. As in traditional SAPT, the XSAPT energy is decomposable into physically meaningful components. Dispersion interactions are problematic in traditional low-order SAPT, and two new approaches are introduced here in an attempt to improve this situation: (1) third-generation empirical atom-atom dispersion potentials, and (2) an empirically scaled version of second-order SAPT dispersion. Comparison to high-level ab initio benchmarks for dimers, water clusters, halide-water clusters, a methane clathrate hydrate, and a DNA intercalation complex illustrate both the accuracy of XSAPT-based methods as well as their limitations. The computational cost of XSAPT scales as O(N(3))-O(N(5)) with respect to monomer size, N, depending upon the particular version that is employed, but the accuracy is typically superior to alternative ab initio methods with similar scaling. Moreover, the monomer-based nature of XSAPT calculations makes them trivially parallelizable, such that wall times scale linearly with respect to the number of monomer units. XSAPT-based methods thus open the door to both qualitative and quantitative studies of noncovalent interactions in clusters, biomolecules, and condensed-phase systems.

  12. Accurate and efficient calculation of van der Waals interactions within density functional theory by local atomic potential approach.

    PubMed

    Sun, Y Y; Kim, Yong-Hyun; Lee, Kyuho; Zhang, S B

    2008-10-21

    Density functional theory (DFT) in the commonly used local density or generalized gradient approximation fails to describe van der Waals (vdW) interactions that are vital to organic, biological, and other molecular systems. Here, we propose a simple, efficient, yet accurate local atomic potential (LAP) approach, named DFT+LAP, for including vdW interactions in the framework of DFT. The LAPs for H, C, N, and O are generated by fitting the DFT+LAP potential energy curves of small molecule dimers to those obtained from coupled cluster calculations with single, double, and perturbatively treated triple excitations, CCSD(T). Excellent transferability of the LAPs is demonstrated by remarkable agreement with the JSCH-2005 benchmark database [P. Jurecka et al. Phys. Chem. Chem. Phys. 8, 1985 (2006)], which provides the interaction energies of CCSD(T) quality for 165 vdW and hydrogen-bonded complexes. For over 100 vdW dominant complexes in this database, our DFT+LAP calculations give a mean absolute deviation from the benchmark results less than 0.5 kcal/mol. The DFT+LAP approach involves no extra computational cost other than standard DFT calculations and no modification of existing DFT codes, which enables straightforward quantum simulations, such as ab initio molecular dynamics, on biomolecular systems, as well as on other organic systems.

  13. Weak trophic interactions among birds, insects and white oak saplings (Quercus alba)

    USGS Publications Warehouse

    Lichtenberg, J.S.; Lichtenberg, D.A.

    2002-01-01

    We examined the interactions among insectivorous birds, arthropods and white oak saplings (Quercus alba L.) in a temperate deciduous forest under 'open' and 'closed' canopy environments. For 2 y, we compared arthropod densities, leaf damage and sapling growth. Saplings from each canopy environment were assigned to one of four treatments: (1) reference, (2) bird exclosure, (3) insecticide and (4) exclosure + insecticide. Sap-feeding insects were the most abundant arthropod feeding guild encountered and birds reduced sap-feeder densities in 1997, but not in 1998. Although there was no detectable influence of birds on leaf-chewer densities in either year, leaf damage to saplings was greater within bird exclosures than outside of bird exclosures in 1997. Insecticide significantly reduced arthropod densities and leaf damage to saplings, but there was no corresponding increase in sapling growth. Growth and biomass were greater for saplings in more open canopy environments for both years. Sap-feeder densities were higher on closed canopy than open canopy saplings in 1997, but canopy environment did not influence the effects of birds on lower trophic levels. Although previous studies have found birds to indirectly influence plant growth and biomass, birds did not significantly influence the growth or biomass of white oak saplings during our study.

  14. Sensitivity of shock boundary-layer interactions to weak geometric perturbations

    NASA Astrophysics Data System (ADS)

    Kim, Ji Hoon; Eaton, John K.

    2016-11-01

    Shock-boundary layer interactions can be sensitive to small changes in the inlet flow and boundary conditions. Robust computational models must capture this sensitivity, and validation of such models requires a suitable experimental database with well-defined inlet and boundary conditions. To that end, the purpose of this experiment is to systematically document the effects of small geometric perturbations on a SBLI flow to investigate the flow physics and establish an experimental dataset tailored for CFD validation. The facility used is a Mach 2.1, continuous operation wind tunnel. The SBLI is generated using a compression wedge; the region of interest is the resulting reflected shock SBLI. The geometric perturbations, which are small spanwise rectangular prisms, are introduced ahead of the compression ramp on the opposite wall. PIV is used to study the SBLI for 40 different perturbation geometries. Results show that the dominant effect of the perturbations is a global shift of the SBLI itself. In addition, the bumps introduce weaker shocks of varying strength and angles, depending on the bump height and location. Various scalar validation metrics, including a measure of shock unsteadiness, and their uncertainties are also computed to better facilitate CFD validation. Ji Hoon Kim is supported by an OTR Stanford Graduate Fellowship.

  15. A highly accurate and efficient algorithm for electrostatic interactions of charged particles confined by parallel metallic plates

    NASA Astrophysics Data System (ADS)

    Rostami, Samare; Ghasemi, S. Alireza; Nedaaee Oskoee, Ehsan

    2016-09-01

    We present an accurate and efficient algorithm to calculate the electrostatic interaction of charged point particles with partially periodic boundary conditions that are confined along the non-periodic direction by two parallel metallic plates. The method preserves the original boundary conditions, leading to an exact solution of the problem. In addition, the scaling complexity is quasilinear O ( N ln ( N ) ) , where N is the number of particles in the simulation box. Based on the superposition principle in electrostatics, the problem is split into two electrostatic problems where each can be calculated by the appropriate Poisson solver. The method is applied to NaCl ultra-thin films where its dielectric response with respect to an external bias voltage is investigated. Furthermore, the total charge induced on the metallic boundaries can be calculated to an arbitrary precision.

  16. Parametric study of the solar wind interaction with the Hermean magnetosphere for a weak interplanetary magnetic field

    NASA Astrophysics Data System (ADS)

    Varela, J.; Pantellini, F.; Moncuquet, M.

    2016-01-01

    The aim of this study is to simulate the interaction of the solar wind with the Hermean magnetosphere when the interplanetary magnetic field is weak, performing a parametric study for all the range of hydrodynamic values of the solar wind predicted on Mercury for the ENLIL + GONG WSA + Cone SWRC model: density from 12 to 180 cm-3, velocity from 200 to 500 km/s and temperatures from 2 ·104 to 18 ·104 K, and compare the results with a real MESSENGER orbit as reference case. We use the code PLUTO in spherical coordinates and an asymmetric multipolar expansion for the Hermean magnetic field. The study shows for all simulations a stand off distance larger than the Mercury radius and the presence of close magnetic field lines on the day side of the planet, so the dynamic pressure of the solar wind is not high enough to push the magnetopause on the planet surface if the interplanetary magnetic field is weak. The simulations with large dynamic pressure lead to a large compression of the Hermean magnetic field modifying its topology in the inner magnetosphere as well as the plasma flows from the magnetosheath towards the planet surface.

  17. Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions.

    PubMed

    Arcon, Juan Pablo; Defelipe, Lucas A; Modenutti, Carlos P; López, Elias D; Alvarez-Garcia, Daniel; Barril, Xavier; Turjanski, Adrián G; Martí, Marcelo A

    2017-03-31

    One of the most important biological processes at the molecular level is the formation of protein-ligand complexes. Therefore, determining their structure and underlying key interactions is of paramount relevance and has direct applications in drug development. Because of its low cost relative to its experimental sibling, molecular dynamics (MD) simulations in the presence of different solvent probes mimicking specific types of interactions have been increasingly used to analyze protein binding sites and reveal protein-ligand interaction hot spots. However, a systematic comparison of different probes and their real predictive power from a quantitative and thermodynamic point of view is still missing. In the present work, we have performed MD simulations of 18 different proteins in pure water as well as water mixtures of ethanol, acetamide, acetonitrile and methylammonium acetate, leading to a total of 5.4 μs simulation time. For each system, we determined the corresponding solvent sites, defined as space regions adjacent to the protein surface where the probability of finding a probe atom is higher than that in the bulk solvent. Finally, we compared the identified solvent sites with 121 different protein-ligand complexes and used them to perform molecular docking and ligand binding free energy estimates. Our results show that combining solely water and ethanol sites allows sampling over 70% of all possible protein-ligand interactions, especially those that coincide with ligand-based pharmacophoric points. Most important, we also show how the solvent sites can be used to significantly improve ligand docking in terms of both accuracy and precision, and that accurate predictions of ligand binding free energies, along with relative ranking of ligand affinity, can be performed.

  18. Preparation of a weak anion exchange/hydrophobic interaction dual-function mixed-mode chromatography stationary phase for protein separation using click chemistry.

    PubMed

    Zhao, Kailou; Yang, Fan; Xia, Hongjun; Wang, Fei; Song, Qingguo; Bai, Quan

    2015-03-01

    In this study, 3-diethylamino-1-propyne was covalently bonded to the azide-silica by a click reaction to obtain a novel dual-function mixed-mode chromatography stationary phase for protein separation with a ligand containing tertiary amine and two ethyl groups capable of electrostatic and hydrophobic interaction functionalities, which can display hydrophobic interaction chromatography character in a high-salt-concentration mobile phase and weak anion exchange character in a low-salt-concentration mobile phase employed for protein separation. As a result, it can be employed to separate proteins with weak anion exchange and hydrophobic interaction modes, respectively. The resolution and selectivity of the stationary phase were evaluated in both hydrophobic interaction and ion exchange modes with standard proteins, respectively, which can be comparable to that of conventional weak anion exchange and hydrophobic interaction chromatography columns. Therefore, the synthesized weak anion exchange/hydrophobic interaction dual-function mixed-mode chromatography column can be used to replace two corresponding conventional weak anion exchange and hydrophobic interaction chromatography columns to separate proteins. Based on this mixed-mode chromatography stationary phase, a new off-line two-dimensional liquid chromatography technology using only a single dual-function mixed-mode chromatography column was developed. Nine kinds of tested proteins can be separated completely using the developed method within 2.0 h.

  19. Search for weakly interacting sub-eV particles with the OSQAR laser-based experiment: results and perspectives

    NASA Astrophysics Data System (ADS)

    Pugnat, P.; Ballou, R.; Schott, M.; Husek, T.; Sulc, M.; Deferne, G.; Duvillaret, L.; Finger, M.; Finger, M.; Flekova, L.; Hosek, J.; Jary, V.; Jost, R.; Kral, M.; Kunc, S.; Macuchova, K.; Meissner, K. A.; Morville, J.; Romanini, D.; Siemko, A.; Slunecka, M.; Vitrant, G.; Zicha, J.

    2014-08-01

    Recent theoretical and experimental studies highlight the possibility of new fundamental particle physics beyond the Standard Model that can be probed by sub-eV energy experiments. The OSQAR photon regeneration experiment looks for "Light Shining through a Wall" (LSW) from the quantum oscillation of optical photons into "Weakly Interacting Sub-eV Particles" (WISPs), like axion or axion-like particles (ALPs), in a 9 T transverse magnetic field over the unprecedented length of $2 \\times 14.3$ m. No excess of events has been detected over the background. The di-photon couplings of possible new light scalar and pseudo-scalar particles can be constrained in the massless limit to be less than $8.0\\times10^{-8}$ GeV$^{-1}$. These results are very close to the most stringent laboratory constraints obtained for the coupling of ALPs to two photons. Plans for further improving the sensitivity of the OSQAR experiment are presented.

  20. Bayesian reconstruction of the velocity distribution of weakly interacting massive particles from direct dark matter detection data

    SciTech Connect

    Shan, Chung-Lin

    2014-08-01

    In this paper, we extended our earlier work on the reconstruction of the (time-averaged) one-dimensional velocity distribution of Galactic Weakly Interacting Massive Particles (WIMPs) and introduce the Bayesian fitting procedure to the theoretically predicted velocity distribution functions. In this reconstruction process, the (rough) velocity distribution reconstructed by using raw data from direct Dark Matter detection experiments directly, i.e. measured recoil energies, with one or more different target materials, has been used as ''reconstructed-input'' information. By assuming a fitting velocity distribution function and scanning the parameter space based on the Bayesian analysis, the astronomical characteristic parameters, e.g. the Solar and Earth's Galactic velocities, will be pinned down as the output results.

  1. Orbital interactions and charge redistribution in weak hydrogen bonds: The Watson-Crick AT mimic adenine-2,4-difluorotoluene

    NASA Astrophysics Data System (ADS)

    Fonseca Guerra, Célia; Bickelhaupt, F. Matthias

    2003-08-01

    The discovery by Kool and co-workers that 2,4-difluorotoluene (F) mimics thymine (T) in DNA replication has led to a controversy about the question if this mimic has the capability of forming hydrogen bonds with adenine (A). In the present study, we address not only the question about the strengths of the hydrogen bonds in AF as compared to those in AT but we focus in particular on the nature of these interactions. Thus, we have analyzed AF and AT at the BP86/TZ2P level of density functional theory (DFT). In line with previous experience, this approach is shown to achieve close agreement with the available data from ab initio computations and experiment: the complexation energy of AF (-3.2 kcal/mol) is confirmed to be much weaker indeed than that of AT (-13.0 kcal/mol). Interestingly, the weak hydrogen bonds in AF still possess a significant orbital interaction component that resembles the situation for the more strongly bound AT, as follows from (1) an analysis of the orbital electronic structure of AF and AT, (2) a quantitative decomposition of the A-F and A-T bond energies, as well as (3) a quantitative decomposition of the charge redistribution associated with the A-F and A-T interactions based on the Voronoi deformation density (VDD) method. The VDD method has been further developed such that the charge redistribution ΔQ per atom can be decomposed into a component associated with the Pauli repulsive orbital interactions and a component associated with the bonding orbital interactions: ΔQ=ΔQPauli+ΔQoi. Implications of our findings for the mechanism of DNA replication are discussed.

  2. EB1 acetylation by P300/CBP-associated factor (PCAF) ensures accurate kinetochore–microtubule interactions in mitosis

    PubMed Central

    Xia, Peng; Wang, Zhikai; Liu, Xing; Wu, Bing; Wang, Juncheng; Ward, Tarsha; Zhang, Liangyu; Ding, Xia; Gibbons, Gary; Shi, Yunyu; Yao, Xuebiao

    2012-01-01

    In eukaryotes, microtubules are essential for cellular plasticity and dynamics. Here we show that P300/CBP-associated factor (PCAF), a kinetochore-associated acetyltransferase, acts as a negative modulator of microtubule stability through acetylation of EB1, a protein that controls the plus ends of microtubules. PCAF acetylates EB1 on K220 and disrupts the stability of a hydrophobic cavity on the dimerized EB1 C terminus, which was previously reported to interact with plus-end tracking proteins (TIPs) containing the SxIP motif. As determined with an EB1 acetyl-K220–specific antibody, K220 acetylation is dramatically increased in mitosis and localized to the spindle microtubule plus ends. Surprisingly, persistent acetylation of EB1 delays metaphase alignment, resulting in impaired checkpoint silencing. Consequently, suppression of Mad2 overrides mitotic arrest induced by persistent EB1 acetylation. Thus, our findings identify dynamic acetylation of EB1 as a molecular mechanism to orchestrate accurate kinetochore–microtubule interactions in mitosis. These results establish a previously uncharacterized regulatory mechanism governing localization of microtubule plus-end tracking proteins and thereby the plasticity and dynamics of cells. PMID:23001180

  3. Weak and Saturable Protein–Surfactant Interactions in the Denaturation of Apo-α-Lactalbumin by Acidic and Lactonic Sophorolipid

    PubMed Central

    Andersen, Kell K.; Vad, Brian S.; Roelants, Sophie; van Bogaert, Inge N. A.; Otzen, Daniel E.

    2016-01-01

    Biosurfactants are of growing interest as sustainable alternatives to fossil-fuel-derived chemical surfactants, particularly for the detergent industry. To realize this potential, it is necessary to understand how they affect proteins which they may encounter in their applications. However, knowledge of such interactions is limited. Here, we present a study of the interactions between the model protein apo-α-lactalbumin (apo-aLA) and the biosurfactant sophorolipid (SL) produced by the yeast Starmerella bombicola. SL occurs both as an acidic and a lactonic form; the lactonic form (lactSL) is sparingly soluble and has a lower critical micelle concentration (cmc) than the acidic form [non-acetylated acidic sophorolipid (acidSL)]. We show that acidSL affects apo-aLA in a similar way to the related glycolipid biosurfactant rhamnolipid (RL), with the important difference that RL is also active below the cmc in contrast to acidSL. Using isothermal titration calorimetry data, we show that acidSL has weak and saturable interactions with apo-aLA at low concentrations; due to the relatively low cmc of acidSL (which means that the monomer concentration is limited to ca. 0–1 mM SL), it is only possible to observe interactions with monomeric acidSL at high apo-aLA concentrations. However, the denaturation kinetics of apo-aLA in the presence of acidSL are consistent with a collaboration between monomeric and micellar surfactant species, similar to RL and non-ionic or zwitterionic surfactants. Inclusion of diacetylated lactonic sophorolipid (lactSL) as mixed micelles with acidSL lowers the cmc and this effectively reduces the rate of unfolding, emphasizing that SL like other biosurfactants is a gentle anionic surfactant. Our data highlight the potential of these biosurfactants for future use in the detergent and pharmaceutical industry. PMID:27877155

  4. Weak and Saturable Protein-Surfactant Interactions in the Denaturation of Apo-α-Lactalbumin by Acidic and Lactonic Sophorolipid.

    PubMed

    Andersen, Kell K; Vad, Brian S; Roelants, Sophie; van Bogaert, Inge N A; Otzen, Daniel E

    2016-01-01

    Biosurfactants are of growing interest as sustainable alternatives to fossil-fuel-derived chemical surfactants, particularly for the detergent industry. To realize this potential, it is necessary to understand how they affect proteins which they may encounter in their applications. However, knowledge of such interactions is limited. Here, we present a study of the interactions between the model protein apo-α-lactalbumin (apo-aLA) and the biosurfactant sophorolipid (SL) produced by the yeast Starmerella bombicola. SL occurs both as an acidic and a lactonic form; the lactonic form (lactSL) is sparingly soluble and has a lower critical micelle concentration (cmc) than the acidic form [non-acetylated acidic sophorolipid (acidSL)]. We show that acidSL affects apo-aLA in a similar way to the related glycolipid biosurfactant rhamnolipid (RL), with the important difference that RL is also active below the cmc in contrast to acidSL. Using isothermal titration calorimetry data, we show that acidSL has weak and saturable interactions with apo-aLA at low concentrations; due to the relatively low cmc of acidSL (which means that the monomer concentration is limited to ca. 0-1 mM SL), it is only possible to observe interactions with monomeric acidSL at high apo-aLA concentrations. However, the denaturation kinetics of apo-aLA in the presence of acidSL are consistent with a collaboration between monomeric and micellar surfactant species, similar to RL and non-ionic or zwitterionic surfactants. Inclusion of diacetylated lactonic sophorolipid (lactSL) as mixed micelles with acidSL lowers the cmc and this effectively reduces the rate of unfolding, emphasizing that SL like other biosurfactants is a gentle anionic surfactant. Our data highlight the potential of these biosurfactants for future use in the detergent and pharmaceutical industry.

  5. HistoStitcher(©): an interactive program for accurate and rapid reconstruction of digitized whole histological sections from tissue fragments.

    PubMed

    Chappelow, Jonathan; Tomaszewski, John E; Feldman, Michael; Shih, Natalie; Madabhushi, Anant

    2011-01-01

    We present an interactive program called HistoStitcher(©) for accurate and rapid reassembly of histology fragments into a pseudo-whole digitized histological section. HistoStitcher(©) provides both an intuitive graphical interface to assist the operator in performing the stitch of adjacent histology fragments by selecting pairs of anatomical landmarks, and a set of computational routines for determining and applying an optimal linear transformation to generate the stitched image. Reconstruction of whole histological sections from images of slides containing smaller fragments is required in applications where preparation of whole sections of large tissue specimens is not feasible or efficient, and such whole mounts are required to facilitate (a) disease annotation and (b) image registration with radiological images. Unlike manual reassembly of image fragments in a general purpose image editing program (such as Photoshop), HistoStitcher(©) provides memory efficient operation on high resolution digitized histology images and a highly flexible stitching process capable of producing more accurate results in less time. Further, by parameterizing the series of transformations determined by the stitching process, the stitching parameters can be saved, loaded at a later time, refined, or reapplied to multi-resolution scans, or quickly transmitted to another site. In this paper, we describe in detail the design of HistoStitcher(©) and the mathematical routines used for calculating the optimal image transformation, and demonstrate its operation for stitching high resolution histology quadrants of a prostate specimen to form a digitally reassembled whole histology section, for 8 different patient studies. To evaluate stitching quality, a 6 point scoring scheme, which assesses the alignment and continuity of anatomical structures important for disease annotation, is employed by three independent expert pathologists. For 6 studies compared with this scheme, reconstructed

  6. Electrokinetic detection for X-ray spectra of weakly interacting liquids: n-decane and n-nonane

    NASA Astrophysics Data System (ADS)

    Lam, Royce K.; Shih, Orion; Smith, Jacob W.; Sheardy, Alex T.; Rizzuto, Anthony M.; Prendergast, David; Saykally, Richard J.

    2014-06-01

    The introduction of liquid microjets into soft X-ray absorption spectroscopy enabled the windowless study of liquids by this powerful atom-selective high vacuum methodology. However, weakly interacting liquids produce large vapor backgrounds that strongly perturb the liquid signal. Consequently, solvents (e.g., hydrocarbons, ethers, ketones, etc.) and solutions of central importance in chemistry and biology have been inaccessible by this technology. Here we describe a new detection method, upstream detection, which greatly reduces the vapor phase contribution to the X-ray absorption signal while retaining important advantages of liquid microjet sample introduction (e.g., minimal radiation damage). The effectiveness of the upstream detection method is demonstrated in this first study of room temperature liquid hydrocarbons: n-nonane and n-decane. Good agreement with first principles' calculations indicates that the eXcited electron and Core Hole theory adequately describes the subtle interactions in these liquids that perturb the electronic structure of the unoccupied states probed in core-level experiments.

  7. On absence of bound states for weakly attractive δ'-interactions supported on non-closed curves in ℝ2

    NASA Astrophysics Data System (ADS)

    Jex, Michal; Lotoreichik, Vladimir

    2016-02-01

    Let Λ ⊂ ℝ2 be a non-closed piecewise-C1 curve, which is either bounded with two free endpoints or unbounded with one free endpoint. Let u±|Λ ∈ L2(Λ) be the traces of a function u in the Sobolev space H1(ℝ2∖Λ) onto two faces of Λ. We prove that for a wide class of shapes of Λ the Schrödinger operator Hω Λ with δ'-interaction supported on Λ of strength ω ∈ L∞(Λ; ℝ) associated with the quadratic form H 1 ( R 2 ∖ Λ ) ∋ u ↦ ∫ R 2 |" separators=" ∇ u | 2 d x - ∫ Λ ω |" separators=" u + | Λ - u - | Λ | 2 d s has no negative spectrum provided that ω is pointwise majorized by a strictly positive function explicitly expressed in terms of Λ. If, additionally, the domain ℝ2∖Λ is quasi-conical, we show that σ ( Hω Λ ) = [ 0 , + ∞ ) . For a bounded curve Λ in our class and non-varying interaction strength ω ∈ ℝ, we derive existence of a constant ω∗ > 0 such that σ ( Hω Λ ) = [ 0 , + ∞ ) for all ω ∈ (-∞, ω∗]; informally speaking, bound states are absent in the weak coupling regime.

  8. Molecular change signal-to-noise criteria for interpreting experiments involving exposure of biological systems to weakly interacting electromagnetic fields.

    PubMed

    Vaughan, Timothy E; Weaver, James C

    2005-05-01

    We describe an approach to aiding the design and interpretation of experiments involving biological effects of weakly interacting electromagnetic fields that range from steady (dc) to microwave frequencies. We propose that if known biophysical mechanisms cannot account for an inferred, underlying molecular change signal-to-noise ratio, (S/N)gen, of a observed result, then there are two interpretation choices: (1) there is an unknown biophysical mechanism with stronger coupling between the field exposure and the ongoing biochemical process, or (2) the experiment is responding to something other than the field exposure. Our approach is based on classical detection theory, the recognition that weakly interacting fields cannot break chemical bonds, and the consequence that such fields can only alter rates of ongoing, metabolically driven biochemical reactions, and transport processes. The approach includes both fundamental chemical noise (molecular shot noise) and other sources of competing chemical change, to be compared quantitatively to the field induced change for the basic case that the field alters a single step in a biochemical network. Consistent with pharmacology and toxicology, we estimate the molecular dose (mass associated with field induced molecular change per mass tissue) resulting from illustrative low frequency field exposures for the biophysical mechanism of voltage gated channels. For perspective, we then consider electric field-mediated delivery of small molecules across human skin and into individual cells. Specifically, we consider the examples of iontophoretic and electroporative delivery of fentanyl through skin and electroporative delivery of bleomycin into individual cells. The total delivered amount corresponds to a molecular change signal and the delivery variability corresponds to generalized chemical noise. Viewed broadly, biological effects due to nonionizing fields may include animal navigation, medical applications, and environmental

  9. Generalized spin-ratio scaled MP2 method for accurate prediction of intermolecular interactions for neutral and ionic species

    NASA Astrophysics Data System (ADS)

    Tan, Samuel; Barrera Acevedo, Santiago; Izgorodina, Ekaterina I.

    2017-02-01

    The accurate calculation of intermolecular interactions is important to our understanding of properties in large molecular systems. The high computational cost of the current "gold standard" method, coupled cluster with singles and doubles and perturbative triples (CCSD(T), limits its application to small- to medium-sized systems. Second-order Møller-Plesset perturbation (MP2) theory is a cheaper alternative for larger systems, although at the expense of its decreased accuracy, especially when treating van der Waals complexes. In this study, a new modification of the spin-component scaled MP2 method was proposed for a wide range of intermolecular complexes including two well-known datasets, S22 and S66, and a large dataset of ionic liquids consisting of 174 single ion pairs, IL174. It was found that the spin ratio, ɛΔ s=E/INT O SEIN T S S , calculated as the ratio of the opposite-spin component to the same-spin component of the interaction correlation energy fell in the range of 0.1 and 1.6, in contrast to the range of 3-4 usually observed for the ratio of absolute correlation energy, ɛs=E/OSES S , in individual molecules. Scaled coefficients were found to become negative when the spin ratio fell in close proximity to 1.0, and therefore, the studied intermolecular complexes were divided into two groups: (1) complexes with ɛΔ s< 1 and (2) complexes with ɛΔ s≥ 1 . A separate set of coefficients was obtained for both groups. Exclusion of counterpoise correction during scaling was found to produce superior results due to decreased error. Among a series of Dunning's basis sets, cc-pVTZ and cc-pVQZ were found to be the best performing ones, with a mean absolute error of 1.4 kJ mol-1 and maximum errors below 6.2 kJ mol-1. The new modification, spin-ratio scaled second-order Møller-Plesset perturbation, treats both dispersion-driven and hydrogen-bonded complexes equally well, thus validating its robustness with respect to the interaction type ranging from ionic

  10. Strong and Electroweak Corrections to the Production of a Higgs Boson+2 Jets via Weak Interactions at the Large Hadron Collider

    SciTech Connect

    Ciccolini, M.; Denner, A.; Dittmaier, S.

    2007-10-19

    Radiative corrections of strong and electroweak interactions are presented at next-to-leading order for the production of a Higgs boson plus two hard jets via weak interactions at the CERN Large Hadron Collider. The calculation includes all weak-boson fusion and quark-antiquark annihilation diagrams as well as the corresponding interferences. The electroweak corrections, which are discussed here for the first time, reduce the cross sections by 5% and thus are of the same order of magnitude as the QCD corrections.

  11. Chirality of weakly bound complexes: The potential energy surfaces for the hydrogen-peroxide−noble-gas interactions

    SciTech Connect

    Roncaratti, L. F. Leal, L. A.; Silva, G. M. de; Pirani, F.; Aquilanti, V.; Gargano, R.

    2014-10-07

    We consider the analytical representation of the potential energy surfaces of relevance for the intermolecular dynamics of weakly bound complexes of chiral molecules. In this paper we study the H{sub 2}O{sub 2}−Ng (Ng=He, Ne, Ar, Kr, and Xe) systems providing the radial and the angular dependence of the potential energy surface on the relative position of the Ng atom. We accomplish this by introducing an analytical representation which is able to fit the ab initio energies of these complexes in a wide range of geometries. Our analysis sheds light on the role that the enantiomeric forms and the symmetry of the H{sub 2}O{sub 2} molecule play on the resulting barriers and equilibrium geometries. The proposed theoretical framework is useful to study the dynamics of the H{sub 2}O{sub 2} molecule, or other systems involving O–O and S–S bonds, interacting by non-covalent forces with atoms or molecules and to understand how the relative orientation of the O–H bonds changes along collisional events that may lead to a hydrogen bond formation or even to selectivity in chemical reactions.

  12. Ruling out the light weakly interacting massive particle explanation of the Galactic 511 keV line

    NASA Astrophysics Data System (ADS)

    Wilkinson, Ryan J.; Vincent, Aaron C.; BÅ`hm, Céline; McCabe, Christopher

    2016-11-01

    Over the past few decades, an anomalous 511 keV gamma-ray line has been observed from the center of the Milky Way. Dark matter (DM) in the form of light (≲10 MeV ) weakly interacting massive particles (WIMPs) annihilating into electron-positron pairs has been one of the leading hypotheses of the observed emission. Given the small required cross section, ⟨σ v ⟩˜1 0-30 cm3 s-1 , a further coupling to lighter particles is required to produce the correct relic density. Here, we derive constraints from the Planck satellite on light WIMPs that were in equilibrium with either the neutrino or electron sector in the early universe. For the neutrino sector, we obtain a lower bound on the WIMP mass of 4 MeV for a real scalar and 10 MeV for a Dirac fermion DM particle, at 95% C.L. For the electron sector, we find even stronger bounds of 7 and 11 MeV, respectively. Using these results, we show that, in the absence of additional ingredients such as dark radiation, the light thermally produced WIMP explanation of the 511 keV excess is strongly disfavored by the latest cosmological data. This suggests an unknown astrophysical or more exotic DM source of the signal.

  13. pH-dependent drug-drug interactions for weak base drugs: potential implications for new drug development.

    PubMed

    Zhang, L; Wu, F; Lee, S C; Zhao, H; Zhang, L

    2014-08-01

    Absorption of an orally administered drug with pH-dependent solubility may be altered when it is coadministered with a gastric acid-reducing agent (ARA). Assessing a drug's potential for pH-dependent drug-drug interactions (DDIs), considering study design elements for such DDI studies, and interpreting and communicating study results in the drug labeling to guide drug dosing are important for drug development. We collected pertinent information related to new molecular entities approved from January 2003 to May 2013 by the US Food and Drug Administration for which clinical DDI studies with ARAs were performed. On the basis of assessments of data on pH solubility and in vivo DDIs with ARAs, we proposed a conceptual framework for assessing the need for clinical pH-dependent DDI studies for weak base drugs (WBDs). Important study design considerations include selection of ARAs and timing of dosing of an ARA relative to the WBD in a DDI study. Labeling implications for drugs having DDIs with ARAs are also illustrated.

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

    NASA Astrophysics Data System (ADS)

    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

  15. Interaction of metal ions with biomolecular ligands: how accurate are calculated free energies associated with metal ion complexation?

    PubMed

    Gutten, Ondrej; Beššeová, Ivana; Rulíšek, Lubomír

    2011-10-20

    To address fundamental questions in bioinorganic chemistry, such as metal ion selectivity, accurate computational protocols for both the gas-phase association of metal-ligand complexes and solvation/desolvation energies of the species involved are needed. In this work, we attempt to critically evaluate the performance of the ab initio and DFT electronic structure methods available and recent solvation models in calculations of the energetics associated with metal ion complexation. On the example of five model complexes ([M(II)(CH(3)S)(H(2)O)](+), [M(II)(H(2)O)(2)(H(2)S)(NH(3))](2+), [M(II)(CH(3)S)(NH(3))(H(2)O)(CH(3)COO)], [M(II)(H(2)O)(3)(SH)(CH(3)COO)(Im)], [M(II)(H(2)S)(H(2)O)(CH(3)COO)(PhOH)(Im)](+) in typical coordination geometries) and four metal ions (Fe(2+), Cu(2+), Zn(2+), and Cd(2+); representing open- and closed-shell and the first- and second-row transition metal elements), we provide reference values for the gas-phase complexation energies, as presumably obtained using the CCSD(T)/aug-cc-pVTZ method, and compare them with cheaper methods, such as DFT and RI-MP2, that can be used for large-scale calculations. We also discuss two possible definitions of interaction energies underlying the theoretically predicted metal-ion selectivity and the effect of geometry optimization on these values. Finally, popular solvation models, such as COSMO-RS and SMD, are used to demonstrate whether quantum chemical calculations can provide the overall free enthalpy (ΔG) changes in the range of the expected experimental values for the model complexes or match the experimental stability constants in the case of three complexes for which the experimental data exist. The data presented highlight several intricacies in the theoretical predictions of the experimental stability constants: the covalent character of some metal-ligand bonds (e.g., Cu(II)-thiolate) causing larger errors in the gas-phase complexation energies, inaccuracies in the treatment of solvation of the

  16. Weak Interaction Rates of sd-SHELL Nuclei in Stellar Environments Calculated in the Proton-Neutron Quasiparticle Random-Phase Approximation

    NASA Astrophysics Data System (ADS)

    Nabi, J.-U.; Klapdor-Kleingrothaus, H. V.

    1999-03-01

    Allowed weak interaction rates for sd-shell nuclei in stellar environment are calculated using a generalized form of proton-neutron quasi-particle RPA model with separable Gamow-Teller forces. The calculated capture and decay rates take into consideration the latest experimental energy levels and ft-value compilations. Weak rates calculated are tabulated at the same points of density and temperature as those of Oda et al. [Atomic Data and Nuclear Data Tables 56, 231 (1994)]. The results are also compared with earlier works. Particle emission processes from excited states, previously ignored, are taken into account and are found to significantly affect some β decay rates.

  17. Eight salts constructed from 4-phenylthiazol-2-amine and carboxylic acid derivatives through combination of strong hydrogen bonding and weak noncovalent interactions

    NASA Astrophysics Data System (ADS)

    Jin, Shouwen; Zhu, Qiaowang; Wei, ShuaiShuai; Wang, Daqi

    2013-10-01

    Eight crystalline organic salts derived from 4-phenylthiazol-2-amine and carboxylic acid derivatives (2-chloronicotinic acid, 3-hydroxy-2-naphthoic acid, p-nitrobenzoic acid, 2-hydroxy-5-(phenyldiazenyl)benzoic acid, 5-nitrosalicylic acid, 5-sulfosalicylic acid, oxalic acid, and L-malic acid) were prepared and characterized by X-ray diffraction analysis, IR, mp, and elemental analysis. In all of the salts except 6, 7, and 8, the 4-phenylthiazol-2-amine and carboxylic acid components are held together by two fused heterosynthons: a R22(7) heterosynthon and a R22(8) heterosynthon. All supramolecular architectures of the organic salts 1-8 involve extensive Nsbnd H⋯O hydrogen bonds as well as other noncovalent interactions. The role of weak and strong noncovalent interactions in the crystal packing is ascertained. The salts displayed 2D/3D framework structure under these weak interactions.

  18. How Accurate Are the Minnesota Density Functionals for Noncovalent Interactions, Isomerization Energies, Thermochemistry, and Barrier Heights Involving Molecules Composed of Main-Group Elements?

    PubMed

    Mardirossian, Narbe; Head-Gordon, Martin

    2016-09-13

    The 14 Minnesota density functionals published between the years 2005 and early 2016 are benchmarked on a comprehensive database of 4986 data points (84 data sets) involving molecules composed of main-group elements. The database includes noncovalent interactions, isomerization energies, thermochemistry, and barrier heights, as well as equilibrium bond lengths and equilibrium binding energies of noncovalent dimers. Additionally, the sensitivity of the Minnesota density functionals to the choice of basis set and integration grid is explored for both noncovalent interactions and thermochemistry. Overall, the main strength of the hybrid Minnesota density functionals is that the best ones provide very good performance for thermochemistry (e.g., M06-2X), barrier heights (e.g., M08-HX, M08-SO, MN15), and systems heavily characterized by self-interaction error (e.g., M06-2X, M08-HX, M08-SO, MN15), while the main weakness is that none of them are state-of-the-art for the full spectrum of noncovalent interactions and isomerization energies (although M06-2X is recommended from the 10 hybrid Minnesota functionals). Similarly, the main strength of the local Minnesota density functionals is that the best ones provide very good performance for thermochemistry (e.g., MN15-L), barrier heights (e.g., MN12-L), and systems heavily characterized by self-interaction error (e.g., MN12-L and MN15-L), while the main weakness is that none of them are state-of-the-art for the full spectrum of noncovalent interactions and isomerization energies (although M06-L is clearly the best from the four local Minnesota functionals). As an overall guide, M06-2X and MN15 are perhaps the most broadly useful hybrid Minnesota functionals, while M06-L and MN15-L are perhaps the most broadly useful local Minnesota functionals, although each has different strengths and weaknesses.

  19. Neutron-Rich Nuclei and Neutron Stars: A New Accurately Calibrated Interaction for the Study of Neutron-Rich Matter

    SciTech Connect

    Todd-Rutel, B.G.; Piekarewicz, J.

    2005-09-16

    An accurately calibrated relativistic parametrization is introduced to compute the ground state properties of finite nuclei, their linear response, and the structure of neutron stars. While similar in spirit to the successful NL3 parameter set, it produces an equation of state that is considerably softer--both for symmetric nuclear matter and for the symmetry energy. This softening appears to be required for an accurate description of several collective modes having different neutron-to-proton ratios. Among the predictions of this model are a symmetric nuclear-matter incompressibility of K=230 MeV and a neutron skin thickness in {sup 208}Pb of R{sub n}-R{sub p}=0.21 fm. The impact of such a softening on various neutron-star properties is also examined.

  20. Adaptation of the TH Epsilon Mu formalism for the analysis of the equivalence principle in the presence of the weak and electroweak interaction

    NASA Technical Reports Server (NTRS)

    Fennelly, A. J.

    1981-01-01

    The TH epsilon mu formalism, used in analyzing equivalence principle experiments of metric and nonmetric gravity theories, is adapted to the description of the electroweak interaction using the Weinberg-Salam unified SU(2) x U(1) model. The use of the TH epsilon mu formalism is thereby extended to the weak interactions, showing how the gravitational field affects W sub mu (+ or -1) and Z sub mu (0) boson propagation and the rates of interactions mediated by them. The possibility of a similar extension to the strong interactions via SU(5) grand unified theories is briefly discussed. Also, using the effects of the potentials on the baryon and lepton wave functions, the effects of gravity on transition mediated in high-A atoms which are electromagnetically forbidden. Three possible experiments to test the equivalence principle in the presence of the weak interactions, which are technologically feasible, are then briefly outline: (1) K-capture by the FE nucleus (counting the emitted X-ray); (2) forbidden absorption transitions in high-A atoms' vapor; and (3) counting the relative Beta-decay rates in a suitable alpha-beta decay chain, assuming the strong interactions obey the equivalence principle.

  1. Exclusion of canonical weakly interacting massive particles by joint analysis of Milky Way dwarf galaxies with data from the Fermi Gamma-Ray Space Telescope.

    PubMed

    Geringer-Sameth, Alex; Koushiappas, Savvas M

    2011-12-09

    Dwarf spheroidal galaxies are known to be excellent targets for the detection of annihilating dark matter. We present new limits on the annihilation cross section of weakly interacting massive particles based on the joint analysis of seven Milky Way dwarfs using a frequentist Neyman construction and Pass 7 data from the Fermi Gamma-Ray Space Telescope. We exclude generic weakly interacting massive particle candidates annihilating into bb with a mass less than 40 GeV that reproduce the observed relic abundance. To within 95% systematic errors on the dark matter distribution within the dwarfs, the mass lower limit can be as low as 19 GeV or as high as 240 GeV. For annihilation into τ+ τ-, these limits become 19, 13, and 80 GeV, respectively.

  2. Exclusion of Canonical Weakly Interacting Massive Particles by Joint Analysis of Milky Way Dwarf Galaxies with Data from the Fermi Gamma-Ray Space Telescope

    NASA Astrophysics Data System (ADS)

    Geringer-Sameth, Alex; Koushiappas, Savvas M.

    2011-12-01

    Dwarf spheroidal galaxies are known to be excellent targets for the detection of annihilating dark matter. We present new limits on the annihilation cross section of weakly interacting massive particles based on the joint analysis of seven Milky Way dwarfs using a frequentist Neyman construction and Pass 7 data from the Fermi Gamma-Ray Space Telescope. We exclude generic weakly interacting massive particle candidates annihilating into bb¯ with a mass less than 40 GeV that reproduce the observed relic abundance. To within 95% systematic errors on the dark matter distribution within the dwarfs, the mass lower limit can be as low as 19 GeV or as high as 240 GeV. For annihilation into τ+τ-, these limits become 19, 13, and 80 GeV, respectively.

  3. Accurately mapping the location of the binding site for the interaction between hepatitis B virus X protein and cytochrome c oxidase III

    PubMed Central

    LI, DAN; DING, JIAN; CHEN, ZHIXIN; CHEN, YUN; LIN, NA; CHEN, FENGLIN; WANG, XIAOZHONG

    2015-01-01

    The hepatitis B virus (HBV) X protein (HBx) plays an important pathogenetic role in hepatocarcinoma tumorigenesis. As HBx does not have the ability to bind to double-stranded DNA (dsDNA), protein-protein interaction is crucial for HBx functions. In a previous study, we screened a novel HBx-interacting protein, the cytochrome c oxidase subunit III (COXIII). In the present study, we aimed to accurately map the location of the binding site for the interaction of HBx with COXIII. Two fragments of HBx mutants (X1 aa1-72 and X2 aa1-117) were amplified by polymerase chain reaction (PCR) and separately inserted into the pAS2-1 plasmid. PCR and gene sequencing confirmed the correct insertion of the mutant fragments in the plasmid. The tanscription of the mutant fragments in yeast cells was demonstrated by RT-PCR and western blot analysis confirmed that they were accurately translated into fusion proteins. Hybridization on solid medium and the detection of β-galactosidase (β-gal) activity indicated that the binding site for the interaction between HBx and COXIII was located between aa72 and aa117. Specific interactions between the HBxX2 protein and COXIII were verified by co-immunoprecipitation. To the best of our knowledge, this is the first study showing to demonstrate that aa72-117 in HBx is the key region for binding with COXIII. PMID:25483779

  4. The multiscale coarse-graining method. XI. Accurate interactions based on the centers of charge of coarse-grained sites

    SciTech Connect

    Cao, Zhen; Voth, Gregory A.

    2015-12-28

    It is essential to be able to systematically construct coarse-grained (CG) models that can efficiently and accurately reproduce key properties of higher-resolution models such as all-atom. To fulfill this goal, a mapping operator is needed to transform the higher-resolution configuration to a CG configuration. Certain mapping operators, however, may lose information related to the underlying electrostatic properties. In this paper, a new mapping operator based on the centers of charge of CG sites is proposed to address this issue. Four example systems are chosen to demonstrate this concept. Within the multiscale coarse-graining framework, CG models that use this mapping operator are found to better reproduce the structural correlations of atomistic models. The present work also demonstrates the flexibility of the mapping operator and the robustness of the force matching method. For instance, important functional groups can be isolated and emphasized in the CG model.

  5. Weak intermolecular interactions in 11-chloro-2,3,4,5-tetrahydro-1H-cyclohepta[b]quinoline.

    PubMed

    Novaković, Sladjana B; Vitorović-Todorović, Maja D; Bogdanović, Goran A; Drakulić, Branko J

    2008-09-01

    The title compound, C(14)H(14)ClN, is a chloro analogue of tacrine, an acetylcholinesterase inhibitor. The compound comprises a seven-membered alicyclic ring whose CH donor groups are engaged in extensive intermolecular interactions. The important feature of this crystal structure is that, regardless of the presence of two typical hydrogen-bonding acceptors, viz. chlorine and nitrogen, the corresponding C-H...Cl and C-H...N interactions take no significant role in crystal stabilization. The molecules form dimers through pi-pi interactions with an interplanar distance between interacting pyridine rings of 3.576 (1) A. Within the dimers, the molecules are additionally interconnected by four C-H...pi interactions. The dimers arrange into regular columns via further intermolecular C-H...pi interactions.

  6. Contrasting Behavior of the Z Bonds in X-Z···Y Weak Interactions: Z = Main Group Elements Versus the Transition Metals.

    PubMed

    Joy, Jyothish; Jemmis, Eluvathingal D

    2017-02-06

    In contrast to the increasing family of weak intermolecular interactions in main-group compounds (X-Z···Y, Z = main-group elements), an analysis of the Cambridge Structural Database indicates that electron-saturated (18-electron) transition-metal complexes show reluctance toward weak M bond formation (X-M···Y, M = transition metal). In particular, weak M bonds involving electron-saturated (18-electron) complexes of transition metals with partially filled d-orbitals are not found. We propose that the nature of valence electron density distribution in transition-metal complexes is the primary reason for this reluctance. A survey of the interaction of selected electron-saturated transition-metal complexes with electron-rich molecules (Y) demonstrates the following: shielding the possible σ-hole on the metal center by the core electron density in 3d series, and enhanced electronegativity and relativistic effects in 4d and 5d series, hinders the formation of the M bond. A balance in all the destabilizing effects has been found in the 4d series due to its moderate polarizability and primogenic repulsion from inner core d-electrons. A changeover in the donor-acceptor nature of the metal center toward different types of incoming molecules is also unveiled here. The present study confirms the possibility of M bond as a new supramolecular force in designing the crystal structures of electron-saturated transition-metal complexes by invoking extreme ligand conditions.

  7. Accurately characterizing the importance of wave-particle interactions in radiation belt dynamics: The pitfalls of statistical wave representations.

    PubMed

    Murphy, Kyle R; Mann, Ian R; Rae, I Jonathan; Sibeck, David G; Watt, Clare E J

    2016-08-01

    Wave-particle interactions play a crucial role in energetic particle dynamics in the Earth's radiation belts. However, the relative importance of different wave modes in these dynamics is poorly understood. Typically, this is assessed during geomagnetic storms using statistically averaged empirical wave models as a function of geomagnetic activity in advanced radiation belt simulations. However, statistical averages poorly characterize extreme events such as geomagnetic storms in that storm-time ultralow frequency wave power is typically larger than that derived over a solar cycle and Kp is a poor proxy for storm-time wave power.

  8. Accurately characterizing the importance of wave‐particle interactions in radiation belt dynamics: The pitfalls of statistical wave representations

    PubMed Central

    Mann, Ian R.; Rae, I. Jonathan; Sibeck, David G.; Watt, Clare E. J.

    2016-01-01

    Abstract Wave‐particle interactions play a crucial role in energetic particle dynamics in the Earth's radiation belts. However, the relative importance of different wave modes in these dynamics is poorly understood. Typically, this is assessed during geomagnetic storms using statistically averaged empirical wave models as a function of geomagnetic activity in advanced radiation belt simulations. However, statistical averages poorly characterize extreme events such as geomagnetic storms in that storm‐time ultralow frequency wave power is typically larger than that derived over a solar cycle and Kp is a poor proxy for storm‐time wave power. PMID:27867798

  9. Accurately characterizing the importance of wave-particle interactions in radiation belt dynamics: The pitfalls of statistical wave representations

    NASA Astrophysics Data System (ADS)

    Murphy, Kyle R.; Mann, Ian R.; Rae, I. Jonathan; Sibeck, David G.; Watt, Clare E. J.

    2016-08-01

    Wave-particle interactions play a crucial role in energetic particle dynamics in the Earth's radiation belts. However, the relative importance of different wave modes in these dynamics is poorly understood. Typically, this is assessed during geomagnetic storms using statistically averaged empirical wave models as a function of geomagnetic activity in advanced radiation belt simulations. However, statistical averages poorly characterize extreme events such as geomagnetic storms in that storm-time ultralow frequency wave power is typically larger than that derived over a solar cycle and Kp is a poor proxy for storm-time wave power.

  10. Charge Central Interpretation of the Full Nonlinear PB Equation: Implications for Accurate and Scalable Modeling of Solvation Interactions.

    PubMed

    Xiao, Li; Wang, Changhao; Ye, Xiang; Luo, Ray

    2016-08-25

    Continuum solvation modeling based upon the Poisson-Boltzmann equation (PBE) is widely used in structural and functional analysis of biomolecules. In this work, we propose a charge-central interpretation of the full nonlinear PBE electrostatic interactions. The validity of the charge-central view or simply charge view, as formulated as a vacuum Poisson equation with effective charges, was first demonstrated by reproducing both electrostatic potentials and energies from the original solvated full nonlinear PBE. There are at least two benefits when the charge-central framework is applied. First the convergence analyses show that the use of polarization charges allows a much faster converging numerical procedure for electrostatic energy and forces calculation for the full nonlinear PBE. Second, the formulation of the solvated electrostatic interactions as effective charges in vacuum allows scalable algorithms to be deployed for large biomolecular systems. Here, we exploited the charge-view interpretation and developed a particle-particle particle-mesh (P3M) strategy for the full nonlinear PBE systems. We also studied the accuracy and convergence of solvation forces with the charge-view and the P3M methods. It is interesting to note that the convergence of both the charge-view and the P3M methods is more rapid than the original full nonlinear PBE method. Given the developments and validations documented here, we are working to adapt the P3M treatment of the full nonlinear PBE model to molecular dynamics simulations.

  11. Revealing the Effect of Protein Weak Adsorption to Nanoparticles on the Interaction between the Desorbed Protein and its Binding Partner by Surface-Enhanced Infrared Spectroelectrochemistry.

    PubMed

    Liu, Li; Zeng, Li; Wu, Lie; Jiang, Xiue

    2017-03-07

    In recent years, the properties of protein corona have attracted intense interest in the field of nanobio interface, but a long-ignored research issue is how the desorbed proteins suffering from conformational change upon weak association with nanoparticles affect their functional properties when further interacting with their downstream protein partners. In this Article, surface-enhanced infrared absorption spectroscopy (SEIRAS) and electrochemical cyclic voltammetry were used to study the adsorption and redox properties of the soluble cytochrome c (cyt c) on 11-mercaptoundecanoic acid (MUA) self-assembled monolayer (SAM) after weakly binding to and then desorbed from nano-TiO2. For the first time, our study reveals that the weak interaction between cyt c and nano-TiO2 induces the protein to undergo a heterogeneous conformational change. More importantly, the cyt c with a largely unfolded conformation exhibits a weaker interaction with its binding partner mimics than the native-like cyt c but a faster adsorption rate even at a concentration that is much lower than that of native-like cyt c. Correspondingly, the cyt c with a large unfolding shows a greatly positive-shifted formal potential (Ef) relative to the native-like protein possibly due to the disruption of the pocket structure of heme in the vicinity of Met80. These properties could enable the largely unfolded cyt c to undergo a favorable binding but an unavailable electron transfer to cytochrome c oxidase even in the presence of high-concentration native cyt c, probably causing the disruption of electron flow.

  12. Influence of long-term social interaction on chirping behavior, steroid levels and neurogenesis in weakly electric fish

    PubMed Central

    Dunlap, Kent D.; Chung, Michael; Castellano, James F.

    2013-01-01

    Summary Social interactions dramatically affect the brain and behavior of animals. Studies in birds and mammals indicate that socially induced changes in adult neurogenesis participate in the regulation of social behavior, but little is known about this relationship in fish. Here, we review studies in electric fish (Apteronotus leptorhychus) that link social stimulation, changes in electrocommunication behavior and adult neurogenesis in brain regions associated with electrocommunication. Compared with isolated fish, fish living in pairs have greater production of chirps, an electrocommunication signal, during dyadic interactions and in response to standardized artificial social stimuli. Social interaction also promotes neurogenesis in the periventricular zone, which contributes born cells to the prepacemaker nucleus, the brain region that regulates chirping. Both long-term chirp rate and periventricular cell addition depend on the signal dynamics (amplitude and waveform variation), modulations (chirps) and novelty of the stimuli from the partner fish. Socially elevated cortisol levels and cortisol binding to glucocorticoid receptors mediate, at least in part, the effect of social interaction on chirping behavior and brain cell addition. In a closely related electric fish (Brachyhypopomus gauderio), social interaction enhances cell proliferation specifically in brain regions for electrocommunication and only during the breeding season, when social signaling is most elaborate. Together, these studies demonstrate a consistent correlation between brain cell addition and environmentally regulated chirping behavior across many social and steroidal treatments and suggest a causal relationship. PMID:23761468

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

    PubMed

    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.

  14. Low energy weak interactions and decays. [Partial summary of presentations at XXth International Conf. on High Energy Physics, Madison, Wisc. , July 17-23, 1980

    SciTech Connect

    Trilling, G.H.

    1980-09-01

    Results presented during sessions B5 to 7 at the XXth International Conference on High Energy Physics (University of Wisconsin, Madison, July 17 to 23, 1980) are discussed. Essentially all the material presented is summarized. The sessions covered various aspects of low-energy weak interactions. The following topics are addressed: CP-invariance violation, high-statistics study of ..lambda.. beta decay, parity violation in proton-nucleus scattering at 6 GeV/c, new results on the tau, charm particle decays (direct lifetime determinations, semileptonic branching ratios, comparison of semileptonic rate with theoretical expectations, further study of charm meson decays, F decays), and neutrino oscillations. 6 figures, 9 tables. (RWR)

  15. Fast and accurate multivariate Gaussian modeling of protein families: predicting residue contacts and protein-interaction partners.

    PubMed

    Baldassi, Carlo; Zamparo, Marco; Feinauer, Christoph; Procaccini, Andrea; Zecchina, Riccardo; Weigt, Martin; Pagnani, Andrea

    2014-01-01

    In the course of evolution, proteins show a remarkable conservation of their three-dimensional structure and their biological function, leading to strong evolutionary constraints on the sequence variability between homologous proteins. Our method aims at extracting such constraints from rapidly accumulating sequence data, and thereby at inferring protein structure and function from sequence information alone. Recently, global statistical inference methods (e.g. direct-coupling analysis, sparse inverse covariance estimation) have achieved a breakthrough towards this aim, and their predictions have been successfully implemented into tertiary and quaternary protein structure prediction methods. However, due to the discrete nature of the underlying variable (amino-acids), exact inference requires exponential time in the protein length, and efficient approximations are needed for practical applicability. Here we propose a very efficient multivariate Gaussian modeling approach as a variant of direct-coupling analysis: the discrete amino-acid variables are replaced by continuous Gaussian random variables. The resulting statistical inference problem is efficiently and exactly solvable. We show that the quality of inference is comparable or superior to the one achieved by mean-field approximations to inference with discrete variables, as done by direct-coupling analysis. This is true for (i) the prediction of residue-residue contacts in proteins, and (ii) the identification of protein-protein interaction partner in bacterial signal transduction. An implementation of our multivariate Gaussian approach is available at the website http://areeweb.polito.it/ricerca/cmp/code.

  16. Learning to write without writing: writing accurate descriptions of interactions after learning graph-printed description relations.

    PubMed

    Spear, Jack; Fields, Lanny

    2015-12-01

    Interpreting and describing complex information shown in graphs are essential skills to be mastered by students in many disciplines; both are skills that are difficult to learn. Thus, interventions that produce these outcomes are of great value. Previous research showed that conditional discrimination training that established stimulus control by some elements of graphs and their printed descriptions produced some improvement in the accuracy of students' written descriptions of graphs. In the present experiment, students wrote nearly perfect descriptions of the information conveyed in interaction-based graphs after the establishment of conditional relations between graphs and their printed descriptions. This outcome was achieved with the use of special conditional discrimination training procedures that required participants to attend to many of the key elements of the graphs and the phrases in the printed descriptions that corresponded to the elements in the graphs. Thus, students learned to write full descriptions of the information represented by complex graphs by an automated training procedure that did not involve the direct training of writing.

  17. A Novel Approach in the Weakly Interacting Massive Particle Quest: Cross-correlation of Gamma-Ray Anisotropies and Cosmic Shear

    NASA Astrophysics Data System (ADS)

    Camera, Stefano; Fornasa, Mattia; Fornengo, Nicolao; Regis, Marco

    2013-07-01

    Both cosmic shear and cosmological gamma-ray emission stem from the presence of dark matter (DM) in the universe: DM structures are responsible for the bending of light in the weak-lensing regime and those same objects can emit gamma rays, either because they host astrophysical sources (active galactic nuclei or star-forming galaxies) or directly by DM annihilations (or decays, depending on the properties of the DM particle). Such gamma rays should therefore exhibit strong correlation with the cosmic shear signal. In this Letter, we compute the cross-correlation angular power spectrum of cosmic shear and gamma rays produced by the annihilation/decay of weakly interacting massive particle DM, as well as by astrophysical sources. We show that this observable provides novel information on the composition of the extragalactic gamma-ray background (EGB), since the amplitude and shape of the cross-correlation signal strongly depend on which class of sources is responsible for the gamma-ray emission. If the DM contribution to the EGB is significant (at least in a definite energy range), although compatible with current observational bounds, its strong correlation with the cosmic shear makes such signal potentially detectable by combining Fermi Large Area Telescope data with forthcoming galaxy surveys, like the Dark Energy Survey and Euclid. At the same time, the same signal would demonstrate that the weak-lensing observables are indeed due to particle DM matter and not to possible modifications of general relativity.

  18. A NOVEL APPROACH IN THE WEAKLY INTERACTING MASSIVE PARTICLE QUEST: CROSS-CORRELATION OF GAMMA-RAY ANISOTROPIES AND COSMIC SHEAR

    SciTech Connect

    Camera, Stefano; Fornasa, Mattia; Fornengo, Nicolao; Regis, Marco

    2013-07-01

    Both cosmic shear and cosmological gamma-ray emission stem from the presence of dark matter (DM) in the universe: DM structures are responsible for the bending of light in the weak-lensing regime and those same objects can emit gamma rays, either because they host astrophysical sources (active galactic nuclei or star-forming galaxies) or directly by DM annihilations (or decays, depending on the properties of the DM particle). Such gamma rays should therefore exhibit strong correlation with the cosmic shear signal. In this Letter, we compute the cross-correlation angular power spectrum of cosmic shear and gamma rays produced by the annihilation/decay of weakly interacting massive particle DM, as well as by astrophysical sources. We show that this observable provides novel information on the composition of the extragalactic gamma-ray background (EGB), since the amplitude and shape of the cross-correlation signal strongly depend on which class of sources is responsible for the gamma-ray emission. If the DM contribution to the EGB is significant (at least in a definite energy range), although compatible with current observational bounds, its strong correlation with the cosmic shear makes such signal potentially detectable by combining Fermi Large Area Telescope data with forthcoming galaxy surveys, like the Dark Energy Survey and Euclid. At the same time, the same signal would demonstrate that the weak-lensing observables are indeed due to particle DM matter and not to possible modifications of general relativity.

  19. ElVis: A System for the Accurate and Interactive Visualization of High-Order Finite Element Solutions.

    PubMed

    Nelson, B; Liu, E; Kirby, R M; Haimes, R

    2012-12-01

    This paper presents the Element Visualizer (ElVis), a new, open-source scientific visualization system for use with high-order finite element solutions to PDEs in three dimensions. This system is designed to minimize visualization errors of these types of fields by querying the underlying finite element basis functions (e.g., high-order polynomials) directly, leading to pixel-exact representations of solutions and geometry. The system interacts with simulation data through runtime plugins, which only require users to implement a handful of operations fundamental to finite element solvers. The data in turn can be visualized through the use of cut surfaces, contours, isosurfaces, and volume rendering. These visualization algorithms are implemented using NVIDIA's OptiX GPU-based ray-tracing engine, which provides accelerated ray traversal of the high-order geometry, and CUDA, which allows for effective parallel evaluation of the visualization algorithms. The direct interface between ElVis and the underlying data differentiates it from existing visualization tools. Current tools assume the underlying data is composed of linear primitives; high-order data must be interpolated with linear functions as a result. In this work, examples drawn from aerodynamic simulations-high-order discontinuous Galerkin finite element solutions of aerodynamic flows in particular-will demonstrate the superiority of ElVis' pixel-exact approach when compared with traditional linear-interpolation methods. Such methods can introduce a number of inaccuracies in the resulting visualization, making it unclear if visual artifacts are genuine to the solution data or if these artifacts are the result of interpolation errors. Linear methods additionally cannot properly visualize curved geometries (elements or boundaries) which can greatly inhibit developers' debugging efforts. As we will show, pixel-exact visualization exhibits none of these issues, removing the visualization scheme as a source of

  20. Observation of a C-H\\cdotsAROMATIC Interaction in the FLUOROBENZENE\\cdotsHCCH Weakly Bound Complex

    NASA Astrophysics Data System (ADS)

    Ulrich, Nathan W.; Peebles, Sean A.; Peebles, Rebecca A.; Dhahir, Yasser J.; Seifert, Nathan A.; Perez, Cristobal; Pate, Brooks H.

    2013-06-01

    Chirped-pulse Fourier-transform microwave (CP-FTMW) spectroscopy has been used to determine the structure of the C_6H_5F\\cdotsHCCH weakly bound complex. Assignment of spectra for the parent and all six unique ^{13}C isotopologues in natural abundance has allowed a full structure determination, using both Kraitchman substitution and least-squares methods. The acetylene lies nearly perpendicular to the fluorobenzene ring, approximately above the ring center, and in the dimer ab symmetry plane. There is a slight tilt of the hydrogen atom nearest the fluorobenzene away from the carbon atom bonded to the fluorine. The distance between the centers of mass of the two monomers is approximately 4.18(1)Å, with C-H\\cdotsC distances of between 2.81(1)Å and 2.92(1)Å. The experimentally determined structure is in reasonable agreement with the minimum energy configuration from an MP2/6-311++G(2d,2p) ab initio calculation. Comparison will also be made with similar complexes of aromatic compounds with potential hydrogen bond donors.

  1. A Comprehensive Analysis of Jet Quenching via a Hybrid Strong/Weak Coupling Model for Jet-Medium Interactions

    NASA Astrophysics Data System (ADS)

    Casalderrey-Solana, Jorge; Gulhan, Doga Can; Milhano, José Guilherme; Pablos, Daniel; Rajagopal, Krishna

    2016-12-01

    Within a hybrid strong/weak coupling model for jets in strongly coupled plasma, we explore jet modifications in ultra-relativistic heavy ion collisions. Our approach merges the perturbative dynamics of hard jet evolution with the strongly coupled dynamics which dominates the soft exchanges between the fast partons in the jet shower and the strongly coupled plasma itself. We implement this approach in a Monte Carlo, which supplements the DGLAP shower with the energy loss dynamics as dictated by holographic computations, up to a single free parameter that we fit to data. We then augment the model by incorporating the transverse momentum picked up by each parton in the shower as it propagates through the medium, at the expense of adding a second free parameter. We use this model to discuss the influence of the transverse broadening of the partons in a jet on intra-jet observables. In addition, we explore the sensitivity of such observables to the back-reaction of the plasma to the passage of the jet.

  2. Freely decaying weak turbulence for sea surface gravity waves.

    PubMed

    Onorato, M; Osborne, A R; Serio, M; Resio, D; Pushkarev, A; Zakharov, V E; Brandini, C

    2002-09-30

    We study the long-time evolution of deep-water ocean surface waves in order to better understand the behavior of the nonlinear interaction processes that need to be accurately predicted in numerical models of wind-generated ocean surface waves. Of particular interest are those nonlinear interactions which are predicted by weak turbulence theory to result in a wave energy spectrum of the form of [k](-2.5). We numerically implement the primitive Euler equations for surface waves and demonstrate agreement between weak turbulence theory and the numerical results.

  3. 4-Component correlated all-electron study on Eka-actinium Fluoride (E121F) including Gaunt interaction: Accurate analytical form, bonding and influence on rovibrational spectra

    NASA Astrophysics Data System (ADS)

    Amador, Davi H. T.; de Oliveira, Heibbe C. B.; Sambrano, Julio R.; Gargano, Ricardo; de Macedo, Luiz Guilherme M.

    2016-10-01

    A prolapse-free basis set for Eka-Actinium (E121, Z = 121), numerical atomic calculations on E121, spectroscopic constants and accurate analytical form for the potential energy curve of diatomic E121F obtained at 4-component all-electron CCSD(T) level including Gaunt interaction are presented. The results show a strong and polarized bond (≈181 kcal/mol in strength) between E121 and F, the outermost frontier molecular orbitals from E121F should be fairly similar to the ones from AcF and there is no evidence of break of periodic trends. Moreover, the Gaunt interaction, although small, is expected to influence considerably the overall rovibrational spectra.

  4. Search for low-mass weakly interacting massive particles using voltage-assisted calorimetric ionization detection in the SuperCDMS experiment.

    PubMed

    Agnese, R; Anderson, A J; Asai, M; Balakishiyeva, D; Basu Thakur, R; Bauer, D A; Billard, J; Borgland, A; Bowles, M A; Brandt, D; Brink, P L; Bunker, R; Cabrera, B; Caldwell, D O; Cerdeno, D G; Chagani, H; Cooley, J; Cornell, B; Crewdson, C H; Cushman, P; Daal, M; Di Stefano, P C F; Doughty, T; Esteban, L; Fallows, S; Figueroa-Feliciano, E; Godfrey, G L; Golwala, S R; Hall, J; Harris, H R; Hertel, S A; Hofer, T; Holmgren, D; Hsu, L; Huber, M E; Jastram, A; Kamaev, O; Kara, B; Kelsey, M H; Kennedy, A; Kiveni, M; Koch, K; Loer, B; Lopez Asamar, E; Mahapatra, R; Mandic, V; Martinez, C; McCarthy, K A; Mirabolfathi, N; Moffatt, R A; Moore, D C; Nadeau, P; Nelson, R H; Page, K; Partridge, R; Pepin, M; Phipps, A; Prasad, K; Pyle, M; Qiu, H; Rau, W; Redl, P; Reisetter, A; Ricci, Y; Saab, T; Sadoulet, B; Sander, J; Schneck, K; Schnee, R W; Scorza, S; Serfass, B; Shank, B; Speller, D; Villano, A N; Welliver, B; Wright, D H; Yellin, S; Yen, J J; Young, B A; Zhang, J

    2014-01-31

    SuperCDMS is an experiment designed to directly detect weakly interacting massive particles (WIMPs), a favored candidate for dark matter ubiquitous in the Universe. In this Letter, we present WIMP-search results using a calorimetric technique we call CDMSlite, which relies on voltage-assisted Luke-Neganov amplification of the ionization energy deposited by particle interactions. The data were collected with a single 0.6 kg germanium detector running for ten live days at the Soudan Underground Laboratory. A low energy threshold of 170  eVee (electron equivalent) was obtained, which allows us to constrain new WIMP-nucleon spin-independent parameter space for WIMP masses below 6  GeV/c2.

  5. A Search for Low-Mass Weakly Interacting Massive Particles Using Voltage-Assisted Calorimetric Ionization Detection in the SuperCDMS Experiment

    SciTech Connect

    Agnese, R.; Anderson, A. J.; Asai, M.; Balakishiyeva, D.; Basu Thakur, R.; Bauer, D. A.; Billard, J.; Borgland, A.; Bowles, M. A.; Brandt, D.; Brink, P. L.; Bunker, R.; Cabrera, B.; Caldwell, D. O.; Cerdeno, D. G.; Chagani, H.; Cooley, J.; Cornell, B.; Crewdson, C. H.; Cushman, Priscilla B.; Daal, M.; Di Stefano, P. C.; Doughty, T.; Esteban, L.; Fallows, S.; Figueroa-Feliciano, E.; Godfrey, G. L.; Golwala, S. R.; Hall, Jeter C.; Harris, H. R.; Hertel, S. A.; Hofer, T.; Holmgren, D.; Hsu, L.; Huber, M. E.; Jastram, A.; Kamaev, O.; Kara, B.; Kelsey, M. H.; Kennedy, A.; Kiveni, M.; Koch, K.; Loer, B.; Lopez Asamar, E.; Mahapatra, R.; Mandic, V.; Martinez, C.; McCarthy, K. A.; Mirabolfathi, N.; Moffatt, R. A.; Moore, D. C.; Nadeau, P.; Nelson, R. H.; Page, K.; Partridge, R.; Pepin, M.; Phipps, A.; Prasad, K.; Pyle, M.; Qiu, H.; Rau, W.; Redi, P.; Reisetter, A.; Ricci, Y.; Saab, T.; Sadoulet, B.; Sander, J.; Schneck, K.; Schnee, Richard; Scorza, S.; Serfass, B.; Shank, B.; Speller, D.; Villano, A. N.; Welliver, B.; Wright, D. H.; Yellin, S.; Yen, J. J.; Young, B. A.; Zhang, J.

    2014-01-27

    SuperCDMS is an experiment designed to directly detect weakly interacting massive particles (WIMPs), a favored candidate for dark matter ubiquitous in the Universe. In this Letter, we present WIMP-search results using a calorimetric technique we call CDMSlite, which relies on voltage-assisted Luke-Neganov amplification of the ionization energy deposited by particle interactions. The data were collected with a single 0.6 kg germanium detector running for ten live days at the Soudan Underground Laboratory. A low energy threshold of (electron equivalent) was obtained, which allows us to constrain new WIMP-nucleon spin-independent parameter space for WIMP masses below 6 GeV/c2.

  6. Search for Low-Mass Weakly Interacting Massive Particles Using Voltage-Assisted Calorimetric Ionization Detection in the SuperCDMS Experiment

    SciTech Connect

    Agnese, R.; Anderson, A. J.; Asai, M.; Balakishiyeva, D.; Basu Thakur, R.; Bauer, D. A.; Billard, J.; Borgland, A.; Bowles, M. A.; Brandt, D.; Brink, P. L.; Bunker, R.; Cabrera, B.; Caldwell, D. O.; Cerdeno, D. G.; Chagani, H.; Cooley, J.; Cornell, B.; Crewdson, C. H.; Cushman, P.; Daal, M.; Di Stefano, P. C. F.; Doughty, T.; Esteban, L.; Fallows, S.; Figueroa-Feliciano, E.; Godfrey, G. L.; Golwala, S. R.; Hall, J.; Harris, H. R.; Hertel, S. A.; Hofer, T.; Holmgren, D.; Hsu, L.; Huber, M. E.; Jastram, A.; Kamaev, O.; Kara, B.; Kelsey, M. H.; Kennedy, A.; Kiveni, M.; Koch, K.; Loer, B.; Lopez Asamar, E.; Mahapatra, R.; Mandic, V.; Martinez, C.; McCarthy, K. A.; Mirabolfathi, N.; Moffatt, R. A.; Moore, D. C.; Nadeau, P.; Nelson, R. H.; Page, K.; Partridge, R.; Pepin, M.; Phipps, A.; Prasad, K.; Pyle, M.; Qiu, H.; Rau, W.; Redl, P.; Reisetter, A.; Ricci, Y.; Saab, T.; Sadoulet, B.; Sander, J.; Schneck, K.; Schnee, R. W.; Scorza, S.; Serfass, B.; Shank, B.; Speller, D.; Villano, A. N.; Welliver, B.; Wright, D. H.; Yellin, S.; Yen, J. J.; Young, B. A.; Zhang, J.

    2014-01-01

    SuperCDMS is an experiment designed to directly detect Weakly Interacting Massive Particles (WIMPs), a favored candidate for dark matter ubiquitous in the Universe. In this paper, we present WIMP-search results using a calorimetric technique we call CDMSlite, which relies on voltage- assisted Luke-Neganov amplification of the ionization energy deposited by particle interactions. The data were collected with a single 0.6 kg germanium detector running for 10 live days at the Soudan Underground Laboratory. A low energy threshold of 170 eVee (electron equivalent) was obtained, which allows us to constrain new WIMP-nucleon spin-independent parameter space for WIMP masses below 6 GeV/c2.

  7. Weak forces at work in dye-loaded zeolite materials: spectroscopic investigation on cation-sulfur interactions.

    PubMed

    Macchi, Giorgio; Botta, Chiara; Calzaferri, Gion; Catti, Michele; Cornil, Jérôme; Gierschner, Johannes; Meinardi, Francesco; Tubino, Riccardo

    2010-03-20

    The interaction between sulfur-containing chromophores and cationic species (K(+)) has been investigated in dye-loaded zeolite materials by means of photoluminescence spectroscopy. A red-shift in the emission spectra of the host-guest compounds (HGCs) has been detected and unambiguously connected to the close proximity between a conjugated moiety and nearby free charges, suggesting a specific role played by sulfur lone pair electrons. Quantum-chemical calculations on model compounds have been performed to support this hypothesis.

  8. A discrete-forcing immersed boundary method with a semi-implicit predictor for weakly-coupled fluid-structure interaction

    NASA Astrophysics Data System (ADS)

    Kim, Woojin; Lee, Injae; Choi, Haecheon

    2015-11-01

    We present a weak coupling approach for the fluid-structure interaction using a discrete-forcing immersed boundary method. The incompressible Navier-Stokes equations and the motion of a solid body are based on the Eulerian and Lagrangian coordinates, respectively. A semi-implicit Euler method is applied to the governing equation of a solid body for obtaining provisional position and velocity of a solid body prior to implicitly solving each governing equation. Then, both equations are implicitly solved to obtain a sufficiently large computational time step size. The present weak-coupling approach shows a second-order temporal accuracy and stable solutions for the problems with a low density ratio (fluid to solid) without requiring an iterative method. With the present method, we simulate several fluid-structure interaction problems including the flows around a freely vibrating circular cylinder, a flexible beam attached to a circular cylinder, a flapping flag, a flexible plate, and an elastic vocal fold. The results obtained agree well with those from previous studies. All the simulations are conducted at maximum CFL numbers of 1.0-1.5. Supported by NRF-2012M2A8A4055647 and NRF-2014M3C1B1033848.

  9. Influence of para substituents in controlling photophysical behavior and different non-covalent weak interactions in zinc complexes of a phenol based "end-off" compartmental ligand.

    PubMed

    Chakraborty, Prateeti; Adhikary, Jaydeep; Samanta, Sugata; Majumder, Ishani; Massera, Chiara; Escudero, Daniel; Ghosh, Sanjib; Bauza, Antonio; Frontera, Antonio; Das, Debasis

    2015-12-14

    Three dinuclear zinc(II) complexes with "end-off" compartmental ligands, namely 2,6-bis(N-ethylmorpholine-iminomethyl)-4-R-phenol (R = -CH3, Cl, (t)Bu) have been synthesized with the aim of exploring the role of the para substituent present in the ligand backbone in controlling the structural diversity, photophysical properties and different weak interactions of the complexes. All three species, with the general formula {2[Zn2L(CH3COO)2][Zn(NCS)4]}, show the complex anion Zn(NCS)4(2-) as a common structural feature decisive for crystallization. Interestingly, all of them possess several non-covalent weak interactions where the nature of the "R" group plays an essential role as exposed by DFT study. Besides exhibiting fluorescence behavior, the complexes also show para substitution controlled phosphorescence both at room and low temperature. Anisotropy studies suggest the existence of complexes 2 and 3 as dimers in solution. The origins of the unusual room temperature phosphorescence and fluorescence behavior of the complexes have been rationalized in the light of theoretical calculations.

  10. Weakly supervised glasses removal

    NASA Astrophysics Data System (ADS)

    Wang, Zhicheng; Zhou, Yisu; Wen, Lijie

    2015-03-01

    Glasses removal is an important task on face recognition, in this paper, we provide a weakly supervised method to remove eyeglasses from an input face image automatically. We choose sparse coding as face reconstruction method, and optical flow to find exact shape of glasses. We combine the two processes iteratively to remove glasses more accurately. The experimental results reveal that our method works much better than these algorithms alone, and it can remove various glasses to obtain natural looking glassless facial images.

  11. Fully relativistic ab initio calculations of the energies of chiral molecules including parity-violating weak interactions

    NASA Astrophysics Data System (ADS)

    Laerdahl, Jon K.; Schwerdtfeger, Peter

    1999-12-01

    The parity-odd perturbation operator for the inelastic electron-nucleon scattering by weak neutral currents (exchange of virtual Z0 bosons) has been implemented into a fully relativistic four-component Dirac-Hartree-Fock scheme. Dirac-Hartree-Fock electronic structure calculations on H2O2, H2S2, H2Se2, H2Te2, and H2Po2 provides a demonstration of the higher than Z5 scaling of the parity-violating energy shift (Z is the nuclear charge) in chiral molecules. To our knowledge, the calculations for H2Te2 and H2Po2 are the first for molecules containing heavy elements from period 5 or 6 of the Periodic Table, and the parity-violating energy shifts are some of the highest reported in any ab initio study. It has been shown that special care is needed in the basis set expansion of the wave function because of the coupling between the large and small components of the Dirac wave function through the γ5 matrix. Estimates of the remaining errors in the calculations have been given. A comparison with the calculated parity-violating energy shift of H2TeO have confirmed the importance of the single-center theorem, which states that the parity-violating energy shift is suppressed in molecules containing only a single heavy atomic center. Due to the close correspondence between parity-violating energy shifts and observable parity-odd properties, our results have important consequences for the current search for an experimental confirmation of parity-odd effects in molecular physics: (i) The experiments should be performed on molecules containing heavy (period 5 or 6) elements. (ii) Molecules with more than one heavy atomic center will be extremely favorable due to the single-center theorem.

  12. A new equation of state with light nuclei and their weak interactions in core-collapse supernova simulations

    SciTech Connect

    Furusawa, Shun; Yamada, Shoichi; Nagakura, Hiroki; Sumiyoshi, Kohsuke; Suzuki, Hideyuki

    2014-05-02

    We perform numerical experiments to investigate the influence of inelastic neutrino reactions with light nuclei on the standing accretion shock instability. The time evolutions of shock waves are calculated with a simple light-bulb approximation for the neutrino transport and a multi-nuclei equation of state. The neutrino absorptions and inelastic interactions with deuterons, tritons, helions and alpha particles are taken into account in the hydrodynamical simulations in addition to the ordinary charged-current interactions with nucleons. Axial symmetry is assumed but no equatorial symmetry is imposed. We show that the heating rates of deuterons reach as high as ∼ 10% of those of nucleons around the bottom of the gain region. On the other hands, alpha particles heat the matter near the shock wave, which is important when the shock wave expands and density and temperature of matter become low. It is also found that the models with heating by light nuclei have different evolutions from those without it in non-linear evolution phase. The matter in the gain region has various densities and temperatures and there appear regions that are locally rich in deuterons and alpha particles. These results indicate that the inelastic reactions of light nuclei, especially deuterons, should be incorporated in the simulations of core-collapse supernovae.

  13. A new equation of state with light nuclei and their weak interactions in core-collapse supernova simulations

    NASA Astrophysics Data System (ADS)

    Furusawa, Shun; Nagakura, Hiroki; Sumiyoshi, Kohsuke; Yamada, Shoichi; Suzuki, Hideyuki

    2014-05-01

    We perform numerical experiments to investigate the influence of inelastic neutrino reactions with light nuclei on the standing accretion shock instability. The time evolutions of shock waves are calculated with a simple light-bulb approximation for the neutrino transport and a multi-nuclei equation of state. The neutrino absorptions and inelastic interactions with deuterons, tritons, helions and alpha particles are taken into account in the hydrodynamical simulations in addition to the ordinary charged-current interactions with nucleons. Axial symmetry is assumed but no equatorial symmetry is imposed. We show that the heating rates of deuterons reach as high as ˜ 10% of those of nucleons around the bottom of the gain region. On the other hands, alpha particles heat the matter near the shock wave, which is important when the shock wave expands and density and temperature of matter become low. It is also found that the models with heating by light nuclei have different evolutions from those without it in non-linear evolution phase. The matter in the gain region has various densities and temperatures and there appear regions that are locally rich in deuterons and alpha particles. These results indicate that the inelastic reactions of light nuclei, especially deuterons, should be incorporated in the simulations of core-collapse supernovae.

  14. An interaction study in mammalian cells demonstrates weak binding of HSPB2 to BAG3, which is regulated by HSPB3 and abrogated by HSPB8.

    PubMed

    Morelli, Federica F; Mediani, Laura; Heldens, Lonneke; Bertacchini, Jessika; Bigi, Ilaria; Carrà, Arianna Dorotea; Vinet, Jonathan; Carra, Serena

    2017-02-08

    The ten mammalian small heat shock proteins (sHSPs/HSPBs) show a different expression profile, although the majority of them are abundant in skeletal and cardiac muscles. HSPBs form hetero-oligomers and homo-oligomers by interacting together and complexes containing, e.g., HSPB2/HSPB3 or HSPB1/HSPB5 have been documented in mammalian cells and muscles. Moreover, HSPB8 associates with the Hsc70/Hsp70 co-chaperone BAG3, in mammalian, skeletal, and cardiac muscle cells. Interaction of HSPB8 with BAG3 regulates its stability and function. Weak association of HSPB5 and HSPB6 with BAG3 has been also reported upon overexpression in cells, supporting the idea that BAG3 might indirectly modulate the function of several HSPBs. However, it is yet unknown whether other HSPBs highly expressed in muscles such as HSPB2 and HSPB3 also bind to BAG3. Here, we report that in mammalian cells, upon overexpression, HSPB2 binds to BAG3 with an affinity weaker than HSPB8. HSPB2 competes with HSPB8 for binding to BAG3. In contrast, HSPB3 negatively regulates HSPB2 association with BAG3. In human myoblasts that express HSPB2, HSPB3, HSPB8, and BAG3, the latter interacts selectively with HSPB8. Combining these data, it supports the interpretation that HSPB8-BAG3 is the preferred interaction.

  15. Weak-coupling instabilities of SU(N) fermions on the Bernal-stacked honeycomb bilayer in presence of on-site Hubbard Interactions

    NASA Astrophysics Data System (ADS)

    Pujari, Sumiran; Lang, Thomas C.; Kaul, Ribhu K.

    Bernal-stacked bilayer graphene hosts an interesting 'non-relativistic' semi-metallic dispersion different from monolayer graphene. At this quadratic band touching, short-range interactions are marginal and hence cause instabilities to a variety of ground states. In this work we consider the instabilities of even N species of fermions on the Bernal bilayer with an SU (N) -symmetric contact interaction. For SU (2) fermions with an on-site Hubbard interaction the ground state has been found to be to a magnetic Néel state for all strengths of the interaction. In contrast, the leading weak coupling instability for N > 2 is a non-magnetic ground state, which is gapped and odd under time reversal. On the other hand, at strong coupling we expect Néel or VBS ground states of the effective self-conjugate SU (N) spin models. Motivated by this observation, we investigate the phase diagram for even N > 2 using determinantal quantum Monte Carlo computations. Support from NSF Grant DMR-1056536 and XSEDE Grant DMR-150037.

  16. Structure and stability of weakly chemisorbed ethene adsorbed on low-index Cu surfaces: performance of density functionals with van der Waals interactions.

    PubMed

    Hanke, Felix; Dyer, Matthew S; Björk, Jonas; Persson, Mats

    2012-10-24

    We have investigated the performance of popular density functionals that include van der Waals interactions for the experimentally well-characterized problem of ethene (C(2)H(4)) adsorbed on the low-index surfaces of copper. This set of functionals does not only include three van der Waals density functionals-vdwDF-PBE, vdwDF-revPBE and optB86b-vdwDF-and two dispersion-corrected functionals-Grimme and TS-but also local and semi-local functionals such as LDA and PBE. The adsorption system of ethene on copper was chosen because it is a weakly chemisorbed system for which the vdW interactions are expected to give a significant contribution to the adsorption energy. Overall the density functionals that include vdW interactions increased substantially the adsorption energies compared to the PBE density functional but predicted the same adsorption sites and very similar C-C bonding distances except for two of the van der Waals functionals. The top adsorption site was predicted almost exclusively for all functionals on the (110), (100) and (111) surfaces, which is in agreement with experiment for the (110) surface but not for the (100) surface. On the (100) surface, all functionals except two van der Waals density functionals singled out the observed cross-hollow site from the calculated C-C bonding distances and adsorption heights. On the top sites on the (110) surface and the cross-hollow site on the Cu(100) surface, the ethene molecule was found to form a weak chemisorption bond. On the (111) surface, all functionals gave a C-C bonding distance and an adsorption height more typical for physisorption, in agreement with experiments.

  17. Composite weak bosons

    SciTech Connect

    Suzuki, M.

    1988-04-01

    Dynamical mechanism of composite W and Z is studied in a 1/N field theory model with four-fermion interactions in which global weak SU(2) symmetry is broken explicitly by electromagnetic interaction. Issues involved in such a model are discussed in detail. Deviation from gauge coupling due to compositeness and higher order loop corrections are examined to show that this class of models are consistent not only theoretically but also experimentally.

  18. Modulating weak intramolecular interactions through the formation of beryllium bonds: complexes between squaric acid and BeH2.

    PubMed

    Montero-Campillo, M Merced; Lamsabhi, Al Mokhtar; Mó, Otilia; Yáñez, Manuel

    2013-07-01

    The electronic structure of the two most stable isomers of squaric acid and their complexes with BeH2 were investigated at the B3LYP/6-311 + G(3df,2p)// B3LYP/6-31 + G(d,p) level of theory. Squaric acid forms rather strong beryllium bonds with BeH2, with binding energies of the order of 60 kJ mol(-1). The preferential sites for BeH2 attachment are the carbonyl oxygen atoms, but the global minima of the potential energy surfaces of both EZ and ZZ isomers are extra-stabilized through the formation of a BeH···HO dihydrogen bond. More importantly, analysis of the electron density of these complexes shows the existence of significant cooperative effects between the beryllium bond and the dihydrogen bond, with both becoming significantly reinforced. The charge transfer involved in the formation of the beryllium bond induces a significant electron density redistribution within the squaric acid subunit, affecting not only the carbonyl group interacting with the BeH2 moiety but significantly increasing the electron delocalization within the four membered ring. Accordingly the intrinsic properties of squaric acid become perturbed, as reflected in its ability to self-associate.

  19. Earth’s Interaction Region: Plasma-Neutral Interactions in the Weakly Ionized gas of Earth’s High Latitude Upper Atmosphere

    NASA Astrophysics Data System (ADS)

    Thayer, Jeffrey; Hsu, Vicki

    2015-04-01

    The high-latitude regions of Earth’s upper atmosphere are strongly influenced by plasma-neutral interactions. These interactions couple electrodynamic processes of the ionosphere with hydrodynamic processes of the more abundant thermosphere neutral gas, consequently connecting the high-latitude upper atmosphere to distant regions of the geoplasma environment. This produces a complex spatial and temporal interplay of competing processes that results in a myriad of physical and chemical responses and a rich array of neutral and plasma morphologies that constitute the high-latitude thermosphere and ionosphere. The altitude extent from the lower thermosphere to the upper ionosphere (90km - 1000km) can be considered Earth’s space-atmosphere interaction region - likened to the solar chromosphere’s interaction region where radiative processes and hydrodynamic waves from the dense lower atmosphere produce a cold lower boundary that quickly transitions over a few 100 kilometers to neutral and plasma temperatures that are five times hotter. A thousand or more kilometers further in altitude, Earth's upper atmosphere becomes a hot, collisionless, geomagnetically controlled protonosphere whose neutral and plasma population originates from the thermosphere and ionosphere. A grand challenge in the study of Earth’s interaction region is how the collision-dominated thermosphere/ionosphere system exchanges energy, mass and momentum with the collisionless magnetosphere. This talk will focus primarily on collision-dominated processes of the high-latitude ionosphere and the electromagnetic energy transfer processes that lead to frictional heating of ions and neutrals, and plasma instability phenomenon that leads to extreme electron heating. Observations of the ionosphere response to these processes will be illustrated using incoherent scatter radar measurements. Relevance to the solar chromosphere will be identified where appropriate and outstanding issues in Earth

  20. Spin-Dependent Weakly-Interacting-Massive-Particle-Nucleon Cross Section Limits from First Data of PandaX-II Experiment

    NASA Astrophysics Data System (ADS)

    Fu, Changbo; Cui, Xiangyi; Zhou, Xiaopeng; Chen, Xun; Chen, Yunhua; Fang, Deqing; Giboni, Karl; Giuliani, Franco; Han, Ke; Huang, Xingtao; Ji, Xiangdong; Ju, Yonglin; Lei, Siao; Li, Shaoli; Liu, Huaxuan; Liu, Jianglai; Ma, Yugang; Mao, Yajun; Ren, Xiangxiang; Tan, Andi; Wang, Hongwei; Wang, Jiming; Wang, Meng; Wang, Qiuhong; Wang, Siguang; Wang, Xuming; Wang, Zhou; Wu, Shiyong; Xiao, Mengjiao; Xie, Pengwei; Yan, Binbin; Yang, Yong; Yue, Jianfeng; Zhang, Hongguang; Zhang, Tao; Zhao, Li; Zhou, Ning; PandaX-II Collaboration

    2017-02-01

    New constraints are presented on the spin-dependent weakly-interacting-massive-particle- (WIMP-)nucleon interaction from the PandaX-II experiment, using a data set corresponding to a total exposure of 3.3 ×104 kg day . Assuming a standard axial-vector spin-dependent WIMP interaction with Xe 129 and Xe 131 nuclei, the most stringent upper limits on WIMP-neutron cross sections for WIMPs with masses above 10 GeV /c2 are set in all dark matter direct detection experiments. The minimum upper limit of 4.1 ×10-41 cm2 at 90% confidence level is obtained for a WIMP mass of 40 GeV /c2 . This represents more than a factor of 2 improvement on the best available limits at this and higher masses. These improved cross-section limits provide more stringent constraints on the effective WIMP-proton and WIMP-neutron couplings.

  1. Structural Insight into Specificity of Interactions between Nonconventional Three-finger Weak Toxin from Naja kaouthia (WTX) and Muscarinic Acetylcholine Receptors*

    PubMed Central

    Lyukmanova, Ekaterina N.; Shenkarev, Zakhar O.; Shulepko, Mikhail A.; Paramonov, Alexander S.; Chugunov, Anton O.; Janickova, Helena; Dolejsi, Eva; Dolezal, Vladimir; Utkin, Yuri N.; Tsetlin, Victor I.; Arseniev, Alexander S.; Efremov, Roman G.; Dolgikh, Dmitry A.; Kirpichnikov, Mikhail P.

    2015-01-01

    Weak toxin from Naja kaouthia (WTX) belongs to the group of nonconventional “three-finger” snake neurotoxins. It irreversibly inhibits nicotinic acetylcholine receptors and allosterically interacts with muscarinic acetylcholine receptors (mAChRs). Using site-directed mutagenesis, NMR spectroscopy, and computer modeling, we investigated the recombinant mutant WTX analogue (rWTX) which, compared with the native toxin, has an additional N-terminal methionine residue. In comparison with the wild-type toxin, rWTX demonstrated an altered pharmacological profile, decreased binding of orthosteric antagonist N-methylscopolamine to human M1- and M2-mAChRs, and increased antagonist binding to M3-mAChR. Positively charged arginine residues located in the flexible loop II were found to be crucial for rWTX interactions with all types of mAChR. Computer modeling suggested that the rWTX loop II protrudes to the M1-mAChR allosteric ligand-binding site blocking the entrance to the orthosteric site. In contrast, toxin interacts with M3-mAChR by loop II without penetration into the allosteric site. Data obtained provide new structural insight into the target-specific allosteric regulation of mAChRs by “three-finger” snake neurotoxins. PMID:26242733

  2. Multi-modal applicability of a reversed-phase/weak-anion exchange material in reversed-phase, anion-exchange, ion-exclusion, hydrophilic interaction and hydrophobic interaction chromatography modes.

    PubMed

    Lämmerhofer, Michael; Nogueira, Raquel; Lindner, Wolfgang

    2011-06-01

    We recently introduced a mixed-mode reversed-phase/weak anion-exchange type separation material based on silica particles which consisted of a hydrophobic alkyl strand with polar embedded groups (thioether and amide functionalities) and a terminal weak anion-exchange-type quinuclidine moiety. This stationary phase was designed to separate molecules by lipophilicity and charge differences and was mainly devised for peptide separations with hydroorganic reversed-phase type elution conditions. Herein, we demonstrate the extraordinary flexibility of this RP/WAX phase, in particular for peptide separations, by illustrating its applicability in various chromatographic modes. The column packed with this material can, depending on the solute character and employed elution conditions, exploit attractive or repulsive electrostatic interactions, and/or hydrophobic or hydrophilic interactions as retention and selectivity increments. As a consequence, the column can be operated in a reversed-phase mode (neutral compounds), anion-exchange mode (acidic compounds), ion-exclusion chromatography mode (cationic solutes), hydrophilic interaction chromatography mode (polar compounds), and hydrophobic interaction chromatography mode (e.g., hydrophobic peptides). Mixed-modes of these chromatographic retention principles may be materialized as well. This allows an exceptionally flexible adjustment of retention and selectivity by tuning experimental conditions. The distinct separation mechanisms will be outlined by selected examples of peptide separations in the different modes.

  3. Results on the Spin-Dependent Scattering of Weakly Interacting Massive Particles on Nucleons from the Run 3 Data of the LUX Experiment

    NASA Astrophysics Data System (ADS)

    Akerib, D. S.; Araújo, H. M.; Bai, X.; Bailey, A. J.; Balajthy, J.; Beltrame, P.; Bernard, E. P.; Bernstein, A.; Biesiadzinski, T. P.; Boulton, E. M.; Bradley, A.; Bramante, R.; Cahn, S. B.; Carmona-Benitez, M. C.; Chan, C.; Chapman, J. J.; Chiller, A. A.; Chiller, C.; Currie, A.; Cutter, J. E.; Davison, T. J. R.; de Viveiros, L.; Dobi, A.; Dobson, J. E. Y.; Druszkiewicz, E.; Edwards, B. N.; Faham, C. H.; Fiorucci, S.; Gaitskell, R. J.; Gehman, V. M.; Ghag, C.; Gibson, K. R.; Gilchriese, M. G. D.; Hall, C. R.; Hanhardt, M.; Haselschwardt, S. J.; Hertel, S. A.; Hogan, D. P.; Horn, M.; Huang, D. Q.; Ignarra, C. M.; Ihm, M.; Jacobsen, R. G.; Ji, W.; Kazkaz, K.; Khaitan, D.; Knoche, R.; Larsen, N. A.; Lee, C.; Lenardo, B. G.; Lesko, K. T.; Lindote, A.; Lopes, M. I.; Malling, D. C.; Manalaysay, A.; Mannino, R. L.; Marzioni, M. F.; McKinsey, D. N.; Mei, D.-M.; Mock, J.; Moongweluwan, M.; Morad, J. A.; Murphy, A. St. J.; Nehrkorn, C.; Nelson, H. N.; Neves, F.; O'Sullivan, K.; Oliver-Mallory, K. C.; Ott, R. A.; Palladino, K. J.; Pangilinan, M.; Pease, E. K.; Phelps, P.; Reichhart, L.; Rhyne, C.; Shaw, S.; Shutt, T. A.; Silva, C.; Solovov, V. N.; Sorensen, P.; Stephenson, S.; Sumner, T. J.; Szydagis, M.; Taylor, D. J.; Taylor, W.; Tennyson, B. P.; Terman, P. A.; Tiedt, D. R.; To, W. H.; Tripathi, M.; Tvrznikova, L.; Uvarov, S.; Verbus, J. R.; Webb, R. C.; White, J. T.; Whitis, T. J.; Witherell, M. S.; Wolfs, F. L. H.; Yazdani, K.; Young, S. K.; Zhang, C.; LUX Collaboration

    2016-04-01

    We present experimental constraints on the spin-dependent WIMP (weakly interacting massive particle)-nucleon elastic cross sections from LUX data acquired in 2013. LUX is a dual-phase xenon time projection chamber operating at the Sanford Underground Research Facility (Lead, South Dakota), which is designed to observe the recoil signature of galactic WIMPs scattering from xenon nuclei. A profile likelihood ratio analysis of 1.4 ×104 kg day of fiducial exposure allows 90% C.L. upper limits to be set on the WIMP-neutron (WIMP-proton) cross section of σn=9.4 ×10-41 cm2 (σp=2.9 ×10-39 cm2 ) at 33 GeV /c2 . The spin-dependent WIMP-neutron limit is the most sensitive constraint to date.

  4. Probing the role of weak outer sphere interactions (H-bonds) in VO(3,5- tBu 2-salophen) - Epoxide adducts by EPR, ENDOR and HYSCORE

    NASA Astrophysics Data System (ADS)

    Carter, E.; Fallis, I. A.; Murphy, D. M.; Willock, D. J.; Van Doorslaer, S.; Vinck, E.

    2010-02-01

    The role of H-bonds in controlling the binding mode of epoxides, namely propylene oxide ( 3) and cis-2,3-epoxybutane ( 4), to the vanadyl salen-type complexes, N,N'-bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexane-diamino-vanadium (IV) oxide, [VO( 1)], and VO(3,5- tBu 2-salophen), [VO( 2)], have been examined using cw-EPR, cw-ENDOR and HYSCORE spectroscopy. One of the methine protons from the cyclohexyl backbone in [VO( 1)] has previously been shown to form a weak H-bond with the epoxide oxygen atom. The absence of this methine proton in the salophen derivative [VO( 2)] removes this H-bonding ability of the complex and in turn weakens the epoxide interaction.

  5. Search for weakly interacting massive particles with the first five-tower data from the cryogenic dark matter search at the soudan underground laboratory.

    PubMed

    Ahmed, Z; Akerib, D S; Arrenberg, S; Attisha, M J; Bailey, C N; Baudis, L; Bauer, D A; Beaty, J; Brink, P L; Bruch, T; Bunker, R; Burke, S; Cabrera, B; Caldwell, D O; Cooley, J; Cushman, P; Dejongh, F; Dragowsky, M R; Duong, L; Emes, J; Figueroa-Feliciano, E; Filippini, J; Fritts, M; Gaitskell, R J; Golwala, S R; Grant, D R; Hall, J; Hennings-Yeomans, R; Hertel, S; Holmgren, D; Huber, M E; Mahapatra, R; Mandic, V; McCarthy, K A; Mirabolfathi, N; Nelson, H; Novak, L; Ogburn, R W; Pyle, M; Qiu, X; Ramberg, E; Rau, W; Reisetter, A; Saab, T; Sadoulet, B; Sander, J; Schmitt, R; Schnee, R W; Seitz, D N; Serfass, B; Sirois, A; Sundqvist, K M; Tarka, M; Tomada, A; Wang, G; Yellin, S; Yoo, J; Young, B A

    2009-01-09

    We report results from the Cryogenic Dark Matter Search at the Soudan Underground Laboratory (CDMS II) featuring the full complement of 30 detectors. A blind analysis of data taken between October 2006 and July 2007 sets an upper limit on the weakly interacting massive particle (WIMP) nucleon spin-independent cross section of 6.6x10;{-44} cm;{2} (4.6x10;{-44} cm;{2} when combined with previous CDMS II data) at the 90% confidence level for a WIMP mass of 60 GeV/c;{2}. This achieves the best sensitivity for dark matter WIMPs with masses above 44 GeV/c;{2}, and significantly restricts the parameter space for some favored supersymmetric models.

  6. Results on the spin-dependent scattering of weakly interacting massive particles on nucleons from the Run 3 Data of the LUX Experiment

    DOE PAGES

    Akerib, D. S.

    2016-04-20

    Here, we present experimental constraints on the spin-dependent WIMP (weakly interacting massive particle)-nucleon elastic cross sections from LUX data acquired in 2013. LUX is a dual-phase xenon time projection chamber operating at the Sanford Underground Research Facility (Lead, South Dakota), which is designed to observe the recoil signature of galactic WIMPs scattering from xenon nuclei. A profile likelihood ratio analysis of 1.4 × 104 kg day of fiducial exposure allows 90% C.L. upper limits to be set on the WIMP-neutron (WIMP-proton) cross section of σn = 9.4 × 10–41 cm2 (σp = 2.9 × 10–39 cm2) at 33 GeV/c2. Themore » spin-dependent WIMP-neutron limit is the most sensitive constraint to date.« less

  7. Muscle Weakness

    PubMed Central

    Al Kaissi, Ali; Ryabykh, Sergey; Ochirova, Polina; Kenis, Vladimir; Hofstätter, Jochen G.; Grill, Franz; Ganger, Rudolf; Kircher, Susanne Gerit

    2017-01-01

    Marked ligamentous hyperlaxity and muscle weakness/wasting associated with awkward gait are the main deficits confused with the diagnosis of myopathy. Seven children (6 boys and 1 girl with an average age of 8 years) were referred to our department because of diverse forms of skeletal abnormalities. No definitive diagnosis was made, and all underwent a series of sophisticated investigations in other institutes in favor of myopathy. We applied our methodology through the clinical and radiographic phenotypes followed by targeted genotypic confirmation. Three children (2 boys and 1 girl) were compatible with the diagnosis of progressive pseudorheumatoid chondrodysplasia. The genetic mutation was correlated with the WISP 3 gene actively expressed by articular chondrocytes and located on chromosome 6. Klinefelter syndrome was the diagnosis in 2 boys. Karyotyping confirmed 47,XXY (aneuploidy of Klinefelter syndrome). And 2 boys were finally diagnosed with Morquio syndrome (MPS type IV A) as both showed missense mutations in the N-acetylgalactosamine-sulfate sulfatase gene. Misdiagnosis can lead to the initiation of a long list of sophisticated investigations. PMID:28210640

  8. Measurements of weak interactions between truncated substrates and a hammerhead ribozyme by competitive kinetic analyses: implications for the design of new and efficient ribozymes with high sequence specificity

    PubMed Central

    Kasai, Yasuhiro; Shizuku, Hideki; Takagi, Yasuomi; Warashina, Masaki; Taira, Kazunari

    2002-01-01

    Exploitation of ribozymes in a practical setting requires high catalytic activity and strong specificity. The hammerhead ribozyme R32 has considerable potential in this regard since it has very high catalytic activity. In this study, we have examined how R32 recognizes and cleaves a specific substrate, focusing on the mechanism behind the specificity. Comparing rates of cleavage of a substrate in a mixture that included the correct substrate and various substrates with point mutations, we found that R32 cleaved the correct substrate specifically and at a high rate. To clarify the source of this strong specificity, we quantified the weak interactions between R32 and various truncated substrates, using truncated substrates as competitive inhibitors since they were not readily cleaved during kinetic measurements of cleavage of the correct substrate, S11. We found that the strong specificity of the cleavage reaction was due to a closed form of R32 with a hairpin structure. The self-complementary structure within R32 enabled the ribozyme to discriminate between the correct substrate and a mismatched substrate. Since this hairpin motif did not increase the Km (it did not inhibit the binding interaction) or decrease the kcat (it did not decrease the cleavage rate), this kind of hairpin structure might be useful for the design of new ribozymes with strong specificity and high activity. PMID:12034825

  9. Conservation Laws in Weak Interactions

    DOE R&D Accomplishments Database

    Lee, T. D.

    1957-03-01

    Notes are presented on four lectures given at Harvard University in March 1957 on elementary particle physics, the theta-tau problem, validity of parity conservation, tests for invariance under P, C, and T, and the two-component theory of the neutrino. (W.D.M.)

  10. Collapse of the EPR fine structure of a one-dimensional array of weakly interacting binuclear units: A dimensional quantum phase transition

    NASA Astrophysics Data System (ADS)

    Calvo, Rafael; Abud, Julián E.; Sartoris, Rosana P.; Santana, Ricardo C.

    2011-09-01

    Binuclear (also called dimeric) compounds with pairs of antiferromagnetically coupled spins ½, S1 and S2 (Hex = -J0 S1.S2, with J0<0 for antiferromagnets), have been around for ˜60 years, providing roots to the field of molecular magnetism. In addition, as reported in recent years, weak interactions between binuclear units in a crystalline network give rise to interesting systems of interacting bosons having an energy gap, which are important in the study of quantum phenomena in many body systems coupled by stochastic distributions of interactions. Binuclear compounds have gained new relevance in the last decade with the observation of Bose-Einstein condensation. In this work, we use electron paramagnetic resonance (EPR) to study the role of weak inter-binuclear exchange couplings J’ (|J’| ≪|J0|) in the spectra, elementary excitations, and spin dynamics of a one-dimensional (1-D) array of antiferromagnetic (AFM) binuclear units in the hybrid (organic-inorganic) CuII compound [Cu(CH3COO)(phen)(H2O)]2·(NO3)2·4H2O. In this material, the acetate (CH3COO)- anion supports the intra-binuclear exchange coupling J0, and the stacking of the (phen) = 1,10-phenanthroline rings of neighbor units supports the inter-binuclear interactions J', giving rise to well-isolated chains. This has advantages over other binuclear compounds studied previously because magnetically equal units are arranged in a 1-D spatial arrangement along the direction of their symmetry axis, simplifying the analysis of the data and allowing a simpler treatment. In addition, single crystals of good quality allow detailed EPR experiments.EPR spectra were collected at ˜33.8 and ˜9.4-9.8 GHz in oriented single crystals at room temperature and in powder samples at temperatures (T) between 10 and 300 K. By varying the energy levels of the binuclear units with the magnetic field orientation, or changing the population of the excited triplet state with temperature and, consequently, the effective

  11. Rational design of aggregation-induced emission luminogen with weak electron donor-acceptor interaction to achieve highly efficient undoped bilayer OLEDs.

    PubMed

    Chen, Long; Jiang, Yibin; Nie, Han; Hu, Rongrong; Kwok, Hoi Sing; Huang, Fei; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong

    2014-10-08

    In this work, two tailored luminogens (TPE-NB and TPE-PNPB) consisting of tetraphenylethene (TPE), diphenylamino, and dimesitylboryl as a π-conjugated linkage, electron donor, and electron acceptor, respectively, are synthesized and characterized. Their thermal stabilities, photophysical properties, solvachromism, fluorescence decays, electronic structures, electrochemical behaviors, and electroluminescence (EL) properties are investigated systematically, and the impacts of electron donor-acceptor (D-A) interaction on optoelectronic properties are discussed. Due to the presence of a TPE unit, both luminogens show aggregation-induced emission, but strong D-A interaction causes a decrease in emission efficiency and red-shifts in photoluminescence and EL emissions. The luminogen, TPE-PNPB, with a weak D-A interaction fluoresces strongly in solid film with a high fluorescence quantum yield of 94%. The trilayer OLED [ITO/NPB (60 nm)/TPE-PNPB (20 nm)/TPBi (40 nm)/LiF (1 nm)/Al (100 nm)] utilizing TPE-PNPB as a light emitter shows a peak luminance of 49 993 cd m(-2) and high EL efficiencies up to 15.7 cd A(-1), 12.9 lm W(-1), and 5.12%. The bilayer OLED [ITO/TPE-PNPB (80 nm)/TPBi (40 nm)/LiF (1 nm)/Al (100 nm)] adopting TPE-PNPB as a light emitter and hole transporter simultaneously affords even better EL efficiencies of 16.2 cd A(-1), 14.4 lm W(-1), and 5.35% in ambient air, revealing that TPE-PNPB is an eximious p-type light emitter.

  12. Single crystal EPR study of the dinuclear Cu(II) complex [Cu(tda)(phen)](2)·H(2)tda (tda = thiodiacetate, phen = phenanthroline): influence of weak interdimeric magnetic interactions.

    PubMed

    Neuman, Nicolás I; Perec, Mireille; González, Pablo J; Passeggi, Mario C G; Rizzi, Alberto C; Brondino, Carlos D

    2010-12-23

    We report powder and single crystal EPR measurements of [Cu(tda)(phen)](2)·H(2)tda (tda = thiodiacetate, phen = phenanthroline) at 9.7 GHz. This compound consists of centrosymmetric copper(II) ion dimers, weakly ferromagnetically exchange-coupled (J = +3.2 cm(-1)), in which the dimeric units are linked by hydrophobic chemical paths involving the phen molecules. EPR revealed that the triplet spectra are collapsed by interdimeric exchange interactions mediated by that chemical path. Analysis and simulation of the single crystal EPR spectra were performed using Anderson's exchange narrowing model, together with statistical arguments. This approach allowed us to interpret the spectra modulated by the interdimeric interactions in situations of weak, intermediate, and strong exchange. We evaluated an interdimeric exchange constant J' = 0.0070(3) cm(-1), indicating that hydrophobic paths can transmit weak exchange interactions between centers at relatively long distances of the order of ∼10 Å.

  13. Small and efficient basis sets for the evaluation of accurate interaction energies: aromatic molecule-argon ground-state intermolecular potentials and rovibrational states.

    PubMed

    Cybulski, Hubert; Baranowska-Łączkowska, Angelika; Henriksen, Christian; Fernández, Berta

    2014-11-06

    By evaluating a representative set of CCSD(T) ground state interaction energies for van der Waals dimers formed by aromatic molecules and the argon atom, we test the performance of the polarized basis sets of Sadlej et al. (J. Comput. Chem. 2005, 26, 145; Collect. Czech. Chem. Commun. 1988, 53, 1995) and the augmented polarization-consistent bases of Jensen (J. Chem. Phys. 2002, 117, 9234) in providing accurate intermolecular potentials for the benzene-, naphthalene-, and anthracene-argon complexes. The basis sets are extended by addition of midbond functions. As reference we consider CCSD(T) results obtained with Dunning's bases. For the benzene complex a systematic basis set study resulted in the selection of the (Z)Pol-33211 and the aug-pc-1-33321 bases to obtain the intermolecular potential energy surface. The interaction energy values and the shape of the CCSD(T)/(Z)Pol-33211 calculated potential are very close to the best available CCSD(T)/aug-cc-pVTZ-33211 potential with the former basis set being considerably smaller. The corresponding differences for the CCSD(T)/aug-pc-1-33321 potential are larger. In the case of the naphthalene-argon complex, following a similar study, we selected the (Z)Pol-3322 and aug-pc-1-333221 bases. The potentials show four symmetric absolute minima with energies of -483.2 cm(-1) for the (Z)Pol-3322 and -486.7 cm(-1) for the aug-pc-1-333221 basis set. To further check the performance of the selected basis sets, we evaluate intermolecular bound states of the complexes. The differences between calculated vibrational levels using the CCSD(T)/(Z)Pol-33211 and CCSD(T)/aug-cc-pVTZ-33211 benzene-argon potentials are small and for the lowest energy levels do not exceed 0.70 cm(-1). Such differences are substantially larger for the CCSD(T)/aug-pc-1-33321 calculated potential. For naphthalene-argon, bound state calculations demonstrate that the (Z)Pol-3322 and aug-pc-1-333221 potentials are of similar quality. The results show that these

  14. Search for a Light Higgs Boson Decaying to Long-Lived Weakly Interacting Particles in Proton-Proton Collisions at s=7TeV with the ATLAS Detector

    NASA Astrophysics Data System (ADS)

    Aad, G.; Abbott, B.; Abdallah, J.; Abdelalim, A. A.; Abdesselam, A.; Abdinov, O.; Abi, B.; Abolins, M.; AbouZeid, O. S.; Abramowicz, H.; Abreu, H.; Acerbi, E.; Acharya, B. S.; Adamczyk, L.; Adams, D. L.; Addy, T. N.; Adelman, J.; Aderholz, M.; Adomeit, S.; Adragna, P.; Adye, T.; Aefsky, S.; Aguilar-Saavedra, J. A.; Aharrouche, M.; Ahlen, S. P.; Ahles, F.; Ahmad, A.; Ahsan, M.; Aielli, G.; Akdogan, T.; Åkesson, T. P. A.; Akimoto, G.; Akimov, A. V.; Akiyama, A.; Alam, M. S.; Alam, M. A.; Albert, J.; Albrand, S.; Aleksa, M.; Aleksandrov, I. N.; Alessandria, F.; Alexa, C.; Alexander, G.; Alexandre, G.; Alexopoulos, T.; Alhroob, M.; Aliev, M.; Alimonti, G.; Alison, J.; Aliyev, M.; Allport, P. P.; Allwood-Spiers, S. E.; Almond, J.; Aloisio, A.; Alon, R.; Alonso, A.; Alvarez Gonzalez, B.; Alviggi, M. G.; Amako, K.; Amaral, P.; Amelung, C.; Ammosov, V. V.; Amorim, A.; Amorós, G.; Amram, N.; Anastopoulos, C.; Ancu, L. S.; Andari, N.; Andeen, T.; Anders, C. F.; Anders, G.; Anderson, K. J.; Andreazza, A.; Andrei, V.; Andrieux, M.-L.; Anduaga, X. S.; Angerami, A.; Anghinolfi, F.; Anisenkov, A.; Anjos, N.; Annovi, A.; Antonaki, A.; Antonelli, M.; Antonov, A.; Antos, J.; Anulli, F.; Aoun, S.; Aperio Bella, L.; Apolle, R.; Arabidze, G.; Aracena, I.; Arai, Y.; Arce, A. T. H.; Archambault, J. P.; Arfaoui, S.; Arguin, J.-F.; Arik, E.; Arik, M.; Armbruster, A. J.; Arnaez, O.; Arnault, C.; Artamonov, A.; Artoni, G.; Arutinov, D.; Asai, S.; Asfandiyarov, R.; Ask, S.; Åsman, B.; Asquith, L.; Assamagan, K.; Astbury, A.; Astvatsatourov, A.; Aubert, B.; Auge, E.; Augsten, K.; Aurousseau, M.; Avolio, G.; Avramidou, R.; Axen, D.; Ay, C.; Azuelos, G.; Azuma, Y.; Baak, M. A.; Baccaglioni, G.; Bacci, C.; Bach, A. M.; Bachacou, H.; Bachas, K.; Bachy, G.; Backes, M.; Backhaus, M.; Badescu, E.; Bagnaia, P.; Bahinipati, S.; Bai, Y.; Bailey, D. C.; Bain, T.; Baines, J. T.; Baker, O. K.; Baker, M. D.; Baker, S.; Banas, E.; Banerjee, P.; Banerjee, Sw.; Banfi, D.; Bangert, A.; Bansal, V.; Bansil, H. S.; Barak, L.; Baranov, S. P.; Barashkou, A.; Barbaro Galtieri, A.; Barber, T.; Barberio, E. L.; Barberis, D.; Barbero, M.; Bardin, D. Y.; Barillari, T.; Barisonzi, M.; Barklow, T.; Barlow, N.; Barnett, B. M.; Barnett, R. M.; Baroncelli, A.; Barone, G.; Barr, A. J.; Barreiro, F.; da Costa, J. Barreiro Guimarães; Barrillon, P.; Bartoldus, R.; Barton, A. E.; Bartsch, V.; Bates, R. L.; Batkova, L.; Batley, J. R.; Battaglia, A.; Battistin, M.; Bauer, F.; Bawa, H. S.; Beale, S.; Beare, B.; Beau, T.; Beauchemin, P. H.; Beccherle, R.; Bechtle, P.; Beck, H. P.; Becker, S.; Beckingham, M.; Becks, K. H.; Beddall, A. J.; Beddall, A.; Bedikian, S.; Bednyakov, V. A.; Bee, C. P.; Begel, M.; Behar Harpaz, S.; Behera, P. K.; Beimforde, M.; Belanger-Champagne, C.; Bell, P. J.; Bell, W. H.; Bella, G.; Bellagamba, L.; Bellina, F.; Bellomo, M.; Belloni, A.; Beloborodova, O.; Belotskiy, K.; Beltramello, O.; Ben Ami, S.; Benary, O.; Benchekroun, D.; Benchouk, C.; Bendel, M.; Benekos, N.; Benhammou, Y.; Benhar Noccioli, E.; Benitez Garcia, J. A.; Benjamin, D. P.; Benoit, M.; Bensinger, J. R.; Benslama, K.; Bentvelsen, S.; Berge, D.; Bergeaas Kuutmann, E.; Berger, N.; Berghaus, F.; Berglund, E.; Beringer, J.; Bernat, P.; Bernhard, R.; Bernius, C.; Berry, T.; Bertella, C.; Bertin, A.; Bertinelli, F.; Bertolucci, F.; Besana, M. I.; Besson, N.; Bethke, S.; Bhimji, W.; Bianchi, R. M.; Bianco, M.; Biebel, O.; Bieniek, S. P.; Bierwagen, K.; Biesiada, J.; Biglietti, M.; Bilokon, H.; Bindi, M.; Binet, S.; Bingul, A.; Bini, C.; Biscarat, C.; Bitenc, U.; Black, K. M.; Blair, R. E.; Blanchard, J.-B.; Blanchot, G.; Blazek, T.; Blocker, C.; Blocki, J.; Blondel, A.; Blum, W.; Blumenschein, U.; Bobbink, G. J.; Bobrovnikov, V. B.; Bocchetta, S. S.; Bocci, A.; Boddy, C. R.; Boehler, M.; Boek, J.; Boelaert, N.; Böser, S.; Bogaerts, J. A.; Bogdanchikov, A.; Bogouch, A.; Bohm, C.; Boisvert, V.; Bold, T.; Boldea, V.; Bolnet, N. M.; Bona, M.; Bondarenko, V. G.; Bondioli, M.; Boonekamp, M.; Boorman, G.; Booth, C. N.; Bordoni, S.; Borer, C.; Borisov, A.; Borissov, G.; Borjanovic, I.; Borroni, S.; Bos, K.; Boscherini, D.; Bosman, M.; Boterenbrood, H.; Botterill, D.; Bouchami, J.; Boudreau, J.; Bouhova-Thacker, E. V.; Boumediene, D.; Bourdarios, C.; Bousson, N.; Boveia, A.; Boyd, J.; Boyko, I. R.; Bozhko, N. I.; Bozovic-Jelisavcic, I.; Bracinik, J.; Braem, A.; Branchini, P.; Brandenburg, G. W.; Brandt, A.; Brandt, G.; Brandt, O.; Bratzler, U.; Brau, B.; Brau, J. E.; Braun, H. M.; Brelier, B.; Bremer, J.; Brenner, R.; Bressler, S.; Breton, D.; Britton, D.; Brochu, F. M.; Brock, I.; Brock, R.; Brodbeck, T. J.; Brodet, E.; Broggi, F.; Bromberg, C.; Bronner, J.; Brooijmans, G.; Brooks, W. K.; Brown, G.; Brown, H.; Bruckman de Renstrom, P. A.; Bruncko, D.; Bruneliere, R.; Brunet, S.

    2012-06-01

    A search for the decay of a light Higgs boson (120-140 GeV) to a pair of weakly interacting, long-lived particles in 1.94fb-1 of proton-proton collisions at s=7TeV recorded in 2011 by the ATLAS detector is presented. The search strategy requires that both long-lived particles decay inside the muon spectrometer. No excess of events is observed above the expected background and limits on the Higgs boson production times branching ratio to weakly interacting, long-lived particles are derived as a function of the particle proper decay length.

  15. Search for a light Higgs boson decaying to long-lived weakly interacting particles in proton-proton collisions at sqrt[s] = 7 TeV with the ATLAS detector.

    PubMed

    Aad, G; Abbott, B; Abdallah, J; Abdelalim, A A; Abdesselam, A; Abdinov, O; Abi, B; Abolins, M; Abouzeid, O S; Abramowicz, H; Abreu, H; Acerbi, E; Acharya, B S; Adamczyk, L; Adams, D L; Addy, T N; Adelman, J; Aderholz, M; Adomeit, S; Adragna, P; Adye, T; Aefsky, S; Aguilar-Saavedra, J A; Aharrouche, M; Ahlen, S P; Ahles, F; Ahmad, A; Ahsan, M; Aielli, G; Akdogan, T; Akesson, T P A; Akimoto, G; Akimov, A V; Akiyama, A; Alam, M S; Alam, M A; Albert, J; Albrand, S; Aleksa, M; Aleksandrov, I N; Alessandria, F; Alexa, C; Alexander, G; Alexandre, G; Alexopoulos, T; Alhroob, M; Aliev, M; Alimonti, G; Alison, J; Aliyev, M; Allport, P P; Allwood-Spiers, S E; Almond, J; Aloisio, A; Alon, R; Alonso, A; Alvarez Gonzalez, B; Alviggi, M G; Amako, K; Amaral, P; Amelung, C; Ammosov, V V; Amorim, A; Amorós, G; Amram, N; Anastopoulos, C; Ancu, L S; Andari, N; Andeen, T; Anders, C F; Anders, G; Anderson, K J; Andreazza, A; Andrei, V; Andrieux, M-L; Anduaga, X S; Angerami, A; Anghinolfi, F; Anisenkov, A; Anjos, N; Annovi, A; Antonaki, A; Antonelli, M; Antonov, A; Antos, J; Anulli, F; Aoun, S; Aperio Bella, L; Apolle, R; Arabidze, G; Aracena, I; Arai, Y; Arce, A T H; Archambault, J P; Arfaoui, S; Arguin, J-F; Arik, E; Arik, M; Armbruster, A J; Arnaez, O; Arnault, C; Artamonov, A; Artoni, G; Arutinov, D; Asai, S; Asfandiyarov, R; Ask, S; Asman, B; Asquith, L; Assamagan, K; Astbury, A; Astvatsatourov, A; Aubert, B; Auge, E; Augsten, K; Aurousseau, M; Avolio, G; Avramidou, R; Axen, D; Ay, C; Azuelos, G; Azuma, Y; Baak, M A; Baccaglioni, G; Bacci, C; Bach, A M; Bachacou, H; Bachas, K; Bachy, G; Backes, M; Backhaus, M; Badescu, E; Bagnaia, P; Bahinipati, S; Bai, Y; Bailey, D C; Bain, T; Baines, J T; Baker, O K; Baker, M D; Baker, S; Banas, E; Banerjee, P; Banerjee, Sw; Banfi, D; Bangert, A; Bansal, V; Bansil, H S; Barak, L; Baranov, S P; Barashkou, A; Barbaro Galtieri, A; Barber, T; Barberio, E L; Barberis, D; Barbero, M; Bardin, D Y; Barillari, T; Barisonzi, M; Barklow, T; Barlow, N; Barnett, B M; Barnett, R M; Baroncelli, A; Barone, G; Barr, A J; Barreiro, F; da Costa, J Barreiro Guimarães; Barrillon, P; Bartoldus, R; Barton, A E; Bartsch, V; Bates, R L; Batkova, L; Batley, J R; Battaglia, A; Battistin, M; Bauer, F; Bawa, H S; Beale, S; Beare, B; Beau, T; Beauchemin, P H; Beccherle, R; Bechtle, P; Beck, H P; Becker, S; Beckingham, M; Becks, K H; Beddall, A J; Beddall, A; Bedikian, S; Bednyakov, V A; Bee, C P; Begel, M; Behar Harpaz, S; Behera, P K; Beimforde, M; Belanger-Champagne, C; Bell, P J; Bell, W H; Bella, G; Bellagamba, L; Bellina, F; Bellomo, M; Belloni, A; Beloborodova, O; Belotskiy, K; Beltramello, O; Ben Ami, S; Benary, O; Benchekroun, D; Benchouk, C; Bendel, M; Benekos, N; Benhammou, Y; Benhar Noccioli, E; Benitez Garcia, J A; Benjamin, D P; Benoit, M; Bensinger, J R; Benslama, K; Bentvelsen, S; Berge, D; Bergeaas Kuutmann, E; Berger, N; Berghaus, F; Berglund, E; Beringer, J; Bernat, P; Bernhard, R; Bernius, C; Berry, T; Bertella, C; Bertin, A; Bertinelli, F; Bertolucci, F; Besana, M I; Besson, N; Bethke, S; Bhimji, W; Bianchi, R M; Bianco, M; Biebel, O; Bieniek, S P; Bierwagen, K; Biesiada, J; Biglietti, M; Bilokon, H; Bindi, M; Binet, S; Bingul, A; Bini, C; Biscarat, C; Bitenc, U; Black, K M; Blair, R E; Blanchard, J-B; Blanchot, G; Blazek, T; Blocker, C; Blocki, J; Blondel, A; Blum, W; Blumenschein, U; Bobbink, G J; Bobrovnikov, V B; Bocchetta, S S; Bocci, A; Boddy, C R; Boehler, M; Boek, J; Boelaert, N; Böser, S; Bogaerts, J A; Bogdanchikov, A; Bogouch, A; Bohm, C; Boisvert, V; Bold, T; Boldea, V; Bolnet, N M; Bona, M; Bondarenko, V G; Bondioli, M; Boonekamp, M; Boorman, G; Booth, C N; Bordoni, S; Borer, C; Borisov, A; Borissov, G; Borjanovic, I; Borroni, S; Bos, K; Boscherini, D; Bosman, M; Boterenbrood, H; Botterill, D; Bouchami, J; Boudreau, J; Bouhova-Thacker, E V; Boumediene, D; Bourdarios, C; Bousson, N; Boveia, A; Boyd, J; Boyko, I R; Bozhko, N I; Bozovic-Jelisavcic, I; Bracinik, J; Braem, A; Branchini, P; Brandenburg, G W; Brandt, A; Brandt, G; Brandt, O; Bratzler, U; Brau, B; Brau, J E; Braun, H M; Brelier, B; Bremer, J; Brenner, R; Bressler, S; Breton, D; Britton, D; Brochu, F M; Brock, I; Brock, R; Brodbeck, T J; Brodet, E; Broggi, F; Bromberg, C; Bronner, J; Brooijmans, G; Brooks, W K; Brown, G; Brown, H; Bruckman de Renstrom, P A; Bruncko, D; Bruneliere, R; Brunet, S; Bruni, A; Bruni, G; Bruschi, M; Buanes, T; Buat, Q; Bucci, F; Buchanan, J; Buchanan, N J; Buchholz, P; Buckingham, R M; Buckley, A G; Buda, S I; Budagov, I A; Budick, B; Büscher, V; Bugge, L; Bulekov, O; Bunse, M; Buran, T; Burckhart, H; Burdin, S; Burgess, T; Burke, S; Busato, E; Bussey, P; Buszello, C P; Butin, F; Butler, B; Butler, J M; Buttar, C M; Butterworth, J M; Buttinger, W; Cabrera Urbán, S; Caforio, D; Cakir, O; Calafiura, P; Calderini, G; Calfayan, P; Calkins, R; Caloba, L P; Caloi, R; Calvet, D; Calvet, S; Camacho Toro, R; Camarri, P; Cambiaghi, M; Cameron, D; Caminada, L M; Campana, S; Campanelli, M; Canale, V; Canelli, F; Canepa, A; Cantero, J; Capasso, L; Capeans Garrido, M D M; Caprini, I; Caprini, M; Capriotti, D; Capua, M; Caputo, R; Caramarcu, C; Cardarelli, R; Carli, T; Carlino, G; Carminati, L; Caron, B; Caron, S; Carrillo Montoya, G D; Carter, A A; Carter, J R; Carvalho, J; Casadei, D; Casado, M P; Cascella, M; Caso, C; Castaneda Hernandez, A M; Castaneda-Miranda, E; Castillo Gimenez, V; Castro, N F; Cataldi, G; Cataneo, F; Catinaccio, A; Catmore, J R; Cattai, A; Cattani, G; Caughron, S; Cauz, D; Cavalleri, P; Cavalli, D; Cavalli-Sforza, M; Cavasinni, V; Ceradini, F; Cerqueira, A S; Cerri, A; Cerrito, L; Cerutti, F; Cetin, S A; Cevenini, F; Chafaq, A; Chakraborty, D; Chan, K; Chapleau, B; Chapman, J D; Chapman, J W; Chareyre, E; Charlton, D G; Chavda, V; Chavez Barajas, C A; Cheatham, S; Chekanov, S; Chekulaev, S V; Chelkov, G A; Chelstowska, M A; Chen, C; Chen, H; Chen, S; Chen, T; Chen, X; Cheng, S; Cheplakov, A; Chepurnov, V F; Cherkaoui El Moursli, R; Chernyatin, V; Cheu, E; Cheung, S L; Chevalier, L; Chiefari, G; Chikovani, L; Childers, J T; Chilingarov, A; Chiodini, G; Chizhov, M V; Choudalakis, G; Chouridou, S; Christidi, I A; Christov, A; Chromek-Burckhart, D; Chu, M L; Chudoba, J; Ciapetti, G; Ciba, K; Ciftci, A K; Ciftci, R; Cinca, D; Cindro, V; Ciobotaru, M D; Ciocca, C; Ciocio, A; Cirilli, M; Citterio, M; Ciubancan, M; Clark, A; Clark, P J; Cleland, W; Clemens, J C; Clement, B; Clement, C; Clifft, R W; Coadou, Y; Cobal, M; Coccaro, A; Cochran, J; Coe, P; Cogan, J G; Coggeshall, J; Cogneras, E; Colas, J; Colijn, A P; Collins, N J; Collins-Tooth, C; Collot, J; Colon, G; Conde Muiño, P; Coniavitis, E; Conidi, M C; Consonni, M; Consorti, V; Constantinescu, S; Conta, C; Conventi, F; Cook, J; Cooke, M; Cooper, B D; Cooper-Sarkar, A M; Copic, K; Cornelissen, T; Corradi, M; Corriveau, F; Cortes-Gonzalez, A; Cortiana, G; Costa, G; Costa, M J; Costanzo, D; Costin, T; Côté, D; Coura Torres, R; Courneyea, L; Cowan, G; Cowden, C; Cox, B E; Cranmer, K; Crescioli, F; Cristinziani, M; Crosetti, G; Crupi, R; Crépé-Renaudin, S; Cuciuc, C-M; Cuenca Almenar, C; Cuhadar Donszelmann, T; Curatolo, M; Curtis, C J; Cuthbert, C; Cwetanski, P; Czirr, H; Czodrowski, P; Czyczula, Z; D'Auria, S; D'Onofrio, M; D'Orazio, A; Da Silva, P V M; Da Via, C; Dabrowski, W; Dai, T; Dallapiccola, C; Dam, M; Dameri, M; Damiani, D S; Danielsson, H O; Dannheim, D; Dao, V; Darbo, G; Darlea, G L; Daum, C; Davey, W; Davidek, T; Davidson, N; Davidson, R; Davies, E; Davies, M; Davison, A R; Davygora, Y; Dawe, E; Dawson, I; Dawson, J W; Daya-Ishmukhametova, R K; De, K; de Asmundis, R; De Castro, S; De Castro Faria Salgado, P E; De Cecco, S; de Graat, J; De Groot, N; de Jong, P; De La Taille, C; De la Torre, H; De Lotto, B; de Mora, L; De Nooij, L; De Pedis, D; De Salvo, A; De Sanctis, U; De Santo, A; De Vivie De Regie, J B; Dean, S; Dearnaley, W J; Debbe, R; Debenedetti, C; Dedovich, D V; Degenhardt, J; Dehchar, M; Del Papa, C; Del Peso, J; Del Prete, T; Delemontex, T; Deliyergiyev, M; Dell'acqua, A; Dell'asta, L; Della Pietra, M; Della Volpe, D; Delmastro, M; Delruelle, N; Delsart, P A; Deluca, C; Demers, S; Demichev, M; Demirkoz, B; Deng, J; Denisov, S P; Derendarz, D; Derkaoui, J E; Derue, F; Dervan, P; Desch, K; Devetak, E; Deviveiros, P O; Dewhurst, A; Dewilde, B; Dhaliwal, S; Dhullipudi, R; Di Ciaccio, A; Di Ciaccio, L; Di Girolamo, A; Di Girolamo, B; Di Luise, S; Di Mattia, A; Di Micco, B; Di Nardo, R; Di Simone, A; Di Sipio, R; Diaz, M A; Diblen, F; Diehl, E B; Dietrich, J; Dietzsch, T A; Diglio, S; Dindar Yagci, K; Dingfelder, J; Dionisi, C; Dita, P; Dita, S; Dittus, F; Djama, F; Djobava, T; do Vale, M A B; Do Valle Wemans, A; Doan, T K O; Dobbs, M; Dobinson, R; Dobos, D; Dobson, E; Dodd, J; Doglioni, C; Doherty, T; Doi, Y; Dolejsi, J; Dolenc, I; Dolezal, Z; Dolgoshein, B A; Dohmae, T; Donadelli, M; Donega, M; Donini, J; Dopke, J; Doria, A; Dos Anjos, A; Dosil, M; Dotti, A; Dova, M T; Dowell, J D; Doxiadis, A D; Doyle, A T; Drasal, Z; Drees, J; Dressnandt, N; Drevermann, H; Driouichi, C; Dris, M; Dubbert, J; Dube, S; Duchovni, E; Duckeck, G; Dudarev, A; Dudziak, F; Dührssen, M; Duerdoth, I P; Duflot, L; Dufour, M-A; Dunford, M; Duran Yildiz, H; Duxfield, R; Dwuznik, M; Dydak, F; Düren, M; Ebenstein, W L; Ebke, J; Eckweiler, S; Edmonds, K; Edwards, C A; Edwards, N C; Ehrenfeld, W; Ehrich, T; Eifert, T; Eigen, G; Einsweiler, K; Eisenhandler, E; Ekelof, T; El Kacimi, M; Ellert, M; Elles, S; Ellinghaus, F; Ellis, K; Ellis, N; Elmsheuser, J; Elsing, M; Emeliyanov, D; Engelmann, R; Engl, A; Epp, B; Eppig, A; Erdmann, J; Ereditato, A; Eriksson, D; Ernst, J; Ernst, M; Ernwein, J; Errede, D; Errede, S; Ertel, E; Escalier, M; Escobar, C; Espinal Curull, X; Esposito, B; Etienne, F; Etienvre, A I; Etzion, E; Evangelakou, D; Evans, H; Fabbri, L; Fabre, C; Fakhrutdinov, R M; Falciano, S; Fang, Y; Fanti, M; Farbin, A; Farilla, A; Farley, J; Farooque, T; Farrington, S M; Farthouat, P; Fassnacht, P; Fassouliotis, D; Fatholahzadeh, B; Favareto, A; Fayard, L; Fazio, S; Febbraro, R; Federic, P; Fedin, O L; Fedorko, W; Fehling-Kaschek, M; Feligioni, L; Fellmann, D; Feng, C; Feng, E J; Fenyuk, A B; Ferencei, J; Ferland, J; Fernando, W; Ferrag, S; Ferrando, J; Ferrara, V; Ferrari, A; Ferrari, P; Ferrari, R; Ferrer, A; Ferrer, M L; Ferrere, D; Ferretti, C; Ferretto Parodi, A; Fiascaris, M; Fiedler, F; Filipčič, A; Filippas, A; Filthaut, F; Fincke-Keeler, M; Fiolhais, M C N; Fiorini, L; Firan, A; Fischer, G; Fischer, P; Fisher, M J; Flechl, M; Fleck, I; Fleckner, J; Fleischmann, P; Fleischmann, S; Flick, T; Flores Castillo, L R; Flowerdew, M J; Fokitis, M; Fonseca Martin, T; Forbush, D A; Formica, A; Forti, A; Fortin, D; Foster, J M; Fournier, D; Foussat, A; Fowler, A J; Fowler, K; Fox, H; Francavilla, P; Franchino, S; Francis, D; Frank, T; Franklin, M; Franz, S; Fraternali, M; Fratina, S; French, S T; Friedrich, F; Froeschl, R; Froidevaux, D; Frost, J A; Fukunaga, C; Fullana Torregrosa, E; Fuster, J; Gabaldon, C; Gabizon, O; Gadfort, T; Gadomski, S; Gagliardi, G; Gagnon, P; Galea, C; Gallas, E J; Gallo, V; Gallop, B J; Gallus, P; Gan, K K; Gao, Y S; Gapienko, V A; Gaponenko, A; Garberson, F; Garcia-Sciveres, M; García, C; García Navarro, J E; Gardner, R W; Garelli, N; Garitaonandia, H; Garonne, V; Garvey, J; Gatti, C; Gaudio, G; Gaumer, O; Gaur, B; Gauthier, L; Gavrilenko, I L; Gay, C; Gaycken, G; Gayde, J-C; Gazis, E N; Ge, P; Gee, C N P; Geerts, D A A; Geich-Gimbel, Ch; Gellerstedt, K; Gemme, C; Gemmell, A; Genest, M H; Gentile, S; George, M; George, S; Gerlach, P; Gershon, A; Geweniger, C; Ghazlane, H; Ghodbane, N; Giacobbe, B; Giagu, S; Giakoumopoulou, V; Giangiobbe, V; Gianotti, F; Gibbard, B; Gibson, A; Gibson, S M; Gilbert, L M; Gilewsky, V; Gillberg, D; Gillman, A R; Gingrich, D M; Ginzburg, J; Giokaris, N; Giordani, M P; Giordano, R; Giorgi, F M; Giovannini, P; Giraud, P F; Giugni, D; Giunta, M; Giusti, P; Gjelsten, B K; Gladilin, L K; Glasman, C; Glatzer, J; Glazov, A; Glitza, K W; Glonti, G L; Goddard, J R; Godfrey, J; Godlewski, J; Goebel, M; Göpfert, T; Goeringer, C; Gössling, C; Göttfert, T; Goldfarb, S; Golling, T; Golovnia, S N; Gomes, A; Gomez Fajardo, L S; Gonçalo, R; Goncalves Pinto Firmino Da Costa, J; Gonella, L; Gonidec, A; Gonzalez, S; González de la Hoz, S; Gonzalez Parra, G; Gonzalez Silva, M L; Gonzalez-Sevilla, S; Goodson, J J; Goossens, L; Gorbounov, P A; Gordon, H A; Gorelov, I; Gorfine, G; Gorini, B; Gorini, E; Gorišek, A; Gornicki, E; Gorokhov, S A; Goryachev, V N; Gosdzik, B; Gosselink, M; Gostkin, M I; Gough Eschrich, I; Gouighri, M; Goujdami, D; Goulette, M P; Goussiou, A G; Goy, C; Gozpinar, S; Grabowska-Bold, I; Grafström, P; Grahn, K-J; Grancagnolo, F; Grancagnolo, S; Grassi, V; Gratchev, V; Grau, N; Gray, H M; Gray, J A; Graziani, E; Grebenyuk, O G; Greenshaw, T; Greenwood, Z D; Gregersen, K; Gregor, I M; Grenier, P; Griffiths, J; Grigalashvili, N; Grillo, A A; Grinstein, S; Grishkevich, Y V; Grivaz, J-F; Groh, M; Gross, E; Grosse-Knetter, J; Groth-Jensen, J; Grybel, K; Guarino, V J; Guest, D; Guicheney, C; Guida, A; Guindon, S; Guler, H; Gunther, J; Guo, B; Guo, J; Gupta, A; Gusakov, Y; Gushchin, V N; Gutierrez, A; Gutierrez, P; Guttman, N; Gutzwiller, O; Guyot, C; Gwenlan, C; Gwilliam, C B; Haas, A; Haas, S; Haber, C; Hadavand, H K; Hadley, D R; Haefner, P; Hahn, F; Haider, S; Hajduk, Z; Hakobyan, H; Hall, D; Haller, J; Hamacher, K; Hamal, P; Hamer, M; Hamilton, A; Hamilton, S; Han, H; Han, L; Hanagaki, K; Hanawa, K; Hance, M; Handel, C; Hanke, P; Hansen, J R; Hansen, J B; Hansen, J D; Hansen, P H; Hansson, P; Hara, K; Hare, G A; Harenberg, T; Harkusha, S; Harper, D; Harrington, R D; Harris, O M; Harrison, K; Hartert, J; Hartjes, F; Haruyama, T; Harvey, A; Hasegawa, S; Hasegawa, Y; Hassani, S; Hatch, M; Hauff, D; Haug, S; Hauschild, M; Hauser, R; Havranek, M; Hawes, B M; Hawkes, C M; Hawkings, R J; Hawkins, A D; Hawkins, D; Hayakawa, T; Hayashi, T; Hayden, D; Hayward, H S; Haywood, S J; Hazen, E; He, M; Head, S J; Hedberg, V; Heelan, L; Heim, S; Heinemann, B; Heisterkamp, S; Helary, L; Heller, C; Heller, M; Hellman, S; Hellmich, D; Helsens, C; Henderson, R C W; Henke, M; Henrichs, A; Henriques Correia, A M; Henrot-Versille, S; Henry-Couannier, F; Hensel, C; Henß, T; Hernandez, C M; Hernández Jiménez, Y; Herrberg, R; Hershenhorn, A D; Herten, G; Hertenberger, R; Hervas, L; Hessey, N P; Higón-Rodriguez, E; Hill, D; Hill, J C; Hill, N; Hiller, K H; Hillert, S; Hillier, S J; Hinchliffe, I; Hines, E; Hirose, M; Hirsch, F; Hirschbuehl, D; Hobbs, J; Hod, N; Hodgkinson, M C; Hodgson, P; Hoecker, A; Hoeferkamp, M R; Hoffman, J; Hoffmann, D; Hohlfeld, M; Holder, M; Holmgren, S O; Holy, T; Holzbauer, J L; Homma, Y; Hong, T M; Hooft van Huysduynen, L; Horazdovsky, T; Horn, C; Horner, S; Hostachy, J-Y; Hou, S; Houlden, M A; Hoummada, A; Howarth, J; Howell, D F; Hristova, I; Hrivnac, J; Hruska, I; Hryn'ova, T; Hsu, P J; Hsu, S-C; Huang, G S; Hubacek, Z; Hubaut, F; Huegging, F; Huettmann, A; Huffman, T B; Hughes, E W; Hughes, G; Hughes-Jones, R E; Huhtinen, M; Hurst, P; Hurwitz, M; Husemann, U; Huseynov, N; Huston, J; Huth, J; Iacobucci, G; Iakovidis, G; Ibbotson, M; Ibragimov, I; Ichimiya, R; Iconomidou-Fayard, L; Idarraga, J; Iengo, P; Igonkina, O; Ikegami, Y; Ikeno, M; Ilchenko, Y; Iliadis, D; Ilic, N; Imbault, D; Imori, M; Ince, T; Inigo-Golfin, J; Ioannou, P; Iodice, M; Ippolito, V; Irles Quiles, A; Isaksson, C; Ishikawa, A; Ishino, M; Ishmukhametov, R; Issever, C; Istin, S; Ivashin, A V; Iwanski, W; Iwasaki, H; Izen, J M; Izzo, V; Jackson, B; Jackson, J N; Jackson, P; Jaekel, M R; Jain, V; Jakobs, K; Jakobsen, S; Jakubek, J; Jana, D K; Jankowski, E; Jansen, E; Jansen, H; Jantsch, A; Janus, M; Jarlskog, G; Jeanty, L; Jelen, K; Jen-La Plante, I; Jenni, P; Jeremie, A; Jež, P; Jézéquel, S; Jha, M K; Ji, H; Ji, W; Jia, J; Jiang, Y; Jimenez Belenguer, M; Jin, G; Jin, S; Jinnouchi, O; Joergensen, M D; Joffe, D; Johansen, L G; Johansen, M; Johansson, K E; Johansson, P; Johnert, S; Johns, K A; Jon-And, K; Jones, G; Jones, R W L; Jones, T W; Jones, T J; Jonsson, O; Joram, C; Jorge, P M; Joseph, J; Jovin, T; Ju, X; Jung, C A; Jungst, R M; Juranek, V; Jussel, P; Juste Rozas, A; Kabachenko, V V; Kabana, S; Kaci, M; Kaczmarska, A; Kadlecik, P; Kado, M; Kagan, H; Kagan, M; Kaiser, S; Kajomovitz, E; Kalinin, S; Kalinovskaya, L V; Kama, S; Kanaya, N; Kaneda, M; Kaneti, S; Kanno, T; Kantserov, V A; Kanzaki, J; Kaplan, B; Kapliy, A; Kaplon, J; Kar, D; Karagounis, M; Karagoz, M; Karnevskiy, M; Karr, K; Kartvelishvili, V; Karyukhin, A N; Kashif, L; Kasieczka, G; Kass, R D; Kastanas, A; Kataoka, M; Kataoka, Y; Katsoufis, E; Katzy, J; Kaushik, V; Kawagoe, K; Kawamoto, T; Kawamura, G; Kayl, M S; Kazanin, V A; Kazarinov, M Y; Keeler, R; Kehoe, R; Keil, M; Kekelidze, G D; Kennedy, J; Kenney, C J; Kenyon, M; Kepka, O; Kerschen, N; Kerševan, B P; Kersten, S; Kessoku, K; Keung, J; Khalil-Zada, F; Khandanyan, H; Khanov, A; Kharchenko, D; Khodinov, A; Kholodenko, A G; Khomich, A; Khoo, T J; Khoriauli, G; Khoroshilov, A; Khovanskiy, N; Khovanskiy, V; Khramov, E; Khubua, J; Kim, H; Kim, M S; Kim, P C; Kim, S H; Kimura, N; Kind, O; King, B T; King, M; King, R S B; Kirk, J; Kirsch, L E; Kiryunin, A E; Kishimoto, T; Kisielewska, D; Kittelmann, T; Kiver, A M; Kladiva, E; Klaiber-Lodewigs, J; Klein, M; Klein, U; Kleinknecht, K; Klemetti, M; Klier, A; Klimek, P; Klimentov, A; Klingenberg, R; Klinkby, E B; Klioutchnikova, T; Klok, P F; Klous, S; Kluge, E-E; Kluge, T; Kluit, P; Kluth, S; Knecht, N S; Kneringer, E; Knobloch, J; Knoops, E B F G; Knue, A; Ko, B R; Kobayashi, T; Kobel, M; Kocian, M; Kodys, P; Köneke, K; König, A C; Koenig, S; Köpke, L; Koetsveld, F; Koevesarki, P; Koffas, T; Koffeman, E; Kogan, L A; Kohn, F; Kohout, Z; Kohriki, T; Koi, T; Kokott, T; Kolachev, G M; Kolanoski, H; Kolesnikov, V; Koletsou, I; Koll, J; Kollar, D; Kollefrath, M; Kolya, S D; Komar, A A; Komori, Y; Kondo, T; Kono, T; Kononov, A I; Konoplich, R; Konstantinidis, N; Kootz, A; Koperny, S; Korcyl, K; Kordas, K; Koreshev, V; Korn, A; Korol, A; Korolkov, I; Korolkova, E V; Korotkov, V A; Kortner, O; Kortner, S; Kostyukhin, V V; Kotamäki, M J; Kotov, S; Kotov, V M; Kotwal, A; Kourkoumelis, C; Kouskoura, V; Koutsman, A; Kowalewski, R; Kowalski, T Z; Kozanecki, W; Kozhin, A S; Kral, V; Kramarenko, V A; Kramberger, G; Krasny, M W; Krasznahorkay, A; Kraus, J; Kraus, J K; Kreisel, A; Krejci, F; Kretzschmar, J; Krieger, N; Krieger, P; Kroeninger, K; Kroha, H; Kroll, J; Kroseberg, J; Krstic, J; Kruchonak, U; Krüger, H; Kruker, T; Krumnack, N; Krumshteyn, Z V; Kruth, A; Kubota, T; Kuehn, S; Kugel, A; Kuhl, T; Kuhn, D; Kukhtin, V; Kulchitsky, Y; Kuleshov, S; Kummer, C; Kuna, M; Kundu, N; Kunkle, J; Kupco, A; Kurashige, H; Kurata, M; Kurochkin, Y A; Kus, V; Kuwertz, E S; Kuze, M; Kvita, J; Kwee, R; La Rosa, A; La Rotonda, L; Labarga, L; Labbe, J; Lablak, S; Lacasta, C; Lacava, F; Lacker, H; Lacour, D; Lacuesta, V R; Ladygin, E; Lafaye, R; Laforge, B; Lagouri, T; Lai, S; Laisne, E; Lamanna, M; Lampen, C L; Lampl, W; Lancon, E; Landgraf, U; Landon, M P J; Landsman, H; Lane, J L; Lange, C; Lankford, A J; Lanni, F; Lantzsch, K; Laplace, S; Lapoire, C; Laporte, J F; Lari, T; Larionov, A V; Larner, A; Lasseur, C; Lassnig, M; Laurelli, P; Lavrijsen, W; Laycock, P; Lazarev, A B; Le Dortz, O; Le Guirriec, E; Le Maner, C; Le Menedeu, E; Lebel, C; Lecompte, T; Ledroit-Guillon, F; Lee, H; Lee, J S H; Lee, S C; Lee, L; Lefebvre, M; Legendre, M; Leger, A; Legeyt, B C; Legger, F; Leggett, C; Lehmacher, M; Lehmann Miotto, G; Lei, X; Leite, M A L; Leitner, R; Lellouch, D; Leltchouk, M; Lemmer, B; Lendermann, V; Leney, K J C; Lenz, T; Lenzen, G; Lenzi, B; Leonhardt, K; Leontsinis, S; Leroy, C; Lessard, J-R; Lesser, J; Lester, C G; Leung Fook Cheong, A; Levêque, J; Levin, D; Levinson, L J; Levitski, M S; Lewis, A; Lewis, G H; Leyko, A M; Leyton, M; Li, B; Li, H; Li, S; Li, X; Liang, Z; Liao, H; Liberti, B; Lichard, P; Lichtnecker, M; Lie, K; Liebig, W; Lifshitz, R; Limbach, C; Limosani, A; Limper, M; Lin, S C; Linde, F; Linnemann, J T; Lipeles, E; Lipinsky, L; Lipniacka, A; Liss, T M; Lissauer, D; Lister, A; Litke, A M; Liu, C; Liu, D; Liu, H; Liu, J B; Liu, M; Liu, S; Liu, Y; Livan, M; Livermore, S S A; Lleres, A; Llorente Merino, J; Lloyd, S L; Lobodzinska, E; Loch, P; Lockman, W S; Loddenkoetter, T; Loebinger, F K; Loginov, A; Loh, C W; Lohse, T; Lohwasser, K; Lokajicek, M; Loken, J; Lombardo, V P; Long, R E; Lopes, L; Lopez Mateos, D; Lorenz, J; Losada, M; Loscutoff, P; Lo Sterzo, F; Losty, M J; Lou, X; Lounis, A; Loureiro, K F; Love, J; Love, P A; Lowe, A J; Lu, F; Lubatti, H J; Luci, C; Lucotte, A; Ludwig, A; Ludwig, D; Ludwig, I; Ludwig, J; Luehring, F; Luijckx, G; Lumb, D; Luminari, L; Lund, E; Lund-Jensen, B; Lundberg, B; Lundberg, J; Lundquist, J; Lungwitz, M; Lutz, G; Lynn, D; Lys, J; Lytken, E; Ma, H; Ma, L L; Macana Goia, J A; Maccarrone, G; Macchiolo, A; Maček, B; Machado Miguens, J; Mackeprang, R; Madaras, R J; Mader, W F; Maenner, R; Maeno, T; Mättig, P; Mättig, S; Magnoni, L; Magradze, E; Mahalalel, Y; Mahboubi, K; Mahout, G; Maiani, C; Maidantchik, C; Maio, A; Majewski, S; Makida, Y; Makovec, N; Mal, P; Malaescu, B; Malecki, Pa; Malecki, P; Maleev, V P; Malek, F; Mallik, U; Malon, D; Malone, C; Maltezos, S; Malyshev, V; Malyukov, S; Mameghani, R; Mamuzic, J; Manabe, A; Mandelli, L; Mandić, I; Mandrysch, R; Maneira, J; Mangeard, P S; Manhaes de Andrade Filho, L; Manjavidze, I D; Mann, A; Manning, P M; Manousakis-Katsikakis, A; Mansoulie, B; Manz, A; Mapelli, A; Mapelli, L; March, L; Marchand, J F; Marchese, F; Marchiori, G; Marcisovsky, M; Marin, A; Marino, C P; Marroquim, F; Marshall, R; Marshall, Z; Martens, F K; Marti-Garcia, S; Martin, A J; Martin, B; Martin, B; Martin, F F; Martin, J P; Martin, Ph; Martin, T A; Martin, V J; Martin Dit Latour, B; Martin-Haugh, S; Martinez, M; Martinez Outschoorn, V; Martyniuk, A C; Marx, M; Marzano, F; Marzin, A; Masetti, L; Mashimo, T; Mashinistov, R; Masik, J; Maslennikov, A L; Massa, I; Massaro, G; Massol, N; Mastrandrea, P; Mastroberardino, A; Masubuchi, T; Mathes, M; Matricon, P; Matsumoto, H; Matsunaga, H; Matsushita, T; Mattravers, C; Maugain, J M; Maurer, J; Maxfield, S J; Maximov, D A; May, E N; Mayne, A; Mazini, R; Mazur, M; Mazzanti, M; Mazzoni, E; Mc Kee, S P; McCarn, A; McCarthy, R L; McCarthy, T G; McCubbin, N A; McFarlane, K W; McFayden, J A; McGlone, H; McHedlidze, G; McLaren, R A; McLaughlan, T; McMahon, S J; McPherson, R A; Meade, A; Mechnich, J; Mechtel, M; Medinnis, M; Meera-Lebbai, R; Meguro, T; Mehdiyev, R; Mehlhase, S; Mehta, A; Meier, K; Meirose, B; Melachrinos, C; Mellado Garcia, B R; Mendoza Navas, L; Meng, Z; Mengarelli, A; Menke, S; Menot, C; Meoni, E; Mercurio, K M; Mermod, P; Merola, L; Meroni, C; Merritt, F S; Messina, A; Metcalfe, J; Mete, A S; Meyer, C; Meyer, C; Meyer, J-P; Meyer, J; Meyer, J; Meyer, T C; Meyer, W T; Miao, J; Michal, S; Micu, L; Middleton, R P; Migas, S; Mijović, L; Mikenberg, G; Mikestikova, M; Mikuž, M; Miller, D W; Miller, R J; Mills, W J; Mills, C; Milov, A; Milstead, D A; Milstein, D; Minaenko, A A; Miñano Moya, M; Minashvili, I A; Mincer, A I; Mindur, B; Mineev, M; Ming, Y; Mir, L M; Mirabelli, G; Miralles Verge, L; Misiejuk, A; Mitrevski, J; Mitrofanov, G Y; Mitsou, V A; Mitsui, S; Miyagawa, P S; Miyazaki, K; Mjörnmark, J U; Moa, T; Mockett, P; Moed, S; Moeller, V; Mönig, K; Möser, N; Mohapatra, S; Mohr, W; Mohrdieck-Möck, S; Moisseev, A M; Moles-Valls, R; Molina-Perez, J; Monk, J; Monnier, E; Montesano, S; Monticelli, F; Monzani, S; Moore, R W; Moorhead, G F; Mora Herrera, C; Moraes, A; Morange, N; Morel, J; Morello, G; Moreno, D; Moreno Llácer, M; Morettini, P; Morii, M; Morin, J; Morley, A K; Mornacchi, G; Morozov, S V; Morris, J D; Morvaj, L; Moser, H G; Mosidze, M; Moss, J; Mount, R; Mountricha, E; Mouraviev, S V; Moyse, E J W; Mudrinic, M; Mueller, F; Mueller, J; Mueller, K; Müller, T A; Mueller, T; Muenstermann, D; Muir, A; Munwes, Y; Murray, W J; Mussche, I; Musto, E; Myagkov, A G; Myska, M; Nadal, J; Nagai, K; Nagano, K; Nagasaka, Y; Nagel, M; Nairz, A M; Nakahama, Y; Nakamura, K; Nakamura, T; Nakano, I; Nanava, G; Napier, A; Narayan, R; Nash, M; Nation, N R; Nattermann, T; Naumann, T; Navarro, G; Neal, H A; Nebot, E; Nechaeva, P Yu; Negri, A; Negri, G; Nektarijevic, S; Nelson, A; Nelson, S; Nelson, T K; Nemecek, S; Nemethy, P; Nepomuceno, A A; Nessi, M; Neubauer, M S; Neusiedl, A; Neves, R M; Nevski, P; Newman, P R; Nguyen Thi Hong, V; Nickerson, R B; Nicolaidou, R; Nicolas, L; Nicquevert, B; Niedercorn, F; Nielsen, J; Niinikoski, T; Nikiforou, N; Nikiforov, A; Nikolaenko, V; Nikolaev, K; Nikolic-Audit, I; Nikolics, K; Nikolopoulos, K; Nilsen, H; Nilsson, P; Ninomiya, Y; Nisati, A; Nishiyama, T; Nisius, R; Nodulman, L; Nomachi, M; Nomidis, I; Nordberg, M; Nordkvist, B; Norton, P R; Novakova, J; Nozaki, M; Nozka, L; Nugent, I M; Nuncio-Quiroz, A-E; Nunes Hanninger, G; Nunnemann, T; Nurse, E; Nyman, T; O'Brien, B J; O'Neale, S W; O'Neil, D C; O'Shea, V; Oakes, L B; Oakham, F G; Oberlack, H; Ocariz, J; Ochi, A; Oda, S; Odaka, S; Odier, J; Ogren, H; Oh, A; Oh, S H; Ohm, C C; Ohshima, T; Ohshita, H; Ohsugi, T; Okada, S; Okawa, H; Okumura, Y; Okuyama, T; Olariu, A; Olcese, M; Olchevski, A G; Oliveira, M; Oliveira Damazio, D; Oliver Garcia, E; Olivito, D; Olszewski, A; Olszowska, J; Omachi, C; Onofre, A; Onyisi, P U E; Oram, C J; Oreglia, M J; Oren, Y; Orestano, D; Orlov, I; Oropeza Barrera, C; Orr, R S; Osculati, B; Ospanov, R; Osuna, C; Otero Y Garzon, G; Ottersbach, J P; Ouchrif, M; Ouellette, E A; Ould-Saada, F; Ouraou, A; Ouyang, Q; Ovcharova, A; Owen, M; Owen, S; Ozcan, V E; Ozturk, N; Pacheco Pages, A; Padilla Aranda, C; Pagan Griso, S; Paganis, E; Paige, F; Pais, P; Pajchel, K; Palacino, G; Paleari, C P; Palestini, S; Pallin, D; Palma, A; Palmer, J D; Pan, Y B; Panagiotopoulou, E; Panes, B; Panikashvili, N; Panitkin, S; Pantea, D; Panuskova, M; Paolone, V; Papadelis, A; Papadopoulou, Th D; Paramonov, A; Park, W; Parker, M A; Parodi, F; Parsons, J A; Parzefall, U; Pasqualucci, E; Passaggio, S; Passeri, A; Pastore, F; Pastore, Fr; Pásztor, G; Pataraia, S; Patel, N; Pater, J R; Patricelli, S; Pauly, T; Pecsy, M; Pedraza Morales, M I; Peleganchuk, S V; Peng, H; Pengo, R; Penson, A; Penwell, J; Perantoni, M; Perez, K; Perez Cavalcanti, T; Perez Codina, E; Pérez García-Estañ, M T; Perez Reale, V; Perini, L; Pernegger, H; Perrino, R; Perrodo, P; Persembe, S; Perus, A; Peshekhonov, V D; Peters, K; Petersen, B A; Petersen, J; Petersen, T C; Petit, E; Petridis, A; Petridou, C; Petrolo, E; Petrucci, F; Petschull, D; Petteni, M; Pezoa, R; Phan, A; Phillips, P W; Piacquadio, G; Piccaro, E; Piccinini, M; Piec, S M; Piegaia, R; Pignotti, D T; Pilcher, J E; Pilkington, A D; Pina, J; Pinamonti, M; Pinder, A; Pinfold, J L; Ping, J; Pinto, B; Pirotte, O; Pizio, C; Plamondon, M; Pleier, M-A; Pleskach, A V; Poblaguev, A; Poddar, S; Podlyski, F; Poggioli, L; Poghosyan, T; Pohl, M; Polci, F; Polesello, G; Policicchio, A; Polini, A; Poll, J; Polychronakos, V; Pomarede, D M; Pomeroy, D; Pommès, K; Pontecorvo, L; Pope, B G; Popeneciu, G A; Popovic, D S; Poppleton, A; Portell Bueso, X; Posch, C; Pospelov, G E; Pospisil, S; Potrap, I N; Potter, C J; Potter, C T; Poulard, G; Poveda, J; Prabhu, R; Pralavorio, P; Pranko, A; Prasad, S; Pravahan, R; Prell, S; Pretzl, K; Pribyl, L; Price, D; Price, J; Price, L E; Price, M J; Prieur, D; Primavera, M; Prokofiev, K; Prokoshin, F; Protopopescu, S; Proudfoot, J; Prudent, X; Przybycien, M; Przysiezniak, H; Psoroulas, S; Ptacek, E; Pueschel, E; Purdham, J; Purohit, M; Puzo, P; Pylypchenko, Y; Qian, J; Qian, Z; Qin, Z; Quadt, A; Quarrie, D R; Quayle, W B; Quinonez, F; Raas, M; Radescu, V; Radics, B; Radloff, P; Rador, T; Ragusa, F; Rahal, G; Rahimi, A M; Rahm, D; Rajagopalan, S; Rammensee, M; Rammes, M; Randle-Conde, A S; Randrianarivony, K; Ratoff, P N; Rauscher, F; Raymond, M; Read, A L; Rebuzzi, D M; Redelbach, A; Redlinger, G; Reece, R; Reeves, K; Reichold, A; Reinherz-Aronis, E; Reinsch, A; Reisinger, I; Reljic, D; Rembser, C; Ren, Z L; Renaud, A; Renkel, P; Rescigno, M; Resconi, S; Resende, B; Reznicek, P; Rezvani, R; Richards, A; Richter, R; Richter-Was, E; Ridel, M; Rijpstra, M; Rijssenbeek, M; Rimoldi, A; Rinaldi, L; Rios, R R; Riu, I; Rivoltella, G; Rizatdinova, F; Rizvi, E; Robertson, S H; Robichaud-Veronneau, A; Robinson, D; Robinson, J E M; Robinson, M; Robson, A; Rocha de Lima, J G; Roda, C; Roda Dos Santos, D; Rodriguez, D; Roe, A; Roe, S; Røhne, O; Rojo, V; Rolli, S; Romaniouk, A; Romano, M; Romanov, V M; Romeo, G; Romero Adam, E; Roos, L; Ros, E; Rosati, S; Rosbach, K; Rose, A; Rose, M; Rosenbaum, G A; Rosenberg, E I; Rosendahl, P L; Rosenthal, O; Rosselet, L; Rossetti, V; Rossi, E; Rossi, L P; Rotaru, M; Roth, I; Rothberg, J; Rousseau, D; Royon, C R; Rozanov, A; Rozen, Y; Ruan, X; Rubinskiy, I; Ruckert, B; Ruckstuhl, N; Rud, V I; Rudolph, C; Rudolph, G; Rühr, F; Ruggieri, F; Ruiz-Martinez, A; Rumiantsev, V; Rumyantsev, L; Runge, K; Rurikova, Z; Rusakovich, N A; Rust, D R; Rutherfoord, J P; Ruwiedel, C; Ruzicka, P; Ryabov, Y F; Ryadovikov, V; Ryan, P; Rybar, M; Rybkin, G; Ryder, N C; Rzaeva, S; Saavedra, A F; Sadeh, I; Sadrozinski, H F-W; Sadykov, R; Safai Tehrani, F; Sakamoto, H; Salamanna, G; Salamon, A; Saleem, M; Salihagic, D; Salnikov, A; Salt, J; Salvachua Ferrando, B M; Salvatore, D; Salvatore, F; Salvucci, A; Salzburger, A; Sampsonidis, D; Samset, B H; Sanchez, A; Sandaker, H; Sander, H G; Sanders, M P; Sandhoff, M; Sandoval, T; Sandoval, C; Sandstroem, R; Sandvoss, S; Sankey, D P C; Sansoni, A; Santamarina Rios, C; Santoni, C; Santonico, R; Santos, H; Saraiva, J G; Sarangi, T; Sarkisyan-Grinbaum, E; Sarri, F; Sartisohn, G; Sasaki, O; Sasao, N; Satsounkevitch, I; Sauvage, G; Sauvan, E; Sauvan, J B; Savard, P; Savinov, V; Savu, D O; Sawyer, L; Saxon, D H; Says, L P; Sbarra, C; Sbrizzi, A; Scallon, O; Scannicchio, D A; Scarcella, M; Schaarschmidt, J; Schacht, P; Schäfer, U; Schaepe, S; Schaetzel, S; Schaffer, A C; Schaile, D; Schamberger, R D; Schamov, A G; Scharf, V; Schegelsky, V A; Scheirich, D; Schernau, M; Scherzer, M I; Schiavi, C; Schieck, J; Schioppa, M; Schlenker, S; Schlereth, J L; Schmidt, E; Schmieden, K; Schmitt, C; Schmitt, S; Schmitz, M; Schöning, A; Schott, M; Schouten, D; Schovancova, J; Schram, M; Schroeder, C; Schroer, N; Schuh, S; Schuler, G; Schultes, J; Schultz-Coulon, H-C; Schulz, H; Schumacher, J W; Schumacher, M; Schumm, B A; Schune, Ph; Schwanenberger, C; Schwartzman, A; Schwemling, Ph; Schwienhorst, R; Schwierz, R; Schwindling, J; Schwindt, T; Schwoerer, M; Scott, W G; Searcy, J; Sedov, G; Sedykh, E; Segura, E; Seidel, S C; Seiden, A; Seifert, F; Seixas, J M; Sekhniaidze, G; Selbach, K E; Seliverstov, D M; Sellden, B; Sellers, G; Seman, M; Semprini-Cesari, N; Serfon, C; Serin, L; Seuster, R; Severini, H; Sevior, M E; Sfyrla, A; Shabalina, E; Shamim, M; Shan, L Y; Shank, J T; Shao, Q T; Shapiro, M; Shatalov, P B; Shaver, L; Shaw, K; Sherman, D; Sherwood, P; Shibata, A; Shichi, H; Shimizu, S; Shimojima, M; Shin, T; Shiyakova, M; Shmeleva, A; Shochet, M J; Short, D; Shrestha, S; Shupe, M A; Sicho, P; Sidoti, A; Siegert, F; Sijacki, Dj; Silbert, O; Silva, J; Silver, Y; Silverstein, D; Silverstein, S B; Simak, V; Simard, O; Simic, Lj; Simion, S; Simmons, B; Simonyan, M; Sinervo, P; Sinev, N B; Sipica, V; Siragusa, G; Sircar, A; Sisakyan, A N; Sivoklokov, S Yu; Sjölin, J; Sjursen, T B; Skinnari, L A; Skottowe, H P; Skovpen, K; Skubic, P; Skvorodnev, N; Slater, M; Slavicek, T; Sliwa, K; Sloper, J; Smakhtin, V; Smirnov, S Yu; Smirnova, L N; Smirnova, O; Smith, B C; Smith, D; Smith, K M; Smizanska, M; Smolek, K; Snesarev, A A; Snow, S W; Snow, J; Snuverink, J; Snyder, S; Soares, M; Sobie, R; Sodomka, J; Soffer, A; Solans, C A; Solar, M; Solc, J; Soldatov, E; Soldevila, U; Solfaroli Camillocci, E; Solodkov, A A; Solovyanov, O V; Soni, N; Sopko, V; Sopko, B; Sosebee, M; Soualah, R; Soukharev, A; Spagnolo, S; Spanò, F; Spighi, R; Spigo, G; Spila, F; Spiwoks, R; Spousta, M; Spreitzer, T; Spurlock, B; St Denis, R D; Stahl, T; Stahlman, J; Stamen, R; Stanecka, E; Stanek, R W; Stanescu, C; Stapnes, S; Starchenko, E A; Stark, J; Staroba, P; Starovoitov, P; Staude, A; Stavina, P; Stavropoulos, G; Steele, G; Steinbach, P; Steinberg, P; Stekl, I; Stelzer, B; Stelzer, H J; Stelzer-Chilton, O; Stenzel, H; Stern, S; Stevenson, K; Stewart, G A; Stillings, J A; Stockton, M C; Stoerig, K; Stoicea, G; Stonjek, S; Strachota, P; Stradling, A R; Straessner, A; Strandberg, J; Strandberg, S; Strandlie, A; Strang, M; Strauss, E; Strauss, M; Strizenec, P; Ströhmer, R; Strom, D M; Strong, J A; Stroynowski, R; Strube, J; Stugu, B; Stumer, I; Stupak, J; Sturm, P; Styles, N A; Soh, D A; Su, D; Subramania, Hs; Succurro, A; Sugaya, Y; Sugimoto, T; Suhr, C; Suita, K; Suk, M; Sulin, V V; Sultansoy, S; Sumida, T; Sun, X; Sundermann, J E; Suruliz, K; Sushkov, S; Susinno, G; Sutton, M R; Suzuki, Y; Suzuki, Y; Svatos, M; Sviridov, Yu M; Swedish, S; Sykora, I; Sykora, T; Szeless, B; Sánchez, J; Ta, D; Tackmann, K; Taffard, A; Tafirout, R; Taiblum, N; Takahashi, Y; Takai, H; Takashima, R; Takeda, H; Takeshita, T; Takubo, Y; Talby, M; Talyshev, A; Tamsett, M C; Tanaka, J; Tanaka, R; Tanaka, S; Tanaka, S; Tanaka, Y; Tanasijczuk, A J; Tani, K; Tannoury, N; Tappern, G P; Tapprogge, S; Tardif, D; Tarem, S; Tarrade, F; Tartarelli, G F; Tas, P; Tasevsky, M; Tassi, E; Tatarkhanov, M; Tayalati, Y; Taylor, C; Taylor, F E; Taylor, G N; Taylor, W; Teinturier, M; Teixeira Dias Castanheira, M; Teixeira-Dias, P; Temming, K K; Ten Kate, H; Teng, P K; Terada, S; Terashi, K; Terron, J; Testa, M; Teuscher, R J; Thadome, J; Therhaag, J; Theveneaux-Pelzer, T; Thioye, M; Thoma, S; Thomas, J P; Thompson, E N; Thompson, P D; Thompson, P D; Thompson, A S; Thomson, E; Thomson, M; Thun, R P; Tian, F; Tibbetts, M J; Tic, T; Tikhomirov, V O; Tikhonov, Y A; Timoshenko, S; Tipton, P; Tique Aires Viegas, F J; Tisserant, S; Toczek, B; Todorov, T; Todorova-Nova, S; Toggerson, B; Tojo, J; Tokár, S; Tokunaga, K; Tokushuku, K; Tollefson, K; Tomoto, M; Tompkins, L; Toms, K; Tong, G; Tonoyan, A; Topfel, C; Topilin, N D; Torchiani, I; Torrence, E; Torres, H; Torró Pastor, E; Toth, J; Touchard, F; Tovey, D R; Trefzger, T; Tremblet, L; Tricoli, A; Trigger, I M; Trincaz-Duvoid, S; Trinh, T N; Tripiana, M F; Trischuk, W; Trivedi, A; Trocmé, B; Troncon, C; Trottier-McDonald, M; Trzebinski, M; Trzupek, A; Tsarouchas, C; Tseng, J C-L; Tsiakiris, M; Tsiareshka, P V; Tsionou, D; Tsipolitis, G; Tsiskaridze, V; Tskhadadze, E G; Tsukerman, I I; Tsulaia, V; Tsung, J-W; Tsuno, S; Tsybychev, D; Tua, A; Tudorache, A; Tudorache, V; Tuggle, J M; Turala, M; Turecek, D; Turk Cakir, I; Turlay, E; Turra, R; Tuts, P M; Tykhonov, A; Tylmad, M; Tyndel, M; Tzanakos, G; Uchida, K; Ueda, I; Ueno, R; Ugland, M; Uhlenbrock, M; Uhrmacher, M; Ukegawa, F; Unal, G; Underwood, D G; Undrus, A; Unel, G; Unno, Y; Urbaniec, D; Usai, G; Uslenghi, M; Vacavant, L; Vacek, V; Vachon, B; Vahsen, S; Valenta, J; Valente, P; Valentinetti, S; Valkar, S; Valladolid Gallego, E; Vallecorsa, S; Valls Ferrer, J A; van der Graaf, H; van der Kraaij, E; Van Der Leeuw, R; van der Poel, E; van der Ster, D; van Eldik, N; van Gemmeren, P; van Kesteren, Z; van Vulpen, I; Vanadia, M; Vandelli, W; Vandoni, G; Vaniachine, A; Vankov, P; Vannucci, F; Varela Rodriguez, F; Vari, R; Varnes, E W; Varouchas, D; Vartapetian, A; Varvell, K E; Vassilakopoulos, V I; Vazeille, F; Vegni, G; Veillet, J J; Vellidis, C; Veloso, F; Veness, R; Veneziano, S; Ventura, A; Ventura, D; Venturi, M; Venturi, N; Vercesi, V; Verducci, M; Verkerke, W; Vermeulen, J C; Vest, A; Vetterli, M C; Vichou, I; Vickey, T; Vickey Boeriu, O E; Viehhauser, G H A; Viel, S; Villa, M; Villaplana Perez, M; Vilucchi, E; Vincter, M G; Vinek, E; Vinogradov, V B; Virchaux, M; Virzi, J; Vitells, O; Viti, M; Vivarelli, I; Vives Vaque, F; Vlachos, S; Vladoiu, D; Vlasak, M; Vlasov, N; Vogel, A; Vokac, P; Volpi, G; Volpi, M; Volpini, G; von der Schmitt, H; von Loeben, J; von Radziewski, H; von Toerne, E; Vorobel, V; Vorobiev, A P; Vorwerk, V; Vos, M; Voss, R; Voss, T T; Vossebeld, J H; Vranjes, N; Vranjes Milosavljevic, M; Vrba, V; Vreeswijk, M; Vu Anh, T; Vuillermet, R; Vukotic, I; Wagner, W; Wagner, P; Wahlen, H; Wakabayashi, J; Walbersloh, J; Walch, S; Walder, J; Walker, R; Walkowiak, W; Wall, R; Waller, P; Wang, C; Wang, H; Wang, H; Wang, J; Wang, J; Wang, J C; Wang, R; Wang, S M; Warburton, A; Ward, C P; Warsinsky, M; Watkins, P M; Watson, A T; Watson, I J; Watson, M F; Watts, G; Watts, S; Waugh, A T; Waugh, B M; Weber, M; Weber, M S; Weber, P; Weidberg, A R; Weigell, P; Weingarten, J; Weiser, C; Wellenstein, H; Wells, P S; Wen, M; Wenaus, T; Wendler, S; Weng, Z; Wengler, T; Wenig, S; Wermes, N; Werner, M; Werner, P; Werth, M; Wessels, M; Weydert, C; Whalen, K; Wheeler-Ellis, S J; Whitaker, S P; White, A; White, M J; Whitehead, S R; Whiteson, D; Whittington, D; Wicek, F; Wicke, D; Wickens, F J; Wiedenmann, W; Wielers, M; Wienemann, P; Wiglesworth, C; Wiik-Fuchs, L A M; Wijeratne, P A; Wildauer, A; Wildt, M A; Wilhelm, I; Wilkens, H G; Will, J Z; Williams, E; Williams, H H; Willis, W; Willocq, S; Wilson, J A; Wilson, M G; Wilson, A; Wingerter-Seez, I; Winkelmann, S; Winklmeier, F; Wittgen, M; Wolter, M W; Wolters, H; Wong, W C; Wooden, G; Wosiek, B K; Wotschack, J; Woudstra, M J; Wozniak, K W; Wraight, K; Wright, C; Wright, M; Wrona, B; Wu, S L; Wu, X; Wu, Y; Wulf, E; Wunstorf, R; Wynne, B M; Xella, S; Xiao, M; Xie, S; Xie, Y; Xu, C; Xu, D; Xu, G; Yabsley, B; Yacoob, S; Yamada, M; Yamaguchi, H; Yamamoto, A; Yamamoto, K; Yamamoto, S; Yamamura, T; Yamanaka, T; Yamaoka, J; Yamazaki, T; Yamazaki, Y; Yan, Z; Yang, H; Yang, U K; Yang, Y; Yang, Y; Yang, Z; Yanush, S; Yao, Y; Yasu, Y; Ybeles Smit, G V; Ye, J; Ye, S; Yilmaz, M; Yoosoofmiya, R; Yorita, K; Yoshida, R; Young, C; Youssef, S; Yu, D; Yu, J; Yu, J; Yuan, L; Yurkewicz, A; Zabinski, B; Zaets, V G; Zaidan, R; Zaitsev, A M; Zajacova, Z; Zanello, L; Zarzhitsky, P; Zaytsev, A; Zeitnitz, C; Zeller, M; Zeman, M; Zemla, A; Zendler, C; Zenin, O; Zeniš, T; Zinonos, Z; Zenz, S; Zerwas, D; Zevi Della Porta, G; Zhan, Z; Zhang, D; Zhang, H; Zhang, J; Zhang, X; Zhang, Z; Zhao, L; Zhao, T; Zhao, Z; Zhemchugov, A; Zheng, S; Zhong, J; Zhou, B; Zhou, N; Zhou, Y; Zhu, C G; Zhu, H; Zhu, J; Zhu, Y; Zhuang, X; Zhuravlov, V; Zieminska, D; Zimmermann, R; Zimmermann, S; Zimmermann, S; Ziolkowski, M; Zitoun, R; Zivković, L; Zmouchko, V V; Zobernig, G; Zoccoli, A; Zolnierowski, Y; Zsenei, A; Zur Nedden, M; Zutshi, V; Zwalinski, L

    2012-06-22

    A search for the decay of a light Higgs boson (120-140 GeV) to a pair of weakly interacting, long-lived particles in 1.94 fb(-1) of proton-proton collisions at sqrt[s] = 7 TeV recorded in 2011 by the ATLAS detector is presented. The search strategy requires that both long-lived particles decay inside the muon spectrometer. No excess of events is observed above the expected background and limits on the Higgs boson production times branching ratio to weakly interacting, long-lived particles are derived as a function of the particle proper decay length.

  16. Results on the spin-dependent scattering of weakly interacting massive particles on nucleons from the Run 3 Data of the LUX Experiment

    SciTech Connect

    Akerib, D. S.

    2016-04-20

    Here, we present experimental constraints on the spin-dependent WIMP (weakly interacting massive particle)-nucleon elastic cross sections from LUX data acquired in 2013. LUX is a dual-phase xenon time projection chamber operating at the Sanford Underground Research Facility (Lead, South Dakota), which is designed to observe the recoil signature of galactic WIMPs scattering from xenon nuclei. A profile likelihood ratio analysis of 1.4 × 104 kg day of fiducial exposure allows 90% C.L. upper limits to be set on the WIMP-neutron (WIMP-proton) cross section of σn = 9.4 × 10–41 cm2p = 2.9 × 10–39 cm2) at 33 GeV/c2. The spin-dependent WIMP-neutron limit is the most sensitive constraint to date.

  17. AN INDIRECT SEARCH FOR WEAKLY INTERACTING MASSIVE PARTICLES IN THE SUN USING 3109.6 DAYS OF UPWARD-GOING MUONS IN SUPER-KAMIOKANDE

    SciTech Connect

    Tanaka, T.; Abe, K.; Hayato, Y.; Iida, T.; Kameda, J.; Koshio, Y.; Kouzuma, Y.; Miura, M.; Moriyama, S.; Nakahata, M.; Nakayama, S.; Obayashi, Y.; Sekiya, H.; Shiozawa, M.; Suzuki, Y.; Takeda, A.; Takenaga, Y.; Ueno, K.; Ueshima, K.; Yamada, S.; Collaboration: Super-Kamiokande Collaboration; and others

    2011-12-01

    We present the result of an indirect search for high energy neutrinos from Weakly Interacting Massive Particle (WIMP) annihilation in the Sun using upward-going muon (upmu) events at Super-Kamiokande. Data sets from SKI-SKIII (3109.6 days) were used for the analysis. We looked for an excess of neutrino signal from the Sun as compared with the expected atmospheric neutrino background in three upmu categories: stopping, non-showering, and showering. No significant excess was observed. The 90% C.L. upper limits of upmu flux induced by WIMPs of 100 GeV c{sup -2} were 6.4 Multiplication-Sign 10{sup -15} cm{sup -2} s{sup -1} and 4.0 Multiplication-Sign 10{sup -15} cm{sup -2} s{sup -1} for the soft and hard annihilation channels, respectively. These limits correspond to upper limits of 4.5 Multiplication-Sign 10{sup -39} cm{sup -2} and 2.7 Multiplication-Sign 10{sup -40} cm{sup -2} for spin-dependent WIMP-nucleon scattering cross sections in the soft and hard annihilation channels, respectively.

  18. Transfer of a weakly bound electron in collisions of Rydberg atoms with neutral particles. I. Long-range interaction effects in the ionic-covalent coupling

    SciTech Connect

    Lebedev, V. S. Narits, A. A.

    2013-10-15

    Ion-pair formation processes are studied in collisions of Rydberg atoms with neutral particles possessing small electron affinities. Nonadiabatic transitions from a Rydberg covalent term to an ionic term of a quasi-molecule are considered using the modified Landau-Zener theory supplemented with calculation of survival factors of an anion decaying in the Coulomb field of a positive ion core. Using the technique of irreducible tensor operators and the momentum representation of the wavefunction of a highly excited atom, exact expressions are obtained for transition matrix elements and the ionic-covalent coupling parameter. The approach developed in the paper provides the description beyond the scope of a conventional assumption about a small variation of the wavefunction of the Rydberg atom on the range of electron coordinates determined by the characteristic radius of the wavefunction of the anion. This allows one to correctly consider long-range effects of the interaction between a weakly bound electron and the neutral core of a negative ion in processes under study. It is shown by the example of thermal collisions of Xe(nf) atoms with CH{sub 3}CN molecules that this is very important for a reliable quantitative description of anion formation with a low binding energy. The results are compared with experiments and calculations performed within the framework of a number of approximate methods.

  19. Identification of weak points of hepatitis C virus NS3 protease inhibitors using surface plasmon resonance biosensor-based interaction kinetic analysis and genetic variants.

    PubMed

    Svahn Gustafsson, Sofia; Ehrenberg, Angelica; Schmuck, Benjamin; Anwar, Muhammad Ikram; Danielson, U Helena

    2014-03-13

    To aid the design of next generation hepatitis C virus (HCV) drugs, the kinetics of the interactions between NS3 protease inhibitors and enzyme from genotypes 1a, 1b, and 3a have been characterized. The linear mechanism-based inhibitors VX-950 (telaprevir) and SCH 503034 (boceprevir) benefited from covalent adduct formation. However, the apparent affinities were rather weak (VX-950, K(D)* of 340, 8.5, and 1000 nM for genotypes 1a, 1b and 3a, respectively; SCH 503034, K(D)* of 90 and 3.9 nM for 1b and 3a, respectively). The non-mechanism-based macrocyclic inhibitors BILN-2016 (ciluprevir) and ITMN-191 (danoprevir) had faster association and slower dissociation kinetics, indicating that rigidification is kinetically favorable. ITMN-191 had nanomolar affinities for all genotypes (K(D)* of 0.13, 1.6, and 0.52 nM), suggesting that a broad spectrum drug is conceivable. The data show that macrocyclic scaffolds and mechanism-based inhibition are advantageous but that there is considerable room for improvement of the kinetics of HCV protease targeted drugs.

  20. Structural and Thermodynamic Basis for Weak Interactions between Dihydrolipoamide Dehydrogenase and Subunit-binding Domain of the Branched-chain α-Ketoacid Dehydrogenase Complex*

    PubMed Central

    Brautigam, Chad A.; Wynn, R. Max; Chuang, Jacinta L.; Naik, Mandar T.; Young, Brittany B.; Huang, Tai-huang; Chuang, David T.

    2011-01-01

    The purified mammalian branched-chain α-ketoacid dehydrogenase complex (BCKDC), which catalyzes the oxidative decarboxylation of branched-chain α-keto acids, is essentially devoid of the constituent dihydrolipoamide dehydrogenase component (E3). The absence of E3 is associated with the low affinity of the subunit-binding domain of human BCKDC (hSBDb) for hE3. In this work, sequence alignments of hSBDb with the E3-binding domain (E3BD) of the mammalian pyruvate dehydrogenase complex show that hSBDb has an arginine at position 118, where E3BD features an asparagine. Substitution of Arg-118 with an asparagine increases the binding affinity of the R118N hSBDb variant (designated hSBDb*) for hE3 by nearly 2 orders of magnitude. The enthalpy of the binding reaction changes from endothermic with the wild-type hSBDb to exothermic with the hSBDb* variant. This higher affinity interaction allowed the determination of the crystal structure of the hE3/hSBDb* complex to 2.4-Å resolution. The structure showed that the presence of Arg-118 poses a unique, possibly steric and/or electrostatic incompatibility that could impede E3 interactions with the wild-type hSBDb. Compared with the E3/E3BD structure, the hE3/hSBDb* structure has a smaller interfacial area. Solution NMR data corroborated the interactions of hE3 with Arg-118 and Asn-118 in wild-type hSBDb and mutant hSBDb*, respectively. The NMR results also showed that the interface between hSBDb and hE3 does not change significantly from hSBDb to hSBDb*. Taken together, our results represent a starting point for explaining the long standing enigma that the E2b core of the BCKDC binds E3 far more weakly relative to other α-ketoacid dehydrogenase complexes. PMID:21543315

  1. Structural and Thermodynamic Basis for Weak Interactions between Dihydrolipoamide Dehydrogenase and Subunit-binding Domain of the Branched-chain [alpha]-Ketoacid Dehydrogenase Complex

    SciTech Connect

    Brautigam, Chad A.; Wynn, R. Max; Chuang, Jacinta L.; Naik, Mandar T.; Young, Brittany B.; Huang, Tai-huang; Chuang, David T.

    2012-02-27

    The purified mammalian branched-chain {alpha}-ketoacid dehydrogenase complex (BCKDC), which catalyzes the oxidative decarboxylation of branched-chain {alpha}-keto acids, is essentially devoid of the constituent dihydrolipoamide dehydrogenase component (E3). The absence of E3 is associated with the low affinity of the subunit-binding domain of human BCKDC (hSBDb) for hE3. In this work, sequence alignments of hSBDb with the E3-binding domain (E3BD) of the mammalian pyruvate dehydrogenase complex show that hSBDb has an arginine at position 118, where E3BD features an asparagine. Substitution of Arg-118 with an asparagine increases the binding affinity of the R118N hSBDb variant (designated hSBDb*) for hE3 by nearly 2 orders of magnitude. The enthalpy of the binding reaction changes from endothermic with the wild-type hSBDb to exothermic with the hSBDb* variant. This higher affinity interaction allowed the determination of the crystal structure of the hE3/hSBDb* complex to 2.4-{angstrom} resolution. The structure showed that the presence of Arg-118 poses a unique, possibly steric and/or electrostatic incompatibility that could impede E3 interactions with the wild-type hSBDb. Compared with the E3/E3BD structure, the hE3/hSBDb* structure has a smaller interfacial area. Solution NMR data corroborated the interactions of hE3 with Arg-118 and Asn-118 in wild-type hSBDb and mutant hSBDb*, respectively. The NMR results also showed that the interface between hSBDb and hE3 does not change significantly from hSBDb to hSBDb*. Taken together, our results represent a starting point for explaining the long standing enigma that the E2b core of the BCKDC binds E3 far more weakly relative to other {alpha}-ketoacid dehydrogenase complexes.

  2. Benchmarking Semiempirical Methods for Thermochemistry, Kinetics, and Noncovalent Interactions: OMx Methods Are Almost As Accurate and Robust As DFT-GGA Methods for Organic Molecules.

    PubMed

    Korth, Martin; Thiel, Walter

    2011-09-13

    Semiempirical quantum mechanical (SQM) methods offer a fast approximate treatment of the electronic structure and the properties of large molecules. Careful benchmarks are required to establish their accuracy. Here, we report a validation of standard SQM methods using a subset of the comprehensive GMTKN24 database for general main group thermochemistry, kinetics, and noncovalent interactions, which has recently been introduced to evaluate density functional theory (DFT) methods ( J. Chem. Theory Comput. 2010 , 6 , 107 ). For all SQM methods considered presently, parameters are available for the elements H, C, N, and O, and consequently, we have extracted from the GMTKN24 database all species containing only these four elements (excluding multireference cases). The resulting GMTKN24-hcno database has 370 entries (derived from 593 energies) compared with 715 entries (derived from 1033 energies) in the original GMTKN24 database. The current benchmark covers established standard SQM methods (AM1, PM6), more recent approaches with orthogonalization corrections (OM1, OM2, OM3), and the self-consistent-charge density functional tight binding method (SCC-DFTB). The results are compared against each other and against DFT results using standard functionals. We find that the OMx methods outperform AM1, PM6, and SCC-DFTB by a significant margin, with a substantial gain in accuracy especially for OM2 and OM3. These latter methods are quite accurate even in comparison with DFT, with an overall mean absolute deviation of 6.6 kcal/mol for PBE and 7.9 kcal/mol for OM3. The OMx methods are also remarkably robust with regard to the unusual bonding situations encountered in the "mindless" MB08-165 test set, for which all other SQM methods fail badly.

  3. Preparation of a novel weak cation exchange/hydrophobic interaction chromatography dual-function polymer-based stationary phase for protein separation using "thiol-ene click chemistry".

    PubMed

    Yang, Fan; Bai, Quan; Zhao, Kailou; Gao, Dong; Tian, Lei

    2015-02-01

    A novel dual-function mixed-mode stationary phase based on poly(glycidyl methacrylate-co-ethylene dimethacrylate) microspheres was synthesized by thiol-ene click chemistry and characterized by infrared spectroscopy and elemental analysis. The new system displays both hydrophobic interaction chromatography (HIC) character in a high salt concentration mobile phase, and weak cation exchange (WCX) chromatography character in a low salt concentration mobile phase. It can be used to separate proteins in both ion-exchange chromatography (IEC) mode and HIC mode. The resolution and selectivity of the stationary phase were evaluated in both HIC mode and IEC mode using protein standards. In comparison with the conventional WCX and HIC columns, the results were satisfactory and acceptable. Protein mass and bioactivity recoveries of more than 96% can be achieved in both HIC mode and IEC mode using this column. The results indicate that the novel dual-function mixed-mode column in many cases can replace the use of two individual WCX and HIC columns. In addition, the effects on protein separation of different ligand structures in the dual-function stationary phase and the pH of the mobile phase used were also investigated in detail. The results show that electrostatic interaction of the ligand with proteins must match the hydrophobicity of the ligand, which is an important factor to prepare the dual-function stationary phase. On the basis of this dual-function mixed-mode chromatography column, a new two-dimensional liquid chromatography technology with a single column system was also developed in this study, and was used to renature and purify recombinant human interferon-γ from inclusion bodies. The mass recovery, purity, and specific bioactivity obtained for the purified recombinant human interferon-γ were 87.2%, 92.4%, and 2.8 × 10(7) IU/mg, respectively, in IEC mode, and 83.4%, 95.2%, and 4.3 × 10(7) IU/mg, respectively, in HIC mode. The results indicate that the

  4. Intestinal Transport of Weak Electrolytes

    PubMed Central

    Jackson, Michael J.; Shiau, Yih-Fu; Bane, Susan; Fox, Margaret

    1974-01-01

    A study has been made of the transmural fluxes of benzoic, phenylacetic, and pentanoic acids, benzylamine, hexylamine, and D-amphetamine across rat jejunum incubated in vitro. The M to S fluxes of the weak acids were greater than their corresponding S to M fluxes, and the S to M fluxes of the weak bases were larger than their M to S fluxes. These patterns of asymmetric movements were observed when the transmural electrical potential difference was clamped at 0 mV, and when the pH values of the mucosal and serosal fluids were identical. The effects of a weak acid on the fluxes of other weak electrolytes were qualitatively similar when the effector weak acid was added to the mucosal fluid, and when it was added to the serosal fluid. But the effects of a weak base on the fluxes of other weak electrolytes were dependent upon its location, and the interactions observed when the effector weak base was added to the mucosal fluid were qualitatively different than those seen when it was added to the serosal fluid. The interactions between weak electrolytes could readily be explained in terms of the function of a system of three compartments in series, in which the pH of the intermediate compartment is greater than that of the bulk phases. But these observations could not be explained in terms of an analogous system involving an intermediate compartment of low pH, or in terms of a carrier mediated system. The transport function of the three-compartment system can be described in the form of an equation, and it is found that a pH difference of less than 0.5 unit may explain our observations on weak electrolyte transport. PMID:4812635

  5. Weak Deeply Virtual Compton Scattering

    SciTech Connect

    Ales Psaker; Wolodymyr Melnitchouk; Anatoly Radyushkin

    2007-03-01

    We extend the analysis of the deeply virtual Compton scattering process to the weak interaction sector in the generalized Bjorken limit. The virtual Compton scattering amplitudes for the weak neutral and charged currents are calculated at the leading twist within the framework of the nonlocal light-cone expansion via coordinate space QCD string operators. Using a simple model, we estimate cross sections for neutrino scattering off the nucleon, relevant for future high intensity neutrino beam facilities.

  6. Accurate van der Waals coefficients from density functional theory

    PubMed Central

    Tao, Jianmin; Perdew, John P.; Ruzsinszky, Adrienn

    2012-01-01

    The van der Waals interaction is a weak, long-range correlation, arising from quantum electronic charge fluctuations. This interaction affects many properties of materials. A simple and yet accurate estimate of this effect will facilitate computer simulation of complex molecular materials and drug design. Here we develop a fast approach for accurate evaluation of dynamic multipole polarizabilities and van der Waals (vdW) coefficients of all orders from the electron density and static multipole polarizabilities of each atom or other spherical object, without empirical fitting. Our dynamic polarizabilities (dipole, quadrupole, octupole, etc.) are exact in the zero- and high-frequency limits, and exact at all frequencies for a metallic sphere of uniform density. Our theory predicts dynamic multipole polarizabilities in excellent agreement with more expensive many-body methods, and yields therefrom vdW coefficients C6, C8, C10 for atom pairs with a mean absolute relative error of only 3%. PMID:22205765

  7. Precision metrology using weak measurements.

    PubMed

    Zhang, Lijian; Datta, Animesh; Walmsley, Ian A

    2015-05-29

    Weak values and measurements have been proposed as a means to achieve dramatic enhancements in metrology based on the greatly increased range of possible measurement outcomes. Unfortunately, the very large values of measurement outcomes occur with highly suppressed probabilities. This raises three vital questions in weak-measurement-based metrology. Namely, (Q1) Does postselection enhance the measurement precision? (Q2) Does weak measurement offer better precision than strong measurement? (Q3) Is it possible to beat the standard quantum limit or to achieve the Heisenberg limit with weak measurement using only classical resources? We analyze these questions for two prototypical, and generic, measurement protocols and show that while the answers to the first two questions are negative for both protocols, the answer to the last is affirmative for measurements with phase-space interactions, and negative for configuration space interactions. Our results, particularly the ability of weak measurements to perform at par with strong measurements in some cases, are instructive for the design of weak-measurement-based protocols for quantum metrology.

  8. Weak- and hyperfine-interaction-induced 1s2s 1S0 → 1s2 1S0 E1 transition rates of He-like ions

    NASA Astrophysics Data System (ADS)

    Laima, Radžiūtė; Erikas, Gaidamauskas; Gediminas, Gaigalas; Li, Ji-Guang; Dong, Chen-Zhong; Jönsson, Per

    2015-04-01

    Weak- and hyperfine-interaction-induced 1s2s 1S0 → 1s2 1S0 E1 transition rates for the isoelectronic sequence of He-like ions have been calculated using the multi-configuration Dirac-Hartree-Fock (MCDHF) and relativistic configuration interaction methods. The results should be helpful for the future experimental investigations of parity non-conservation effects. Project supported by the National Natural Science Foundation of China (Grant Nos. 11274254, 11147108, 10979007, U1331122, and U1332206) and in part by the National Basic Research Program of China (Grant No. 2013CB922200).

  9. Quenching of internal rotations versus collisional cooling at ultralow energies for weakly interacting partners: Cs{sub 2}({sup 3{Sigma}}{sub u}{sup +}) with {sup 3,4}He

    SciTech Connect

    Caruso, D.; Tacconi, M.; Gianturco, F. A.; Yurtsever, E.

    2010-04-15

    Quantum-scattering calculations at ultralow (close to 10{sup -6} cm{sup -1}) collision energies are carried out for the Cs dimer in its spin-stretched triplet state, interacting with helium. An ab initio potential energy surface is computed and employed, while the target molecule is kept in its ground vibrational state and several excitated initial rotational states are considered in the quantum dynamics. The highly anisotropic interaction is seen to cause, in spite of its weakness, internal energy quenching rates comparable with the efficiency of the collisional cooling of relative kinetic energies. The rates of spin-flip processes are also analyzed and compared with pure rotational quenching events.

  10. Weakly relativistic plasma expansion

    SciTech Connect

    Fermous, Rachid Djebli, Mourad

    2015-04-15

    Plasma expansion is an important physical process that takes place in laser interactions with solid targets. Within a self-similar model for the hydrodynamical multi-fluid equations, we investigated the expansion of both dense and under-dense plasmas. The weakly relativistic electrons are produced by ultra-intense laser pulses, while ions are supposed to be in a non-relativistic regime. Numerical investigations have shown that relativistic effects are important for under-dense plasma and are characterized by a finite ion front velocity. Dense plasma expansion is found to be governed mainly by quantum contributions in the fluid equations that originate from the degenerate pressure in addition to the nonlinear contributions from exchange and correlation potentials. The quantum degeneracy parameter profile provides clues to set the limit between under-dense and dense relativistic plasma expansions at a given density and temperature.

  11. A systematic approach for the accurate non-invasive estimation of blood glucose utilizing a novel light-tissue interaction adaptive modelling scheme

    NASA Astrophysics Data System (ADS)

    Rybynok, V. O.; Kyriacou, P. A.

    2007-10-01

    Diabetes is one of the biggest health challenges of the 21st century. The obesity epidemic, sedentary lifestyles and an ageing population mean prevalence of the condition is currently doubling every generation. Diabetes is associated with serious chronic ill health, disability and premature mortality. Long-term complications including heart disease, stroke, blindness, kidney disease and amputations, make the greatest contribution to the costs of diabetes care. Many of these long-term effects could be avoided with earlier, more effective monitoring and treatment. Currently, blood glucose can only be monitored through the use of invasive techniques. To date there is no widely accepted and readily available non-invasive monitoring technique to measure blood glucose despite the many attempts. This paper challenges one of the most difficult non-invasive monitoring techniques, that of blood glucose, and proposes a new novel approach that will enable the accurate, and calibration free estimation of glucose concentration in blood. This approach is based on spectroscopic techniques and a new adaptive modelling scheme. The theoretical implementation and the effectiveness of the adaptive modelling scheme for this application has been described and a detailed mathematical evaluation has been employed to prove that such a scheme has the capability of extracting accurately the concentration of glucose from a complex biological media.

  12. Weak Decays of Excited B Mesons.

    PubMed

    Grinstein, B; Martin Camalich, J

    2016-04-08

    We investigate the decays of the excited (bq[over ¯]) mesons as probes of the short-distance structure of the weak ΔB=1 transitions. These states are unstable under the electromagnetic or strong interactions, although their widths are typically suppressed by phase space. Compared to the pseudoscalar B meson, the purely leptonic decays of the vector B^{*} are not chirally suppressed and are sensitive to different combinations of the underlying weak effective operators. An interesting example is B_{s}^{*}→ℓ^{+}ℓ^{-}, which has a rate that can be accurately predicted in the standard model. The branching fraction is B∼10^{-11}, irrespective of the lepton flavor and where the main uncertainty stems from the unmeasured and theoretically not well known B_{s}^{*} width. We discuss the prospects for producing this decay mode at the LHC and explore the possibility of measuring the B_{s}^{*}→ℓℓ amplitude, instead, through scattering experiments at the B_{s}^{*} resonance peak.

  13. Accurate quantum chemical calculations

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Taylor, Peter R.

    1989-01-01

    An important goal of quantum chemical calculations is to provide an understanding of chemical bonding and molecular electronic structure. A second goal, the prediction of energy differences to chemical accuracy, has been much harder to attain. First, the computational resources required to achieve such accuracy are very large, and second, it is not straightforward to demonstrate that an apparently accurate result, in terms of agreement with experiment, does not result from a cancellation of errors. Recent advances in electronic structure methodology, coupled with the power of vector supercomputers, have made it possible to solve a number of electronic structure problems exactly using the full configuration interaction (FCI) method within a subspace of the complete Hilbert space. These exact results can be used to benchmark approximate techniques that are applicable to a wider range of chemical and physical problems. The methodology of many-electron quantum chemistry is reviewed. Methods are considered in detail for performing FCI calculations. The application of FCI methods to several three-electron problems in molecular physics are discussed. A number of benchmark applications of FCI wave functions are described. Atomic basis sets and the development of improved methods for handling very large basis sets are discussed: these are then applied to a number of chemical and spectroscopic problems; to transition metals; and to problems involving potential energy surfaces. Although the experiences described give considerable grounds for optimism about the general ability to perform accurate calculations, there are several problems that have proved less tractable, at least with current computer resources, and these and possible solutions are discussed.

  14. Fast and accurate method for identifying high-quality protein-interaction modules by clique merging and its application to yeast.

    PubMed

    Zhang, Chi; Liu, Song; Zhou, Yaoqi

    2006-04-01

    Molecular networks in cells are organized into functional modules, where genes in the same module interact densely with each other and participate in the same biological process. Thus, identification of modules from molecular networks is an important step toward a better understanding of how cells function through the molecular networks. Here, we propose a simple, automatic method, called MC(2), to identify functional modules by enumerating and merging cliques in the protein-interaction data from large-scale experiments. Application of MC(2) to the S. cerevisiae protein-interaction data produces 84 modules, whose sizes range from 4 to 69 genes. The majority of the discovered modules are significantly enriched with a highly specific process term (at least 4 levels below root) and a specific cellular component in Gene Ontology (GO) tree. The average fraction of genes with the most enriched GO term for all modules is 82% for specific biological processes and 78% for specific cellular components. In addition, the predicted modules are enriched with coexpressed proteins. These modules are found to be useful for annotating unknown genes and uncovering novel functions of known genes. MC(2) is efficient, and takes only about 5 min to identify modules from the current yeast gene interaction network with a typical PC (Intel Xeon 2.5 GHz CPU and 512 MB memory). The CPU time of MC(2) is affordable (12 h) even when the number of interactions is increased by a factor of 10. MC(2) and its results are publicly available on http://theory.med.buffalo.edu/MC2.

  15. Postselected weak measurement beyond the weak value

    SciTech Connect

    Geszti, Tamas

    2010-04-15

    Closed expressions are derived for the quantum measurement statistics of pre- and postselected Gaussian particle beams. The weakness of the preselection step is shown to compete with the nonorthogonality of postselection in a transparent way. The approach is shown to be useful in analyzing postselection-based signal amplification, allowing measurements to be extended far beyond the range of validity of the well-known Aharonov-Albert-Vaidman limit. Additionally, the present treatment connects postselected weak measurement to the topic of phase-contrast microscopy.

  16. Pulsed electron spin nutation spectroscopy for weakly exchange-coupled multi-spin molecular systems with nuclear hyperfine couplings: a general approach to bi- and triradicals and determination of their spin dipolar and exchange interactions

    NASA Astrophysics Data System (ADS)

    Ayabe, Kazuki; Sato, Kazunobu; Nakazawa, Shigeaki; Nishida, Shinsuke; Sugisaki, Kenji; Ise, Tomoaki; Morita, Yasushi; Toyota, Kazuo; Shiomi, Daisuke; Kitagawa, Masahiro; Suzuki, Shuichi; Okada, Keiji; Takui, Takeji

    2013-10-01

    Weakly exchange-coupled biradicals have attracted much attention in terms of their dynamic nuclear polarisation application in NMR spectroscopy for biological systems or the use of synthetic electron-spin qubits in quantum information processing/quantum-computing technology. Analogues multi-partite molecular systems are important in entering a new phase of the relevant fields. Many stable organic biradicals known so far have nitrogen nuclei at their electron spin sites, where singly occupied molecular orbitals are dominating and large hyperfine couplings occur. A salient feature of such weakly exchange-coupled molecular systems in terms of electronic spin structures is underlain by small zero-field splitting (ZFS) parameters comparable with nuclear hyperfine and/or exchange interactions. Pulse-based electron spin nutation (ESN) spectroscopy of weakly exchange-coupled biradicals, applicable to oriented or non-oriented media, has proven to be a useful and facile approach to the determination of ZFS parameters, which reflect relatively short distances between unpaired electron spins. In the present study, we first treat two-dimensional single-crystal ESN spectroscopy (Q-band) of a 15N-labelled weakly exchange-coupled biradical, showing the nuclear hyperfine effects on the ESN phenomena from both the experimental and theoretical side. ESN spectroscopy is transition moment spectroscopy, in which the nutation frequency as a function of the microwave irradiation strength ω1 (angular frequency) for any cases of weakly exchange-coupled systems can be treated. The results provide a testing ground for the simplified but general approach to the ESN analysis. In this study, we have invoked single-crystal electron-electron double resonance measurements on a typical biradical well incorporated in a diamagnetic host lattice and checked the accuracy of our ESN analysis for the spin dipolar tensor and exchange interaction. Next, we extend the general approach to analogues multi

  17. New experimental possibility to search for the ratio of a possible T-violating amplitude to the weak-interaction amplitude in polarized neutron transmission through a polarized nuclear target

    SciTech Connect

    Lukashevich, V. V.; Aldushchenkov, A. V.; Dallman, D.

    2011-03-15

    This paper considers a spin-dependent neutron interaction with optical potentials (fields) from the strong interaction, the weak interaction, and an assumed T-violating interaction. The vector sum of these fields and their interferences determines an effective field of the target with an angular position in space due to polar and azimuthal angles. The phase of the azimuthal component is found to be the sum of two angles. The tangent of the first angle is equal to the ratio of the T-violating forward-scattering amplitude D to the weak-interaction amplitude C. The quantity is of interest. The tangent of the second angle depends on the spin rotation in the residual pseudomagnetic field of the target, and it can be treated as a background effect. This paper shows that the second angle has different signs in measurements with polarized and unpolarized neutrons; thus, two measurements allow it to be compensated for. In addition, the use of the Ramsey method of separated oscillatory fields for measurement of the neutron spin rotation angle, depending on the phase of the rf field in the Ramsey cell, allows a cosine-like spectrum to be measured. This spectrum is called a phase spectrum. The phase spectra measured with polarized and unpolarized targets have a phase shift. The measurements of this phase shift with polarized and nonpolarized neutrons at a p-wave resonance enable the ratio D/C to be isolated. We also describe the algorithm for separating the ratio D/C, taking into account the influence of the fringing fields of the Ramsey coil magnet and the target magnet.

  18. CP Violation, Neutral Currents, and Weak Equivalence

    DOE R&D Accomplishments Database

    Fitch, V. L.

    1972-03-23

    Within the past few months two excellent summaries of the state of our knowledge of the weak interactions have been presented. Correspondingly, we will not attempt a comprehensive review but instead concentrate this discussion on the status of CP violation, the question of the neutral currents, and the weak equivalence principle.

  19. Band-structure calculations of noble-gas and alkali halide solids using accurate Kohn-Sham potentials with self-interaction correction

    SciTech Connect

    Li, Y.; Krieger, J.B. ); Norman, M.R. ); Iafrate, G.J. )

    1991-11-15

    The optimized-effective-potential (OEP) method and a method developed recently by Krieger, Li, and Iafrate (KLI) are applied to the band-structure calculations of noble-gas and alkali halide solids employing the self-interaction-corrected (SIC) local-spin-density (LSD) approximation for the exchange-correlation energy functional. The resulting band gaps from both calculations are found to be in fair agreement with the experimental values. The discrepancies are typically within a few percent with results that are nearly the same as those of previously published orbital-dependent multipotential SIC calculations, whereas the LSD results underestimate the band gaps by as much as 40%. As in the LSD---and it is believed to be the case even for the exact Kohn-Sham potential---both the OEP and KLI predict valence-band widths which are narrower than those of experiment. In all cases, the KLI method yields essentially the same results as the OEP.

  20. Structure and dynamics of near-threshold leptons driven by dipolar interactions: an accurate computational study for the DNA purinic bases

    NASA Astrophysics Data System (ADS)

    Carelli, Fabio; Gianturco, Francesco Antonio

    2016-06-01

    The interaction of low-energy scattering electrons/positrons with molecular targets characterized by a "supercritical" permanent dipole moment (≳2.0 D) presents special physical characteristics that affect their spatial distributions, around the nuclear network of the molecular partners, both above and below the energy thresholds. Such special states are described as either dipole scattering states (DSS) above thresholds or as dipole bound states (DBS) below thresholds. The details of their respective behaviour will be presented and discussed in this work in the case of the purinic DNA bases of adenine and guanine. The behavior of the additional electron, in particular, will be discussed in detail by providing new computational results that will be related to the findings from recent experiments on the same DNA bases, confirming the transient electron's behaviour surmised by them. This work is affectionately dedicated to Michael Allan on the occasion of his official retirement. We wish to this dear friend and outstanding scientist many years to come in the happy pursuit of his many scientific interests.Contribution to the Topical Issue "Advances in Positron and Electron Scattering", edited by Paulo Limao-Vieira, Gustavo Garcia, E. Krishnakumar, James Sullivan, Hajime Tanuma and Zoran Petrovic.

  1. Weak neutral current chemistry

    SciTech Connect

    Mohan, R.

    1996-07-01

    Metal cluster organic complexes, neither atomic nor solid but in analogy to atomic nuclei and to mesoscopic systems, have unusual dynamics and catalytic properties. Organo-metal clusters as quintessence prebiotic enzymes could have originated the homochirality of the molecules from achiral precursors, controlled from the atomic-nucleus, with the initial product itself serving subsequently as chiral auxiliary transferring and amplifying the chirality in the autocatalytic process now. High resolution spectroscopic studies of diatomic molecules beginning now may lead to upper estimates of the interaction strength of weak neutral currents (WNG) with valence electrons of metal clusters and suggest kinetic pathways to dynamic symmetry breaking in the asymmetric synthesis of chiral molecules. An estimate of 10{sup {minus}5} kT (thousand times larger than for radiolysis) for the parity violating energy (PVE) could be sufficient to run an entropy driven spin-catalyzed asymmetric synthesis. Expect then, wherever there are metal clusters in interstellar dust or under the sea chiral molecular production. {copyright} {ital 1996 American Institute of Physics.}

  2. Weak neutral current chemistry

    NASA Astrophysics Data System (ADS)

    Mohan, R.

    1996-07-01

    Metal cluster organic complexes, neither atomic nor solid but in analogy to atomic nuclei and to mesoscopic systems, have unusual dynamics and catalytic properties. Organo-metal clusters as quintessence prebiotic enzymes could have originated the homochirality of the molecules from achiral precursors, controlled from the atomic-nucleus, with the initial product itself serving subsequently as chiral auxiliary transferring and amplifying the chirality in the autocatalytic process now. High resolution spectroscopic studies of diatomic molecules beginning now may lead to upper estimates of the interaction strength of weak neutral currents (WNG) with valence electrons of metal clusters and suggest kinetic pathways to dynamic symmetry breaking in the asymmetric synthesis of chiral molecules. An estimate of 10-5 kT (thousand times larger than for radiolysis) for the parity violating energy (PVE) could be sufficient to run an entropy driven spin-catalyzed asymmetric synthesis. Expect then, wherever there are metal clusters in interstellar dust or under the sea chiral molecular production.

  3. Weak localization and weak antilocalization in doped germanium epilayers

    NASA Astrophysics Data System (ADS)

    Newton, P. J.; Mansell, R.; Holmes, S. N.; Myronov, M.; Barnes, C. H. W.

    2017-02-01

    The magnetoresistance of 50 nm thick epilayers of doped germanium is measured at a range of temperatures down to 1.6 K. Both n- and p-type devices show quantum corrections to the conductivity in an applied magnetic field, with n-type devices displaying weak localization and p-type devices showing weak antilocalization. From fits to these data using the Hikami-Larkin-Nagaoka model, the phase coherence length of each device is extracted, as well as the spin diffusion length of the p-type device. We obtain phase coherence lengths as large as 325 nm in the highly doped n-type device, presenting possible applications in quantum technologies. The decay of the phase coherence length with temperature is found to obey the same power law of lϕ ∝ Tc, where c = -0.68 ± 0.03, for each device, in spite of the clear differences in the nature of the conduction. In the p-type device, the measured spin diffusion length does not change over the range of temperatures for which weak antilocalization can be observed. The presence of a spin-orbit interaction manifested as weak antilocalization in the p-type epilayer suggests that these structures could be developed for use in spintronic devices such as the spin-FET, where significant spin lifetimes would be important for efficient device operation.

  4. A weakly compressible SPH method based on a low-dissipation Riemann solver

    NASA Astrophysics Data System (ADS)

    Zhang, C.; Hu, X. Y.; Adams, N. A.

    2017-04-01

    We present a low-dissipation weakly-compressible SPH method for modeling free-surface flows exhibiting violent events such as impact and breaking. The key idea is to modify a Riemann solver which determines the interaction between particles by a simple limiter to decrease the intrinsic numerical dissipation. The modified Riemann solver is also extended for imposing wall boundary conditions. Numerical tests show that the method resolves free-surface flows accurately and produces smooth, accurate pressure fields. The method is compatible with the hydrostatic solution and exhibits considerably less numerical damping of the mechanical energy than previous methods.

  5. A Lagrangian approach to the weakly nonlinear interaction of Kelvin waves and a symmetry-breaking bifurcation of a rotating flow

    NASA Astrophysics Data System (ADS)

    Fukumoto, Yasuhide; Mie, Youichi

    2015-02-01

    We develop a general framework of using the Lagrangian variables for calculating the energy of waves on a steady Euler flow and the mean flow induced by their nonlinear interaction. With the mean flow at hand we can determine, without ambiguity, all the coefficients of the amplitude equations to third order in amplitude for a rotating flow subject to a steady perturbation breaking the circular symmetry of the streamlines. Moreover, a resonant triad of waves is identified which brings in the secondary instability of the Moore-Saffman-Tsai-Widnall instability, and with the aid of the energetic viewpoint, resonant amplification of the waves without bound is numerically confirmed.

  6. Robust Weak Measurements

    NASA Astrophysics Data System (ADS)

    Tollaksen, Jeff; Aharonov, Yakir

    2006-03-01

    We introduce a new type of weak measurement which yields a quantum average of weak values that is robust, outside the range of eigenvalues, extends the valid regime for weak measurements, and for which the probability of obtaining the pre- and post-selected ensemble is not exponentially rare. This result extends the applicability of weak values, shifts the statistical interpretation previously attributed to weak values and suggests that the weak value is a property of every pre- and post-selected ensemble. We then apply this new weak measurement to Hardy's paradox. Usually the paradox is dismissed on grounds of counterfactuality, i.e., because the paradoxical effects appear only when one considers results of experiments which do not actually take place. We suggest a new set of measurements in connection with Hardy's scheme, and show that when they are actually performed, they yield strange and surprising outcomes. More generally, we claim that counterfactual paradoxes point to a deeper structure inherent to quantum mechanics characterized by weak values (Aharonov Y, Botero A, Popescu S, Reznik B, Tollaksen J, Physics Letters A, 301 (3-4): 130-138, 2002).

  7. Ionic fluids containing both strongly and weakly interacting ions of the same charge have unique ionic and chemical environments as a function of ion concentration.

    PubMed

    Wang, Hui; Kelley, Steven P; Brantley, Jimmy W; Chatel, Gregory; Shamshina, Julia; Pereira, Jorge F B; Debbeti, Varun; Myerson, Allan S; Rogers, Robin D

    2015-04-07

    Liquid multi-ion systems made by combining two or more salts can exhibit charge ordering and interactions not found in the parent salts, leading to new sets of properties. This is investigated herein by examining a liquid comprised of a single cation, 1-ethyl-3-methylimidazolium ([C2mim](+)), and two anions with different properties, acetate ([OAc](-)) and bis(trifluoromethylsulfonyl)imide ([NTf2](-)). NMR and IR spectroscopy indicate that the electrostatic interactions are quite different from those in either [C2mim][OAc] or [C2mim][NTf2]. This is attributed to the ability of [OAc](-) to form complexes with the [C2mim](+) ions at greater than 1:1 stoichiometries by drawing [C2mim](+) ions away from the less basic [NTf2](-) ions. Solubility studies with molecular solvents (ethyl acetate, water) and pharmaceuticals (ibuprofen, diphenhydramine) show nonlinear trends as a function of ion content, which suggests that solubility can be tuned through changes in the ionic compositions.

  8. H7N9 influenza viruses interact preferentially with α2,3-linked sialic acids and bind weakly to α2,6-linked sialic acids.

    PubMed

    Ramos, Irene; Krammer, Florian; Hai, Rong; Aguilera, Domingo; Bernal-Rubio, Dabeiba; Steel, John; García-Sastre, Adolfo; Fernandez-Sesma, Ana

    2013-11-01

    The recent human outbreak of H7N9 avian influenza A virus has caused worldwide concerns. Receptor binding specificity is critical for viral pathogenicity, and still not thoroughly studied for this emerging virus. Here, we evaluated the receptor specificity of the haemagglutinin (HA) of two human H7N9 isolates (A/Shanghai/1/13 and A/Anhui/1/13) through a solid-phase binding assay and a flow cytometry-based assay. In addition, we compared it with those from several HAs from human and avian influenza viruses. We observed that the HAs from the novel H7 isolates strongly interacted with α2,3-linked sialic acids. Importantly, they also showed low levels of binding to α2,6-linked sialic acids, but significantly higher than other avian H7s.

  9. The Drosophila Su(var)3–7 Gene Is Required for Oogenesis and Female Fertility, Genetically Interacts with piwi and aubergine, but Impacts Only Weakly Transposon Silencing

    PubMed Central

    Begeot, Flora; Koryakov, Dmitry E.; Todeschini, Anne-Laure; Ronsseray, Stéphane; Vieira, Cristina; Spierer, Pierre; Delattre, Marion

    2014-01-01

    Heterochromatin is made of repetitive sequences, mainly transposable elements (TEs), the regulation of which is critical for genome stability. We have analyzed the role of the heterochromatin-associated Su(var)3–7 protein in Drosophila ovaries. We present evidences that Su(var)3–7 is required for correct oogenesis and female fertility. It accumulates in heterochromatic domains of ovarian germline and somatic cells nuclei, where it co-localizes with HP1. Homozygous mutant females display ovaries with frequent degenerating egg-chambers. Absence of Su(var)3–7 in embryos leads to defects in meiosis and first mitotic divisions due to chromatin fragmentation or chromosome loss, showing that Su(var)3–7 is required for genome integrity. Females homozygous for Su(var)3–7 mutations strongly impair repression of P-transposable element induced gonadal dysgenesis but have minor effects on other TEs. Su(var)3–7 mutations reduce piRNA cluster transcription and slightly impact ovarian piRNA production. However, this modest piRNA reduction does not correlate with transposon de-silencing, suggesting that the moderate effect of Su(var)3–7 on some TE repression is not linked to piRNA production. Strikingly, Su(var)3–7 genetically interacts with the piwi and aubergine genes, key components of the piRNA pathway, by strongly impacting female fertility without impairing transposon silencing. These results lead us to propose that the interaction between Su(var)3–7 and piwi or aubergine controls important developmental processes independently of transposon silencing. PMID:24820312

  10. The Drosophila Su(var)3-7 gene is required for oogenesis and female fertility, genetically interacts with piwi and aubergine, but impacts only weakly transposon silencing.

    PubMed

    Basquin, Denis; Spierer, Anne; Begeot, Flora; Koryakov, Dmitry E; Todeschini, Anne-Laure; Ronsseray, Stéphane; Vieira, Cristina; Spierer, Pierre; Delattre, Marion

    2014-01-01

    Heterochromatin is made of repetitive sequences, mainly transposable elements (TEs), the regulation of which is critical for genome stability. We have analyzed the role of the heterochromatin-associated Su(var)3-7 protein in Drosophila ovaries. We present evidences that Su(var)3-7 is required for correct oogenesis and female fertility. It accumulates in heterochromatic domains of ovarian germline and somatic cells nuclei, where it co-localizes with HP1. Homozygous mutant females display ovaries with frequent degenerating egg-chambers. Absence of Su(var)3-7 in embryos leads to defects in meiosis and first mitotic divisions due to chromatin fragmentation or chromosome loss, showing that Su(var)3-7 is required for genome integrity. Females homozygous for Su(var)3-7 mutations strongly impair repression of P-transposable element induced gonadal dysgenesis but have minor effects on other TEs. Su(var)3-7 mutations reduce piRNA cluster transcription and slightly impact ovarian piRNA production. However, this modest piRNA reduction does not correlate with transposon de-silencing, suggesting that the moderate effect of Su(var)3-7 on some TE repression is not linked to piRNA production. Strikingly, Su(var)3-7 genetically interacts with the piwi and aubergine genes, key components of the piRNA pathway, by strongly impacting female fertility without impairing transposon silencing. These results lead us to propose that the interaction between Su(var)3-7 and piwi or aubergine controls important developmental processes independently of transposon silencing.

  11. Charged-current weak interaction processes in hot and dense matter and its impact on the spectra of neutrinos emitted from protoneutron star cooling.

    PubMed

    Martínez-Pinedo, G; Fischer, T; Lohs, A; Huther, L

    2012-12-21

    We perform three-flavor Boltzmann neutrino transport radiation hydrodynamics simulations covering a period of 3 s after the formation of a protoneutron star in a core-collapse supernova explosion. Our results show that a treatment of charged-current neutrino interactions in hot and dense matter as suggested by Reddy et al. [Phys. Rev. D 58, 013009 (1998)] has a strong impact on the luminosities and spectra of the emitted neutrinos. When compared with simulations that neglect mean-field effects on the neutrino opacities, we find that the luminosities of all neutrino flavors are reduced while the spectral differences between electron neutrinos and antineutrinos are increased. Their magnitude depends on the equation of state and in particular on the symmetry energy at subnuclear densities. These modifications reduce the proton-to-nucleon ratio of the outflow, increasing slightly their entropy. They are expected to have a substantial impact on nucleosynthesis in neutrino-driven winds, even though they do not result in conditions that favor an r process. Contrary to previous findings, our results show that the spectra of electron neutrinos remain substantially different from those of other (anti)neutrino flavors during the entire deleptonization phase of the protoneutron star. The obtained luminosity and spectral changes are also expected to have important consequences for neutrino flavor oscillations and neutrino detection on Earth.

  12. Interaction between the oculomotor and postural systems during a dual-task: Compensatory reductions in head sway following visually-induced postural perturbations promote the production of accurate double-step saccades in standing human adults.

    PubMed

    Boulanger, Mathieu; Giraudet, Guillaume; Faubert, Jocelyn

    2017-01-01

    Humans routinely scan their environment for useful information using saccadic eye movements and/or coordinated movements of the eyes and other body segments such the head and the torso. Most previous eye movement studies were conducted with seated subject and showed that single saccades and sequences of saccades (e.g. double-step saccades) made to briefly flashed stimuli were equally accurate and precise. As one can easily appreciate, most gaze shifts performed daily by a given person are not produced from a seated position, but rather from a standing position either as subjects perform an action from an upright stance or as they walk from one place to another. In the experiments presented here, we developed a new dual-task paradigm in order to study the interaction between the gaze control system and the postural system. Healthy adults (n = 12) were required to both maintain balance and produce accurate single-step and double-step eye saccades from a standing position. Visually-induced changes in head sway were evoked using wide-field background stimuli that either moved in the mediolateral direction or in the anteroposterior direction. We found that, as in the seated condition, single- and double-step saccades were very precise and accurate when made from a standing position, but that a tighter control of head sway was necessary in the more complex double-step saccades condition for equivalent results to be obtained. Our perturbation results support the "common goal" hypothesis that state that if necessary, as was the case during the more complex oculomotor task, context-dependent modulations of the postural system can be triggered to reduced instability and therefore support the accomplishment of a suprapostural goal.

  13. Interaction between the oculomotor and postural systems during a dual-task: Compensatory reductions in head sway following visually-induced postural perturbations promote the production of accurate double-step saccades in standing human adults

    PubMed Central

    Giraudet, Guillaume; Faubert, Jocelyn

    2017-01-01

    Humans routinely scan their environment for useful information using saccadic eye movements and/or coordinated movements of the eyes and other body segments such the head and the torso. Most previous eye movement studies were conducted with seated subject and showed that single saccades and sequences of saccades (e.g. double-step saccades) made to briefly flashed stimuli were equally accurate and precise. As one can easily appreciate, most gaze shifts performed daily by a given person are not produced from a seated position, but rather from a standing position either as subjects perform an action from an upright stance or as they walk from one place to another. In the experiments presented here, we developed a new dual-task paradigm in order to study the interaction between the gaze control system and the postural system. Healthy adults (n = 12) were required to both maintain balance and produce accurate single-step and double-step eye saccades from a standing position. Visually-induced changes in head sway were evoked using wide-field background stimuli that either moved in the mediolateral direction or in the anteroposterior direction. We found that, as in the seated condition, single- and double-step saccades were very precise and accurate when made from a standing position, but that a tighter control of head sway was necessary in the more complex double-step saccades condition for equivalent results to be obtained. Our perturbation results support the “common goal” hypothesis that state that if necessary, as was the case during the more complex oculomotor task, context-dependent modulations of the postural system can be triggered to reduced instability and therefore support the accomplishment of a suprapostural goal. PMID:28296958

  14. Elucidating the Molecular Interactions Occurring during Drug Precipitation of Weak Bases from Lipid-Based Formulations: A Case Study with Cinnarizine and a Long Chain Self-Nanoemulsifying Drug Delivery System.

    PubMed

    Sassene, Philip J; Mosgaard, Mette D; Löbmann, Korbinian; Mu, Huiling; Larsen, Flemming H; Rades, Thomas; Müllertz, Anette

    2015-11-02

    The aim of this study was to investigate if molecular interactions between the weak base cinnarizine and lipolysis products were affecting the morphology of precipitated drug formed during in vitro lipolysis. In vitro lipolysis studies of a self-nanoemulsifying drug delivery system with or without cinnarizine were conducted. The digestion phases (aqueous phase and pellet phase) were separated by ultracentrifugation, and the pellet was isolated and lyophilized. The lyophilized pellets were examined by X-ray powder diffraction, (13)C solid-state nuclear magnetic resonance ((13)C NMR), (1)H liquid-state NMR ((1)H NMR) spectroscopy and differential scanning calorimetry (DSC). The (13)C NMR data indicated that the carbonyl groups and aliphatic part of the lipids undergo structural changes when the pellet contains cinnarizine. The (1)H NMR data suggests interactions occurring around the nitrogens on cinnarizine and the carboxylic group of fatty acids. DSC thermograms showed cinnarizine to be homogeneously incorporated into the lipids of the pellet, and no free amorphous cinnarizine was present. The three techniques (13)C NMR, (1)H NMR, and DSC complement each other and suggest interactions to occur between fatty acids and cinnarizine, which in turn favors amorphous precipitation.

  15. Study of Weak Interactions with Beta-Alpha Angular Correlations and the Positive Beta Decay of NITROGEN-18 and OXYGEN-14.

    NASA Astrophysics Data System (ADS)

    Hernandez, Ana Maria

    1982-03-01

    (pi)-exchange NN interaction F(,(pi)). The resulting value, independent of the nuclear model, is F(,(pi)) = (0.4 (+OR -) 1.1) x 10('-6). In the second experiment the Gamow-Teller (beta) decay from the ('14)O O('+) ground state to the 3.948 MeV 1('+) level in ('14)N has been studied by observing (gamma) rays from the de-excitation of the 3.948 and 2.313 MeV levels in ('14)N. We measured a branching ratio of (5.28 (+OR-) 0.23) x 10('-4) relative to the superallowed Fermi decay to the 2.313 MeV level, and deduce ft = 1446 (+OR -) 63 sec. The corresponding Gamow-Teller transition strength is B(GT) = 2.73 (+OR-) 0.12. This value is about 40% lower than predicted by several widely used shell model calculations, and may suggest appreciable quenching by mesonic currents.

  16. Engineering molecular crystals with abnormally weak cohesion.

    PubMed

    Maly, Kenneth E; Gagnon, Eric; Wuest, James D

    2011-05-14

    Adding astutely placed methyl groups to hexaphenylbenzene increases molecular weight but simultaneously weakens key C-H···π interactions, thereby leading to decreased enthalpies of sublimation and showing that materials with abnormally weak cohesion can be made by identifying and then obstructing interactions that help control association.

  17. Basal electric and magnetic fields of celestial bodies come from positive-negative charge separation caused by gravitation of quasi-Casimir pressure in weak interaction

    NASA Astrophysics Data System (ADS)

    Chen, Shao-Guang

    According to f =d(mv)/dt=m(dv/dt)+ v(dm/dt), a same gravitational formula had been de-duced from the variance in physical mass of QFT and from the variance in mass of inductive energy-transfer of GR respectively: f QF T = f GR = -G (mM/r2 )((r/r)+(v/c)) when their interaction-constants are all taken the experimental values (H05-0029-08, E15-0039-08). f QF T is the quasi-Casimir pressure. f GR is equivalent to Einstein's equation, then more easy to solve it. The hypothesis of the equivalent principle is not used in f QF T , but required by f GR . The predictions of f QF T and f GR are identical except that f QF T has quantum effects but f GR has not and f GR has Lense-Thirring effect but f QF T has not. The quantum effects of gravitation had been verified by Nesvizhevsky et al with the ultracold neutrons falling in the earth's gravitational field in 2002. Yet Lense-Thirring effect had not been measured by GP-B. It shows that f QF T is essential but f GR is phenomenological. The macro-f QF T is the statistic average pressure collided by net virtual neutrinos ν 0 flux (after self-offset in opposite directions) and in direct proportion to the mass. But micro-f QF T is in direct proportion to the scattering section. The electric mass (in inverse proportion to de Broglie wavelength λ) far less than nucleonic mass and the electric scattering section (in direct proportion to λ2 ) far large than that of nucleon, then the net ν 0 flux pressure exerted to electron far large than that to nucleon and the electric displacement far large than that of nucleon, it causes the gravitational polarization of positive-negative charge center separation. Because the gravity far less than the electromagnetic binding force, in atoms the gravitational polarization only produces a little separation. But the net ν 0 flux can press a part freedom electrons in plasma of ionosphere into the earth's surface, the static electric force of redundant positive ions prevents electrons from further

  18. Partial-measurement backaction and nonclassical weak values in a superconducting circuit.

    PubMed

    Groen, J P; Ristè, D; Tornberg, L; Cramer, J; de Groot, P C; Picot, T; Johansson, G; DiCarlo, L

    2013-08-30

    We realize indirect partial measurement of a transmon qubit in circuit quantum electrodynamics by interaction with an ancilla qubit and projective ancilla measurement with a dedicated readout resonator. Accurate control of the interaction and ancilla measurement basis allows tailoring the measurement strength and operator. The tradeoff between measurement strength and qubit backaction is characterized through the distortion of a qubit Rabi oscillation imposed by ancilla measurement in different bases. Combining partial and projective qubit measurements, we provide the solid-state demonstration of the correspondence between a nonclassical weak value and the violation of a Leggett-Garg inequality.

  19. Reversing entanglement change by a weak measurement

    SciTech Connect

    Sun Qingqing; Zubairy, M. Suhail; Al-Amri, M.; Davidovich, Luiz

    2010-11-15

    Entanglement of a system changes due to interactions with the environment. A typical type of interaction is amplitude damping. If we add a detector to monitor the environment and only select the no-damping outcome, this amplitude damping is modified into a weak measurement. Here we show that the entanglement change of a two-qubit state due to amplitude damping or weak measurement can be probabilistically reversed. For the amplitude-damping case, the entanglement partially recovers under most conditions. For the weak-measurement case, the recovery of the initial entangled state is exact. The reversal procedure involves another weak measurement, preceded and followed by bit flips applied to both qubits. We propose a linear optics scheme for the experimental demonstration of these procedures.

  20. Accurate description of argon and water adsorption on surfaces of graphene-based carbon allotropes.

    PubMed

    Kysilka, Jiří; Rubeš, Miroslav; Grajciar, Lukáš; Nachtigall, Petr; Bludský, Ota

    2011-10-20

    Accurate interaction energies of nonpolar (argon) and polar (water) adsorbates with graphene-based carbon allotropes were calculated by means of a combined density functional theory (DFT)-ab initio computational scheme. The calculated interaction energy of argon with graphite (-9.7 kJ mol(-1)) is in excellent agreement with the available experimental data. The calculated interaction energy of water with graphene and graphite is -12.8 and -14.6 kJ mol(-1), respectively. The accuracy of combined DFT-ab initio methods is discussed in detail based on a comparison with the highly precise interaction energies of argon and water with coronene obtained at the coupled-cluster CCSD(T) level extrapolated to the complete basis set (CBS) limit. A new strategy for a reliable estimate of the CBS limit is proposed for systems where numerical instabilities occur owing to basis-set near-linear dependence. The most accurate estimate of the argon and water interaction with coronene (-8.1 and -14.0 kJ mol(-1), respectively) is compared with the results of other methods used for the accurate description of weak intermolecular interactions.

  1. Weak lensing and cosmology

    NASA Astrophysics Data System (ADS)

    Lombardi, Marco; Bertin, Giuseppe

    1999-02-01

    Recently, it has been shown that it is possible to reconstruct the projected mass distribution of a cluster from weak lensing provided that both the geometry of the universe and the probability distribution of galaxy redshifts are known; actually, when additional photometric data are taken to be available, the galaxy redshift distribution could be determined jointly with the cluster mass from the weak lensing analysis. In this paper we develop, in the spirit of a ``thought experiment,'' a method to constrain the geometry of the universe from weak lensing, provided that the redshifts of the source galaxies are measured. The quantitative limits and merits of the method are discussed analytically and with a set of simulations, in relation to point estimation, interval estimation, and test of hypotheses for homogeneous Friedmann-Lema\\^\\i tre models. The constraints turn out to be significant when a few thousand source galaxies are used.

  2. Accurate Finite Difference Algorithms

    NASA Technical Reports Server (NTRS)

    Goodrich, John W.

    1996-01-01

    Two families of finite difference algorithms for computational aeroacoustics are presented and compared. All of the algorithms are single step explicit methods, they have the same order of accuracy in both space and time, with examples up to eleventh order, and they have multidimensional extensions. One of the algorithm families has spectral like high resolution. Propagation with high order and high resolution algorithms can produce accurate results after O(10(exp 6)) periods of propagation with eight grid points per wavelength.

  3. Accurate monotone cubic interpolation

    NASA Technical Reports Server (NTRS)

    Huynh, Hung T.

    1991-01-01

    Monotone piecewise cubic interpolants are simple and effective. They are generally third-order accurate, except near strict local extrema where accuracy degenerates to second-order due to the monotonicity constraint. Algorithms for piecewise cubic interpolants, which preserve monotonicity as well as uniform third and fourth-order accuracy are presented. The gain of accuracy is obtained by relaxing the monotonicity constraint in a geometric framework in which the median function plays a crucial role.

  4. On the Path Towards Universal Weak Interaction

    NASA Astrophysics Data System (ADS)

    Gershtein, S. S.

    2013-06-01

    I will always remember my first meeting with YaB . In the autumn of 1951, after my graduation from Moscow State University, I ended up as a teacher of physics and mathematics in a high school in a village called Belousovo in the Kaluga Region, 105 km from Moscow. Sitting in the evenings at dinner with the old peasant woman who kindly took care of me, and in whose izba (loghouse) I lived, I looked at my university notes and, listening to the rain beating on the window, beyond which was pitch darkness, I consciously bade farewell to the scientific activity for which I had prepared at university.

  5. Weaknesses in Underperforming Schools

    ERIC Educational Resources Information Center

    van de Grift, Wim; Houtveen, Thoni

    2007-01-01

    In some Dutch elementary schools, the average performance of students over several years is significantly below the level that could be expected of them. This phenomenon is known as "underperformance." The most important identifiable weaknesses that go along with this phenomenon are that (a) learning material offered at school is…

  6. Matter-wave localization in a weakly perturbed optical lattice

    SciTech Connect

    Cheng, Yongshan; Adhikari, S. K.

    2011-11-15

    By numerical solution and variational approximation of the Gross-Pitaevskii equation, we studied the localization of a noninteracting and weakly interacting Bose-Einstein condensate in a weakly perturbed optical lattice in one and three dimensions. The perturbation achieved through a weak delocalizing expulsive or a linear potential as well as a weak localizing harmonic potential removes the periodicity of the optical lattice and leads to localization. We also studied some dynamics of the localized state confirming its stability.

  7. Weak Finsler structures and the Funk weak metric

    NASA Astrophysics Data System (ADS)

    Papadopoulos, Athanase; Troyanov, Marc

    2009-04-01

    We discuss general notions of metrics and of Finsler structures which we call weak metrics and weak Finsler structures. Any convex domain carries a canonical weak Finsler structure, which we call its tautological weak Finsler structure. We compute distances in the tautological weak Finsler structure of a domain and we show that these are given by the so-called Funk weak metric. We conclude the paper with a discussion of geodesics, of metric balls and of convexity properties of the Funk weak metric.

  8. Weak Gravitational Lensing

    NASA Astrophysics Data System (ADS)

    Pires, Sandrine; Starck, Jean-Luc; Leonard, Adrienne; Réfrégier, Alexandre

    2012-03-01

    This chapter reviews the data mining methods recently developed to solve standard data problems in weak gravitational lensing. We detail the different steps of the weak lensing data analysis along with the different techniques dedicated to these applications. An overview of the different techniques currently used will be given along with future prospects. Until about 30 years ago, astronomers thought that the Universe was composed almost entirely of ordinary matter: protons, neutrons, electrons, and atoms. The field of weak lensing has been motivated by the observations made in the last decades showing that visible matter represents only about 4-5% of the Universe (see Figure 14.1). Currently, the majority of the Universe is thought to be dark, that is, does not emit electromagnetic radiation. The Universe is thought to be mostly composed of an invisible, pressure less matter - potentially relic from higher energy theories - called "dark matter" (20-21%) and by an even more mysterious term, described in Einstein equations as a vacuum energy density, called "dark energy" (70%). This "dark" Universe is not well described or even understood; its presence is inferred indirectly from its gravitational effects, both on the motions of astronomical objects and on light propagation. So this point could be the next breakthrough in cosmology. Today's cosmology is based on a cosmological model that contains various parameters that need to be determined precisely, such as the matter density parameter Omega_m or the dark energy density parameter Omega_lambda. Weak gravitational lensing is believed to be the most promising tool to understand the nature of dark matter and to constrain the cosmological parameters used to describe the Universe because it provides a method to directly map the distribution of dark matter (see [1,6,60,63,70]). From this dark matter distribution, the nature of dark matter can be better understood and better constraints can be placed on dark energy

  9. Search for long-lived, weakly interacting particles that decay to displaced hadronic jets in proton-proton collisions at s=8  TeV with the ATLAS detector

    DOE PAGES

    Aad, G.; Abbott, B.; Abdallah, J.; ...

    2015-07-17

    A search for the decay of neutral, weakly interacting, long-lived particles using data collected by the ATLAS detector at the LHC is presented. This analysis uses the full data set recorded in 2012: 20.3 fb-1 of proton-proton collision data at √s = 8 TeV. The search employs techniques for reconstructing decay vertices of long-lived particles decaying to jets in the inner tracking detector and muon spectrometer. Signal events require at least two reconstructed vertices. No significant excess of events over the expected background is found, and limits as a function of proper lifetime are reported for the decay of themore » Higgs boson and other scalar bosons to long-lived particles and for Hidden Valley Z' and Stealth SUSY benchmark models. The first search results for displaced decays in Z' and Stealth SUSY models are presented. The upper bounds of the excluded proper lifetimes are the most stringent to date.« less

  10. Weakly broken galileon symmetry

    SciTech Connect

    Pirtskhalava, David; Santoni, Luca; Trincherini, Enrico; Vernizzi, Filippo

    2015-09-01

    Effective theories of a scalar ϕ invariant under the internal galileon symmetryϕ→ϕ+b{sub μ}x{sup μ} have been extensively studied due to their special theoretical and phenomenological properties. In this paper, we introduce the notion of weakly broken galileon invariance, which characterizes the unique class of couplings of such theories to gravity that maximally retain their defining symmetry. The curved-space remnant of the galileon’s quantum properties allows to construct (quasi) de Sitter backgrounds largely insensitive to loop corrections. We exploit this fact to build novel cosmological models with interesting phenomenology, relevant for both inflation and late-time acceleration of the universe.

  11. `Weak A' phenotypes

    PubMed Central

    Cartron, J. P.; Gerbal, A.; Hughes-Jones, N. C.; Salmon, C.

    1974-01-01

    Thirty-five weak A samples including fourteen A3, eight Ax, seven Aend, three Am and three Ae1 were studied in order to determine their A antigen site density, using an IgG anti-A labelled with 125I. The values obtained ranged between 30,000 A antigen sites for A3 individuals, and 700 sites for the Ae1 red cells. The hierarchy of values observed made it possible to establish a quantitative relationship between the red cell agglutinability of these phenotypes measured under standard conditions, and their antigen site density. PMID:4435836

  12. BIOACCESSIBILITY TESTS ACCURATELY ESTIMATE ...

    EPA Pesticide Factsheets

    Hazards of soil-borne Pb to wild birds may be more accurately quantified if the bioavailability of that Pb is known. To better understand the bioavailability of Pb to birds, we measured blood Pb concentrations in Japanese quail (Coturnix japonica) fed diets containing Pb-contaminated soils. Relative bioavailabilities were expressed by comparison with blood Pb concentrations in quail fed a Pb acetate reference diet. Diets containing soil from five Pb-contaminated Superfund sites had relative bioavailabilities from 33%-63%, with a mean of about 50%. Treatment of two of the soils with P significantly reduced the bioavailability of Pb. The bioaccessibility of the Pb in the test soils was then measured in six in vitro tests and regressed on bioavailability. They were: the “Relative Bioavailability Leaching Procedure” (RBALP) at pH 1.5, the same test conducted at pH 2.5, the “Ohio State University In vitro Gastrointestinal” method (OSU IVG), the “Urban Soil Bioaccessible Lead Test”, the modified “Physiologically Based Extraction Test” and the “Waterfowl Physiologically Based Extraction Test.” All regressions had positive slopes. Based on criteria of slope and coefficient of determination, the RBALP pH 2.5 and OSU IVG tests performed very well. Speciation by X-ray absorption spectroscopy demonstrated that, on average, most of the Pb in the sampled soils was sorbed to minerals (30%), bound to organic matter 24%, or present as Pb sulfate 18%. Ad

  13. Evaluation of comprehensive two-dimensional gas chromatography with accurate mass time-of-flight mass spectrometry for the metabolic profiling of plant-fungus interaction in Aquilaria malaccensis.

    PubMed

    Wong, Yong Foo; Chin, Sung-Tong; Perlmutter, Patrick; Marriott, Philip J

    2015-03-27

    To explore the possible obligate interactions between the phytopathogenic fungus and Aquilaria malaccensis which result in generation of a complex array of secondary metabolites, we describe a comprehensive two-dimensional gas chromatography (GC × GC) method, coupled to accurate mass time-of-flight mass spectrometry (TOFMS) for the untargeted and comprehensive metabolic profiling of essential oils from naturally infected A. malaccensis trees. A polar/non-polar column configuration was employed, offering an improved separation pattern of components when compared to other column sets. Four different grades of the oils displayed quite different metabolic patterns, suggesting the evolution of a signalling relationship between the host tree (emergence of various phytoalexins) and fungi (activation of biotransformation). In total, ca. 550 peaks/metabolites were detected, of which tentative identification of 155 of these compounds was reported, representing between 20.1% and 53.0% of the total ion count. These are distributed over the chemical families of monoterpenic and sesquiterpenic hydrocarbons, oxygenated monoterpenes and sesquiterpenes (comprised of ketone, aldehyde, oxide, alcohol, lactone, keto-alcohol and diol), norterpenoids, diterpenoids, short chain glycols, carboxylic acids and others. The large number of metabolites detected, combined with the ease with which they are located in the 2D separation space, emphasises the importance of a comprehensive analytical approach for the phytochemical analysis of plant metabolomes. Furthermore, the potential of this methodology in grading agarwood oils by comparing the obtained metabolic profiles (pattern recognition for unique metabolite chemical families) is discussed. The phytocomplexity of the agarwood oils signified the production of a multitude of plant-fungus mediated secondary metabolites as chemical signals for natural ecological communication. To the best of our knowledge, this is the most complete

  14. Selection and Validation of Reference Genes for Accurate RT-qPCR Data Normalization in Coffea spp. under a Climate Changes Context of Interacting Elevated [CO2] and Temperature

    PubMed Central

    Martins, Madlles Q.; Fortunato, Ana S.; Rodrigues, Weverton P.; Partelli, Fábio L.; Campostrini, Eliemar; Lidon, Fernando C.; DaMatta, Fábio M.; Ramalho, José C.; Ribeiro-Barros, Ana I.

    2017-01-01

    World coffee production has faced increasing challenges associated with ongoing climatic changes. Several studies, which have been almost exclusively based on temperature increase, have predicted extensive reductions (higher than half by 2,050) of actual coffee cropped areas. However, recent studies showed that elevated [CO2] can strongly mitigate the negative impacts of heat stress at the physiological and biochemical levels in coffee leaves. In addition, it has also been shown that coffee genotypes can successfully cope with temperatures above what has been traditionally accepted. Altogether, this information suggests that the real impact of climate changes on coffee growth and production could be significantly lower than previously estimated. Gene expression studies are an important tool to unravel crop acclimation ability, demanding the use of adequate reference genes. We have examined the transcript stability of 10 candidate reference genes to normalize RT-qPCR expression studies using a set of 24 cDNAs from leaves of three coffee genotypes (CL153, Icatu, and IPR108), grown under 380 or 700 μL CO2 L−1, and submitted to increasing temperatures from 25/20°C (day/night) to 42/34°C. Samples were analyzed according to genotype, [CO2], temperature, multiple stress interaction ([CO2], temperature) and total stress interaction (genotype, [CO2], and temperature). The transcript stability of each gene was assessed through a multiple analytical approach combining the Coeficient of Variation method and three algorithms (geNorm, BestKeeper, NormFinder). The transcript stability varied according to the type of stress for most genes, but the consensus ranking obtained with RefFinder, classified MDH as the gene with the highest mRNA stability to a global use, followed by ACT and S15, whereas α-TUB and CYCL showed the least stable mRNA contents. Using the coffee expression profiles of the gene encoding the large-subunit of ribulose-1,5-bisphosphate carboxylase

  15. Accurate spectral color measurements

    NASA Astrophysics Data System (ADS)

    Hiltunen, Jouni; Jaeaeskelaeinen, Timo; Parkkinen, Jussi P. S.

    1999-08-01

    Surface color measurement is of importance in a very wide range of industrial applications including paint, paper, printing, photography, textiles, plastics and so on. For a demanding color measurements spectral approach is often needed. One can measure a color spectrum with a spectrophotometer using calibrated standard samples as a reference. Because it is impossible to define absolute color values of a sample, we always work with approximations. The human eye can perceive color difference as small as 0.5 CIELAB units and thus distinguish millions of colors. This 0.5 unit difference should be a goal for the precise color measurements. This limit is not a problem if we only want to measure the color difference of two samples, but if we want to know in a same time exact color coordinate values accuracy problems arise. The values of two instruments can be astonishingly different. The accuracy of the instrument used in color measurement may depend on various errors such as photometric non-linearity, wavelength error, integrating sphere dark level error, integrating sphere error in both specular included and specular excluded modes. Thus the correction formulas should be used to get more accurate results. Another question is how many channels i.e. wavelengths we are using to measure a spectrum. It is obvious that the sampling interval should be short to get more precise results. Furthermore, the result we get is always compromise of measuring time, conditions and cost. Sometimes we have to use portable syste or the shape and the size of samples makes it impossible to use sensitive equipment. In this study a small set of calibrated color tiles measured with the Perkin Elmer Lamda 18 and the Minolta CM-2002 spectrophotometers are compared. In the paper we explain the typical error sources of spectral color measurements, and show which are the accuracy demands a good colorimeter should have.

  16. Optical diagnostics of vascular reactions triggered by weak allergens using laser speckle-contrast imaging technique

    NASA Astrophysics Data System (ADS)

    Kuznetsov, Yu L.; Kalchenko, V. V.; Astaf'eva, N. G.; Meglinski, I. V.

    2014-08-01

    The capability of using the laser speckle contrast imaging technique with a long exposure time for visualisation of primary acute skin vascular reactions caused by a topical application of a weak contact allergen is considered. The method is shown to provide efficient and accurate detection of irritant-induced primary acute vascular reactions of skin. The presented technique possesses a high potential in everyday diagnostic practice, preclinical studies, as well as in the prognosis of skin reactions to the interaction with potentially allergenic materials.

  17. Optical diagnostics of vascular reactions triggered by weak allergens using laser speckle-contrast imaging technique

    SciTech Connect

    Kuznetsov, Yu L; Kalchenko, V V; Astaf'eva, N G; Meglinski, I V

    2014-08-31

    The capability of using the laser speckle contrast imaging technique with a long exposure time for visualisation of primary acute skin vascular reactions caused by a topical application of a weak contact allergen is considered. The method is shown to provide efficient and accurate detection of irritant-induced primary acute vascular reactions of skin. The presented technique possesses a high potential in everyday diagnostic practice, preclinical studies, as well as in the prognosis of skin reactions to the interaction with potentially allergenic materials. (laser biophotonics)

  18. Experimental Observation of the Nature of Weak Chemical Bonds in Labile Compounds.

    PubMed

    Hashizume, Daisuke

    2017-02-15

    Accurate single-crystal X-ray diffraction data afford a total electron density distribution for crystalline materials by employing an aspherical atomic model with comparable accuracy to that of theoretical calculations. Chemical bonds and intermolecular interactions in the crystalline state are characterized based on the electron density distribution of valence electrons, as well as structural parameters. Herein, the bonding nature of weak chemical bonds in labile compounds, such as hypervalent bonds and delocalized π-bonds, is explored on the basis of electronic structures derived from experimental electron density distribution analyses. In addition, the visualization of a radicalic orbital distribution on an sp(2) -hydridized carbon atom is demonstrated.

  19. Condensate fluctuations of interacting Bose gases within a microcanonical ensemble.

    PubMed

    Wang, Jianhui; He, Jizhou; Ma, Yongli

    2011-05-01

    Based on counting statistics and Bogoliubov theory, we present a recurrence relation for the microcanonical partition function for a weakly interacting Bose gas with a finite number of particles in a cubic box. According to this microcanonical partition function, we calculate numerically the distribution function, condensate fraction, and condensate fluctuations for a finite and isolated Bose-Einstein condensate. For ideal and weakly interacting Bose gases, we compare the condensate fluctuations with those in the canonical ensemble. The present approach yields an accurate account of the condensate fluctuations for temperatures close to the critical region. We emphasize that the interactions between excited atoms turn out to be important for moderate temperatures.

  20. Condensate fluctuations of interacting Bose gases within a microcanonical ensemble

    SciTech Connect

    Wang Jianhui; He Jizhou; Ma Yongli

    2011-05-15

    Based on counting statistics and Bogoliubov theory, we present a recurrence relation for the microcanonical partition function for a weakly interacting Bose gas with a finite number of particles in a cubic box. According to this microcanonical partition function, we calculate numerically the distribution function, condensate fraction, and condensate fluctuations for a finite and isolated Bose-Einstein condensate. For ideal and weakly interacting Bose gases, we compare the condensate fluctuations with those in the canonical ensemble. The present approach yields an accurate account of the condensate fluctuations for temperatures close to the critical region. We emphasize that the interactions between excited atoms turn out to be important for moderate temperatures.

  1. Weak interactions modulating the dimensionality in supramolecular architectures in three new nickel(II)-hydrazone complexes, magnetostructural correlation, and catalytic potential for epoxidation of alkenes under phase transfer conditions.

    PubMed

    Sadhukhan, Dipali; Ray, Aurkie; Pilet, Guillaume; Rizzoli, Corrado; Rosair, Georgina M; Gómez-García, Carlos J; Signorella, Sandra; Bellú, Sebastián; Mitra, Samiran

    2011-09-05

    Three different ONO donor acetyl hydrazone Schiff bases have been synthesized from the condensation of acetic hydrazide with three different carbonyl compounds: salicylaldehyde (HL(1)), 2-hydroxyacetophenone (HL(2)), and 2, 3-dihydroxybenzaldehyde (HL(3)). These tridentate ligands are reacted with Ni(OOCCF(3))(2)·xH(2)O to yield three new Ni(II) complexes having distorted octahedral geometry at each Ni center: [Ni(L(1))(OOCCF(3))(CH(3)OH)](2) (1), [Ni(L(2))(OOCCF(3))(H(2)O)](2) (2), and [Ni(L(3))(L(3)H)](OOCCF(3))(H(2)O)(1.65)(CH(3)OH)(0.35) (3). The ligands and the complexes have been characterized by elemental analysis and IR and UV-vis spectroscopy, and the structures of the complexes have been established by single crystal X-ray diffraction (XRD) study. 1 and 2 are centrosymmetric dinuclear complexes and are structural isomers whereas 3 is a bis chelated cationic monomer coordinated by one neutral and one monoanionic ligand. O-H···O hydrogen bonds in 3 lead to the formation of a dimer. Slight steric and electronic modifications in the ligand backbone provoke differences in the supramolecular architectures of the complexes, leading to a variety of one, two, and three-dimensional hydrogen bonded networks in complexes 1-3 respectively. Variable temperature magnetic susceptibility measurements reveal that moderate antiferromagnetic interactions operate between phenoxo bridged Ni(II) dimers in 1 and 2 whereas very weak antiferromagnetic exchange occurs through hydrogen bonding and π-π stacking interactions in 3. All complexes are proved to be efficient catalysts for the epoxidation of alkenes by NaOCl under phase transfer condition. The efficiency of alkene epoxidation is dramatically enhanced by lowering the pH, and the reactions are supposed to involve high valent Ni(III)-OCl or Ni(III)-O· intermediates. 3 is the best epoxidation catalyst among the three complexes with 99% conversion and very high turnover number (TON, 396).

  2. Spin-susceptibility of the Two-Dimensional Electron Gas: effect of weak disorder

    NASA Astrophysics Data System (ADS)

    Gaetano, Senatore; Palo Stefania, De; Michela, Botti; Saverio, Moroni

    2004-03-01

    Recent measurements[1] on a 2DEG in a GaAs HIGHFET yield a spin susceptibility that is as much as 30% lower than the most accurate theoretical prediction[2] for a one-valley, strictly 2D, clean electron gas. We therefore consider the effect of a model random disorder, in the weak regime, employing the response function formalism. We find that the weak disorder yields an enhancement (depression) of the magnetic response of interacting (noninteracting) electrons in 2D. The implications of such a result are briefly discussed. [1] J.Zhu, H. L. Stormer, L. N. Pfeiffer,K. W. Baldwin, and K. W. West, Phys. Rev. Lett. 90, 056805 (2003) [2]C. Attaccalite, S. Moroni, P. Gori-Giorgi, and G. B. Bachelet, Phys. Rev. Lett. 88, 256601 (2002

  3. Accurate ab Initio Spin Densities.

    PubMed

    Boguslawski, Katharina; Marti, Konrad H; Legeza, Ors; Reiher, Markus

    2012-06-12

    We present an approach for the calculation of spin density distributions for molecules that require very large active spaces for a qualitatively correct description of their electronic structure. Our approach is based on the density-matrix renormalization group (DMRG) algorithm to calculate the spin density matrix elements as a basic quantity for the spatially resolved spin density distribution. The spin density matrix elements are directly determined from the second-quantized elementary operators optimized by the DMRG algorithm. As an analytic convergence criterion for the spin density distribution, we employ our recently developed sampling-reconstruction scheme [J. Chem. Phys.2011, 134, 224101] to build an accurate complete-active-space configuration-interaction (CASCI) wave function from the optimized matrix product states. The spin density matrix elements can then also be determined as an expectation value employing the reconstructed wave function expansion. Furthermore, the explicit reconstruction of a CASCI-type wave function provides insight into chemically interesting features of the molecule under study such as the distribution of α and β electrons in terms of Slater determinants, CI coefficients, and natural orbitals. The methodology is applied to an iron nitrosyl complex which we have identified as a challenging system for standard approaches [J. Chem. Theory Comput.2011, 7, 2740].

  4. Weak localization with nonlinear bosonic matter waves

    SciTech Connect

    Hartmann, Timo; Michl, Josef; Petitjean, Cyril; Wellens, Thomas; Urbina, Juan-Diego; Richter, Klaus; Schlagheck, Peter

    2012-08-15

    We investigate the coherent propagation of dilute atomic Bose-Einstein condensates through irregularly shaped billiard geometries that are attached to uniform incoming and outgoing waveguides. Using the mean-field description based on the nonlinear Gross-Pitaevskii equation, we develop a diagrammatic theory for the self-consistent stationary scattering state of the interacting condensate, which is combined with the semiclassical representation of the single-particle Green function in terms of chaotic classical trajectories within the billiard. This analytical approach predicts a universal dephasing of weak localization in the presence of a small interaction strength between the atoms, which is found to be in good agreement with the numerically computed reflection and transmission probabilities of the propagating condensate. The numerical simulation of this quasi-stationary scattering process indicates that this interaction-induced dephasing mechanism may give rise to a signature of weak antilocalization, which we attribute to the influence of non-universal short-path contributions. - Highlights: Black-Right-Pointing-Pointer Numerical simulation of scattering of Bose-Einstein condensate through billiards. Black-Right-Pointing-Pointer Novel analytical semiclassical theory for nonlinear coherent scattering. Black-Right-Pointing-Pointer Inversion of weak localization due to mean-field interaction within the condensate. Black-Right-Pointing-Pointer Relevance of non-universal short-path contributions.

  5. Weak crystallization theory of metallic alloys

    NASA Astrophysics Data System (ADS)

    Martin, Ivar; Gopalakrishnan, Sarang; Demler, Eugene A.

    2016-06-01

    Crystallization is one of the most familiar, but hardest to analyze, phase transitions. The principal reason is that crystallization typically occurs via a strongly first-order phase transition, and thus rigorous treatment would require comparing energies of an infinite number of possible crystalline states with the energy of liquid. A great simplification occurs when crystallization transition happens to be weakly first order. In this case, weak crystallization theory, based on unbiased Ginzburg-Landau expansion, can be applied. Even beyond its strict range of validity, it has been a useful qualitative tool for understanding crystallization. In its standard form, however, weak crystallization theory cannot explain the existence of a majority of observed crystalline and quasicrystalline states. Here we extend the weak crystallization theory to the case of metallic alloys. We identify a singular effect of itinerant electrons on the form of weak crystallization free energy. It is geometric in nature, generating strong dependence of free energy on the angles between ordering wave vectors of ionic density. That leads to stabilization of fcc, rhombohedral, and icosahedral quasicrystalline (iQC) phases, which are absent in the generic theory with only local interactions. As an application, we find the condition for stability of iQC that is consistent with the Hume-Rothery rules known empirically for the majority of stable iQC; namely, the length of the primary Bragg-peak wave vector is approximately equal to the diameter of the Fermi sphere.

  6. Pixelation Effects in Weak Lensing

    NASA Technical Reports Server (NTRS)

    High, F. William; Rhodes, Jason; Massey, Richard; Ellis, Richard

    2007-01-01

    Weak gravitational lensing can be used to investigate both dark matter and dark energy but requires accurate measurements of the shapes of faint, distant galaxies. Such measurements are hindered by the finite resolution and pixel scale of digital cameras. We investigate the optimum choice of pixel scale for a space-based mission, using the engineering model and survey strategy of the proposed Supernova Acceleration Probe as a baseline. We do this by simulating realistic astronomical images containing a known input shear signal and then attempting to recover the signal using the Rhodes, Refregier, and Groth algorithm. We find that the quality of shear measurement is always improved by smaller pixels. However, in practice, telescopes are usually limited to a finite number of pixels and operational life span, so the total area of a survey increases with pixel size. We therefore fix the survey lifetime and the number of pixels in the focal plane while varying the pixel scale, thereby effectively varying the survey size. In a pure trade-off for image resolution versus survey area, we find that measurements of the matter power spectrum would have minimum statistical error with a pixel scale of 0.09' for a 0.14' FWHM point-spread function (PSF). The pixel scale could be increased to 0.16' if images dithered by exactly half-pixel offsets were always available. Some of our results do depend on our adopted shape measurement method and should be regarded as an upper limit: future pipelines may require smaller pixels to overcome systematic floors not yet accessible, and, in certain circumstances, measuring the shape of the PSF might be more difficult than those of galaxies. However, the relative trends in our analysis are robust, especially those of the surface density of resolved galaxies. Our approach thus provides a snapshot of potential in available technology, and a practical counterpart to analytic studies of pixelation, which necessarily assume an idealized shape

  7. WEAK LENSING MASS RECONSTRUCTION: FLEXION VERSUS SHEAR

    SciTech Connect

    Pires, S.

    2010-11-10

    Weak gravitational lensing has proven to be a powerful tool to map directly the distribution of dark matter in the universe. The technique, currently used, relies on the accurate measurement of the gravitational shear that corresponds to the first-order distortion of the background galaxy images. More recently, a new technique has been introduced that relies on the accurate measurement of the gravitational flexion that corresponds to the second-order distortion of the background galaxy images. This technique should probe structures on smaller scales than that of shear analysis. The goal of this paper is to compare the ability of shear and flexion to reconstruct the dark matter distribution by taking into account the dispersion in shear and flexion measurements. Our results show that the flexion is less sensitive than shear for constructing the convergence maps on scales that are physically feasible for mapping, meaning that flexion alone should not be used to do convergence map reconstruction, even on small scales.

  8. Second-order accurate nonoscillatory schemes for scalar conservation laws

    NASA Technical Reports Server (NTRS)

    Huynh, Hung T.

    1989-01-01

    Explicit finite difference schemes for the computation of weak solutions of nonlinear scalar conservation laws is presented and analyzed. These schemes are uniformly second-order accurate and nonoscillatory in the sense that the number of extrema of the discrete solution is not increasing in time.

  9. Excited-to-excited-state scattering using weak measurements

    NASA Astrophysics Data System (ADS)

    U, Satya Sainadh; Narayanan, Andal

    2015-11-01

    Weak measurements are a subset of measurement processes in quantum mechanics wherein the system, which is being measured, interacts very weakly with the measuring apparatus. Measurement values of observables undergoing a weak interaction and their amplification are concepts that have sharpened our understanding of interaction processes in quantum mechanics. Recent experiments show that naturally occurring processes such as resonance fluorescence from excited states of an atom can exhibit weak value amplification effect. In this paper we theoretically analyze the process of elastic resonance fluorescence from a V -type three-level atomic system, using the well-known Weiskopff-Wigner (WW) theory of spontaneous emission. Within this theory we show that a weak interaction regime can be identified and for suitable choices of initial and final excited states the mean scattering time between these states show an amplification effect during interaction with the vacuum bath modes of the electromagnetic field. We thus show that a system-bath interaction can show weak value amplification. Using our theory we reproduce the published experimental results carried out in such a system. More importantly, our theory can calculate scattering time scales in elastic resonance scattering between multiple excited states of a single atom or between common excited state configurations of interacting multiatom systems.

  10. Lattice QCD calculations of weak matrix elements

    NASA Astrophysics Data System (ADS)

    Detar, Carleton

    2017-01-01

    Lattice QCD has become the method of choice for calculating the hadronic environment of the electroweak interactions of quarks. So it is now an essential tool in the search for new physics beyond the Standard Model. Advances in computing power and algorithms have resulted in increasingly precise predictions and increasingly stringent tests of the Standard Model. I review results of recent calculations of weak matrix elements and discuss their implications for new physics. Supported by US NSF grant PHY10-034278.

  11. Metal Nanostructure Formation on Graphene: Weak versus Strong Bonding

    SciTech Connect

    Hupalo, Myron; Liu, Xiaojie; Wang, Cai-Zhuang; Lu, Wen-Cai; Yao, Yon-Xin; Ho, Kai-Ming; Tringides, Michael C.

    2011-05-10

    Graphene is an exciting material with numerous potential applications. To understand metal graphene interaction two different metals were studied. Two large Pb islands nucleate at 78K indicating fast diffusion and weak interaction(right). On the contrary, for Dysprosium a high island density is observed confirming slow diffusion and strong interaction(left).

  12. Extrapolating Weak Selection in Evolutionary Games

    PubMed Central

    Wu, Bin; García, Julián; Hauert, Christoph; Traulsen, Arne

    2013-01-01

    In evolutionary games, reproductive success is determined by payoffs. Weak selection means that even large differences in game outcomes translate into small fitness differences. Many results have been derived using weak selection approximations, in which perturbation analysis facilitates the derivation of analytical results. Here, we ask whether results derived under weak selection are also qualitatively valid for intermediate and strong selection. By “qualitatively valid” we mean that the ranking of strategies induced by an evolutionary process does not change when the intensity of selection increases. For two-strategy games, we show that the ranking obtained under weak selection cannot be carried over to higher selection intensity if the number of players exceeds two. For games with three (or more) strategies, previous examples for multiplayer games have shown that the ranking of strategies can change with the intensity of selection. In particular, rank changes imply that the most abundant strategy at one intensity of selection can become the least abundant for another. We show that this applies already to pairwise interactions for a broad class of evolutionary processes. Even when both weak and strong selection limits lead to consistent predictions, rank changes can occur for intermediate intensities of selection. To analyze how common such games are, we show numerically that for randomly drawn two-player games with three or more strategies, rank changes frequently occur and their likelihood increases rapidly with the number of strategies . In particular, rank changes are almost certain for , which jeopardizes the predictive power of results derived for weak selection. PMID:24339769

  13. "Union is strength": how weak hydrogen bonds become stronger.

    PubMed

    Melandri, Sonia

    2011-08-21

    Recently reported rotational spectroscopic studies on small dimers and oligomers bound by weak hydrogen bonds show that the driving forces, the spatial arrangement and the dynamical features displayed are very different from those involved in stronger and conventional hydrogen bonds. The very small binding energies (similar to those of van der Waals interactions) imply that the stabilization of the dimer is often obtained by networks of weak hydrogen bonds. Even in the presence of multiple bonds the partner molecules show a high degree of internal freedom within the complex. This paper analyses several examples of molecular adducts bound by weak hydrogen bonds formed in free jet expansions and recently characterized by rotational spectroscopy. They include weakly bound complexes of weak donors with strong acceptors (C-H···O,N, S-H···O,N), strong donors (O-H, N-H) with weak acceptors such as the halogen atoms and π systems but also the elusive interactions between weak donors and weak acceptors (C-H···π and C-H···halogen). Examples are also given where rotational spectroscopy highlights that weak hydrogen bonds are extremely important in chiral recognition phenomena and as driving forces of the conformational landscape of important biomolecules.

  14. Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry

    PubMed Central

    Flick, Johannes; Ruggenthaler, Michael; Appel, Heiko

    2017-01-01

    In this work, we provide an overview of how well-established concepts in the fields of quantum chemistry and material sciences have to be adapted when the quantum nature of light becomes important in correlated matter–photon problems. We analyze model systems in optical cavities, where the matter–photon interaction is considered from the weak- to the strong-coupling limit and for individual photon modes as well as for the multimode case. We identify fundamental changes in Born–Oppenheimer surfaces, spectroscopic quantities, conical intersections, and efficiency for quantum control. We conclude by applying our recently developed quantum-electrodynamical density-functional theory to spontaneous emission and show how a straightforward approximation accurately describes the correlated electron–photon dynamics. This work paves the way to describe matter–photon interactions from first principles and addresses the emergence of new states of matter in chemistry and material science. PMID:28275094

  15. Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry.

    PubMed

    Flick, Johannes; Ruggenthaler, Michael; Appel, Heiko; Rubio, Angel

    2017-03-21

    In this work, we provide an overview of how well-established concepts in the fields of quantum chemistry and material sciences have to be adapted when the quantum nature of light becomes important in correlated matter-photon problems. We analyze model systems in optical cavities, where the matter-photon interaction is considered from the weak- to the strong-coupling limit and for individual photon modes as well as for the multimode case. We identify fundamental changes in Born-Oppenheimer surfaces, spectroscopic quantities, conical intersections, and efficiency for quantum control. We conclude by applying our recently developed quantum-electrodynamical density-functional theory to spontaneous emission and show how a straightforward approximation accurately describes the correlated electron-photon dynamics. This work paves the way to describe matter-photon interactions from first principles and addresses the emergence of new states of matter in chemistry and material science.

  16. Experimental investigations of weak definite and weak indefinite noun phrases.

    PubMed

    Klein, Natalie M; Gegg-Harrison, Whitney M; Carlson, Greg N; Tanenhaus, Michael K

    2013-08-01

    Definite noun phrases typically refer to entities that are uniquely identifiable in the speaker and addressee's common ground. Some definite noun phrases (e.g., the hospital in Mary had to go the hospital and John did too) seem to violate this uniqueness constraint. We report six experiments that were motivated by the hypothesis that these "weak definite" interpretations arise in "incorporated" constructions. Experiments 1-3 compared nouns that seem to allow for a weak definite interpretation (e.g., hospital, bank, bus, radio) with those that do not (e.g., farm, concert, car, book). Experiments 1 and 2 used an instruction-following task and picture-judgment task, respectively, to demonstrate that a weak definite need not uniquely refer. In Experiment 3 participants imagined scenarios described by sentences such as The Federal Express driver had to go to the hospital/farm. Scenarios following weak definite noun phrases were more likely to include conventional activities associated with the object, whereas following regular nouns, participants were more likely to imagine scenarios that included typical activities associated with the subject; similar effects were observed with weak indefinites. Experiment 4 found that object-related activities were reduced when the same subject and object were used with a verb that does not license weak definite interpretations. In Experiment 5, a science fiction story introduced an artificial lexicon for novel concepts. Novel nouns that shared conceptual properties with English weak definite nouns were more likely to allow weak reference in a judgment task. Experiment 6 demonstrated that familiarity for definite articles and anti-familiarity for indefinite articles applies to the activity associated with the noun, consistent with predictions made by the incorporation analysis.

  17. Experimental investigations of weak definite and weak indefinite noun phrases

    PubMed Central

    Klein, Natalie M.; Gegg-Harrison, Whitney M.; Carlson, Greg N.; Tanenhaus, Michael K.

    2013-01-01

    Definite noun phrases typically refer to entities that are uniquely identifiable in the speaker and addressee’s common ground. Some definite noun phrases (e.g. the hospital in Mary had to go the hospital and John did too) seem to violate this uniqueness constraint. We report six experiments that were motivated by the hypothesis that these “weak definite” interpretations arise in “incorporated” constructions. Experiments 1-3 compared nouns that seem to allow for a weak definite interpretation (e.g. hospital, bank, bus, radio) with those that do not (e.g. farm, concert, car, book). Experiments 1 and 2 used an instruction-following task and picture-judgment task, respectively, to demonstrate that a weak definite need not uniquely refer. In Experiment 3 participants imagined scenarios described by sentences such as The Federal Express driver had to go to the hospital/farm. The imagined scenarios following weak definite noun phrases were more likely to include conventional activities associated with the object, whereas following regular nouns, participants were more likely to imagine scenarios that included typical activities associated with the subject; similar effects were observed with weak indefinites. Experiment 4 found that object-related activities were reduced when the same subject and object were used with a verb that does not license weak definite interpretations. In Experiment 5, a science fiction story introduced an artificial lexicon for novel concepts. Novel nouns that shared conceptual properties with English weak definite nouns were more likely to allow weak reference in a judgment task. Experiment 6 demonstrated that familiarity for definite articles and anti- familiarity for indefinite articles applies to the activity associated with the noun, consistent with predictions made by the incorporation analysis. PMID:23685208

  18. Accurate characterization of weak neutron fields by using a Bayesian approach.

    PubMed

    Medkour Ishak-Boushaki, G; Allab, M

    2017-04-01

    A Bayesian analysis of data derived from neutron spectrometric measurements provides the advantage of determining rigorously integral physical quantities characterizing the neutron field and their respective related uncertainties. The first and essential step in a Bayesian approach is the parameterization of the investigated neutron spectrum. The aim of this paper is to investigate the sensitivity of the Bayesian results, mainly the neutron dose H(*)(10) required for radiation protection purposes and its correlated uncertainty, to the selected neutron spectrum parameterization.

  19. Accurate Evaluation of Quantum Integrals

    NASA Technical Reports Server (NTRS)

    Galant, D. C.; Goorvitch, D.; Witteborn, Fred C. (Technical Monitor)

    1995-01-01

    Combining an appropriate finite difference method with Richardson's extrapolation results in a simple, highly accurate numerical method for solving a Schrodinger's equation. Important results are that error estimates are provided, and that one can extrapolate expectation values rather than the wavefunctions to obtain highly accurate expectation values. We discuss the eigenvalues, the error growth in repeated Richardson's extrapolation, and show that the expectation values calculated on a crude mesh can be extrapolated to obtain expectation values of high accuracy.

  20. Weak-shock reflection factors

    SciTech Connect

    Reichenbach, H.; Kuhl, A.L.

    1993-09-07

    The purpose of this paper is to compare reflection factors for weak shocks from various surfaces, and to focus attention on some unsolved questions. Three different cases are considered: square-wave planar shock reflection from wedges; square-wave planar shock reflection from cylinders; and spherical blast wave reflection from a planar surface. We restrict ourselves to weak shocks. Shocks with a Mach number of M{sub O} < 1.56 in air or with an overpressure of {Delta}{sub PI} < 25 psi (1.66 bar) under normal ambient conditions are called weak.

  1. Accurate shear measurement with faint sources

    SciTech Connect

    Zhang, Jun; Foucaud, Sebastien; Luo, Wentao E-mail: walt@shao.ac.cn

    2015-01-01

    For cosmic shear to become an accurate cosmological probe, systematic errors in the shear measurement method must be unambiguously identified and corrected for. Previous work of this series has demonstrated that cosmic shears can be measured accurately in Fourier space in the presence of background noise and finite pixel size, without assumptions on the morphologies of galaxy and PSF. The remaining major source of error is source Poisson noise, due to the finiteness of source photon number. This problem is particularly important for faint galaxies in space-based weak lensing measurements, and for ground-based images of short exposure times. In this work, we propose a simple and rigorous way of removing the shear bias from the source Poisson noise. Our noise treatment can be generalized for images made of multiple exposures through MultiDrizzle. This is demonstrated with the SDSS and COSMOS/ACS data. With a large ensemble of mock galaxy images of unrestricted morphologies, we show that our shear measurement method can achieve sub-percent level accuracy even for images of signal-to-noise ratio less than 5 in general, making it the most promising technique for cosmic shear measurement in the ongoing and upcoming large scale galaxy surveys.

  2. [Acute muscle weakness: differential diagnoses].

    PubMed

    Antoniuk, Sérgio A

    2013-09-06

    Acute muscle weakness, a common disorder in pediatrics, can occur from impairment of any part of the motor unit, including the upper motor neuron, lower motor neuron, peripheral nerve, neuromuscular junction or muscle. It usually manifests itself as an acute or hyperacute motor disorder of progressive or rapidly progressive course. Acute muscle weakness is a neuromuscular emergency, especially if it affects the respiratory or oropharyngeal musculature. The location of the motor weakness and associated neurological signs and symptoms usually indicate the location of the lesion. The onset, speed and clinical evolution, as well as other data from the patient's history, suggest the pathophysiological differential diagnosis. Successful treatment depends on the immediate and correct differential diagnosis. This paper presents the main differential diagnosis of main neuromuscular diseases that cause acute muscle weakness in children.

  3. Quantum counterfactual communication without a weak trace

    NASA Astrophysics Data System (ADS)

    Arvidsson-Shukur, D. R. M.; Barnes, C. H. W.

    2016-12-01

    The classical theories of communication rely on the assumption that there has to be a flow of particles from Bob to Alice in order for him to send a message to her. We develop a quantum protocol that allows Alice to perceive Bob's message "counterfactually"; that is, without Alice receiving any particles that have interacted with Bob. By utilizing a setup built on results from interaction-free measurements, we outline a communication protocol whereby the information travels in the opposite direction of the emitted particles. In comparison to previous attempts on such protocols, this one is such that a weak measurement at the message source would not leave a weak trace that could be detected by Alice's receiver. While some interaction-free schemes require a large number of carefully aligned beam splitters, our protocol is realizable with two or more beam splitters. We demonstrate this protocol by numerically solving the time-dependent Schrödinger equation for a Hamiltonian that implements this quantum counterfactual phenomenon.

  4. Weak Energy: Form and Function

    NASA Astrophysics Data System (ADS)

    Parks, Allen D.

    The equation of motion for a time-dependent weak value of a quantum mechanical observable contains a complex valued energy factor—the weak energy of evolution. This quantity is defined by the dynamics of the pre-selected and post-selected states which specify the observable's weak value. It is shown that this energy: (i) is manifested as dynamical and geometric phases that govern the evolution of the weak value during the measurement process; (ii) satisfies the Euler-Lagrange equations when expressed in terms of Pancharatnam (P) phase and Fubini-Study (FS) metric distance; (iii) provides for a PFS stationary action principle for quantum state evolution; (iv) time translates correlation amplitudes; (v) generalizes the temporal persistence of state normalization; and (vi) obeys a time-energy uncertainty relation. A similar complex valued quantity—the pointed weak energy of an evolving quantum state—is also defined and several of its properties in PFS coordinates are discussed. It is shown that the imaginary part of the pointed weak energy governs the state's survival probability and its real part is—to within a sign—the Mukunda-Simon geometric phase for arbitrary evolutions or the Aharonov-Anandan (AA) geometric phase for cyclic evolutions. Pointed weak energy gauge transformations and the PFS 1-form are defined and discussed and the relationship between the PFS 1-form and the AA connection 1-form is established. [Editors note: for a video of the talk given by Prof. Parks at the Aharonov-80 conference in 2012 at Chapman University, see http://quantum.chapman.edu/talk-25.

  5. Accurate ab initio potential energy curves for the classic Li-F ionic-covalent interaction by extrapolation to the complete basis set limit and modeling of the radial nonadiabatic coupling.

    PubMed

    Varandas, A J C

    2009-09-28

    Multireference configuration interaction calculations using large correlation consistent basis sets and full configuration interaction calculations with the smallest of such basis are utilized to describe the ionic-neutral curve crossing for the title system. The results of the former calculations have then been extrapolated to the complete basis set limit using the uniform singlet- and triplet-pair extrapolation scheme. A recent suggestion for locating the nonadiabatic matrix terms at the point where the dynamical correlation split vanishes has also been tested. Additionally, a consistent formalism is suggested to model the radial dependence of the nonadiabatic matrix terms that warrants an overlap dependence away from the crossing. When applied to LiF, the overall approach yields results in excellent agreement with the commonly accepted values for the geometric and energetic attributes at both the equilibrium and diabatic crossing regions.

  6. Weak Measurements of Light Chirality with a Plasmonic Slit

    NASA Astrophysics Data System (ADS)

    Gorodetski, Y.; Bliokh, K. Y.; Stein, B.; Genet, C.; Shitrit, N.; Kleiner, V.; Hasman, E.; Ebbesen, T. W.

    2012-07-01

    We examine, both experimentally and theoretically, an interaction of tightly focused polarized light with a slit on a metal surface supporting plasmon-polariton modes. Remarkably, this simple system can be highly sensitive to the polarization of the incident light and offers a perfect quantum weak measurement tool with a built-in postselection in the plasmon-polariton mode. We observe the plasmonic spin Hall effect in both coordinate and momentum spaces which is interpreted as weak measurements of the helicity of light with real and imaginary weak values determined by the input polarization. Our experiment combines the advantages of (i) quantum weak measurements, (ii) near-field plasmonic systems, and (iii) high-numerical aperture microscopy in employing the spin-orbit interaction of light and probing light chirality.

  7. Hydrogen atoms can be located accurately and precisely by x-ray crystallography.

    PubMed

    Woińska, Magdalena; Grabowsky, Simon; Dominiak, Paulina M; Woźniak, Krzysztof; Jayatilaka, Dylan

    2016-05-01

    Precise and accurate structural information on hydrogen atoms is crucial to the study of energies of interactions important for crystal engineering, materials science, medicine, and pharmacy, and to the estimation of physical and chemical properties in solids. However, hydrogen atoms only scatter x-radiation weakly, so x-rays have not been used routinely to locate them accurately. Textbooks and teaching classes still emphasize that hydrogen atoms cannot be located with x-rays close to heavy elements; instead, neutron diffraction is needed. We show that, contrary to widespread expectation, hydrogen atoms can be located very accurately using x-ray diffraction, yielding bond lengths involving hydrogen atoms (A-H) that are in agreement with results from neutron diffraction mostly within a single standard deviation. The precision of the determination is also comparable between x-ray and neutron diffraction results. This has been achieved at resolutions as low as 0.8 Å using Hirshfeld atom refinement (HAR). We have applied HAR to 81 crystal structures of organic molecules and compared the A-H bond lengths with those from neutron measurements for A-H bonds sorted into bonds of the same class. We further show in a selection of inorganic compounds that hydrogen atoms can be located in bridging positions and close to heavy transition metals accurately and precisely. We anticipate that, in the future, conventional x-radiation sources at in-house diffractometers can be used routinely for locating hydrogen atoms in small molecules accurately instead of large-scale facilities such as spallation sources or nuclear reactors.

  8. Hydrogen atoms can be located accurately and precisely by x-ray crystallography

    PubMed Central

    Woińska, Magdalena; Grabowsky, Simon; Dominiak, Paulina M.; Woźniak, Krzysztof; Jayatilaka, Dylan

    2016-01-01

    Precise and accurate structural information on hydrogen atoms is crucial to the study of energies of interactions important for crystal engineering, materials science, medicine, and pharmacy, and to the estimation of physical and chemical properties in solids. However, hydrogen atoms only scatter x-radiation weakly, so x-rays have not been used routinely to locate them accurately. Textbooks and teaching classes still emphasize that hydrogen atoms cannot be located with x-rays close to heavy elements; instead, neutron diffraction is needed. We show that, contrary to widespread expectation, hydrogen atoms can be located very accurately using x-ray diffraction, yielding bond lengths involving hydrogen atoms (A–H) that are in agreement with results from neutron diffraction mostly within a single standard deviation. The precision of the determination is also comparable between x-ray and neutron diffraction results. This has been achieved at resolutions as low as 0.8 Å using Hirshfeld atom refinement (HAR). We have applied HAR to 81 crystal structures of organic molecules and compared the A–H bond lengths with those from neutron measurements for A–H bonds sorted into bonds of the same class. We further show in a selection of inorganic compounds that hydrogen atoms can be located in bridging positions and close to heavy transition metals accurately and precisely. We anticipate that, in the future, conventional x-radiation sources at in-house diffractometers can be used routinely for locating hydrogen atoms in small molecules accurately instead of large-scale facilities such as spallation sources or nuclear reactors. PMID:27386545

  9. Toward an Accurate Estimate of the Exfoliation Energy of Black Phosphorus: A Periodic Quantum Chemical Approach.

    PubMed

    Sansone, Giuseppe; Maschio, Lorenzo; Usvyat, Denis; Schütz, Martin; Karttunen, Antti

    2016-01-07

    The black phosphorus (black-P) crystal is formed of covalently bound layers of phosphorene stacked together by weak van der Waals interactions. An experimental measurement of the exfoliation energy of black-P is not available presently, making theoretical studies the most important source of information for the optimization of phosphorene production. Here, we provide an accurate estimate of the exfoliation energy of black-P on the basis of multilevel quantum chemical calculations, which include the periodic local Møller-Plesset perturbation theory of second order, augmented by higher-order corrections, which are evaluated with finite clusters mimicking the crystal. Very similar results are also obtained by density functional theory with the D3-version of Grimme's empirical dispersion correction. Our estimate of the exfoliation energy for black-P of -151 meV/atom is substantially larger than that of graphite, suggesting the need for different strategies to generate isolated layers for these two systems.

  10. Density functionals that recognize covalent, metallic, and weak bonds.

    PubMed

    Sun, Jianwei; Xiao, Bing; Fang, Yuan; Haunschild, Robin; Hao, Pan; Ruzsinszky, Adrienn; Csonka, Gábor I; Scuseria, Gustavo E; Perdew, John P

    2013-09-06

    Computationally efficient semilocal approximations of density functional theory at the level of the local spin density approximation (LSDA) or generalized gradient approximation (GGA) poorly describe weak interactions. We show improved descriptions for weak bonds (without loss of accuracy for strong ones) from a newly developed semilocal meta-GGA (MGGA), by applying it to molecules, surfaces, and solids. We argue that this improvement comes from using the right MGGA dimensionless ingredient to recognize all types of orbital overlap.

  11. Hybrid simulations of weakly collisional plasmas

    NASA Astrophysics Data System (ADS)

    Xia, Qian; Reville, Brian; Tzoufras, Michail

    2016-10-01

    Laser produced plasma experiments can be exploited to investigate phenomena of astrophysical relevance. The high densities and velocities that can be generated in the laboratory provide ideal conditions to investigate weakly collisional or collisionless plasma shock physics. In addition, the high temperatures permit magnetic and kinetic Reynolds numbers that are difficult to achieve in other plasma experiments, opening the possibility to study plasma dynamo. Many of these experiments are based on a classic plasma physics problem, namely the interpenetration of two plasma flows. To investigate this phenomenon, we are constructing a novel multi-dimensional hybrid numerical scheme, that solves the ion distribution kinetically via a Vlasov-Fokker-Planck equation, with electrons providing a charge neutralizing fluid. This allows us to follow the evolution on hydrodynamic timescales, while permitting inclusion ofcollisionlesseffects on small scales. It also could be used to study the increasing collisional effects due to the stiff gradient and weakly anisotropic velocity distribution. We present some preliminary validation tests for the code, demonstrating its ability to accurately model key processes that are relevant to laboratory and astrophysical plasmas.

  12. Warping the Weak Gravity Conjecture

    NASA Astrophysics Data System (ADS)

    Kooner, Karta; Parameswaran, Susha; Zavala, Ivonne

    2016-08-01

    The Weak Gravity Conjecture, if valid, rules out simple models of Natural Inflation by restricting their axion decay constant to be sub-Planckian. We revisit stringy attempts to realise Natural Inflation, with a single open string axionic inflaton from a probe D-brane in a warped throat. We show that warped geometries can allow the requisite super-Planckian axion decay constant to be achieved, within the supergravity approximation and consistently with the Weak Gravity Conjecture. Preliminary estimates of the brane backreaction suggest that the probe approximation may be under control. However, there is a tension between large axion decay constant and high string scale, where the requisite high string scale is difficult to achieve in all attempts to realise large field inflation using perturbative string theory. We comment on the Generalized Weak Gravity Conjecture in the light of our results.

  13. Weak values in continuous weak measurements of qubits

    NASA Astrophysics Data System (ADS)

    Qin, Lupei; Liang, Pengfei; Li, Xin-Qi

    2015-07-01

    For continuous weak measurements of qubits, we obtain exact expressions for weak values (WVs) from the postselection restricted average of measurement outputs, by using both the quantum-trajectory equation (QTE) and the quantum Bayesian approach. The former is applicable to short-time weak measurement, while the latter can relax the measurement strength to finite. We find that even in the "very" weak limit the result can be essentially different from the one originally proposed by Aharonov, Albert, and Vaidman (AAV), in the sense that our result incorporates nonperturbative correction which could be important when the AAV WV is large. Within the Bayesian framework, we obtain also elegant expressions for finite measurement strength and find that the amplifier's noise in quantum measurement has no effect on the WVs. In particular, we obtain very useful results for homodyne measurement in a circuit-QED system, which allows for measuring the real and imaginary parts of the AAV WV by simply tuning the phase of the local oscillator. This advantage can be exploited as an efficient state-tomography technique.

  14. Rotational and rotationless states of weakly bound molecules

    SciTech Connect

    Lemeshko, Mikhail; Friedrich, Bretislav

    2009-05-15

    By making use of the quantization rule of Raab and Friedrich [Phys. Rev. A 78, 022707 (2008)], we derive simple and accurate formulae for the number of rotational states supported by a weakly bound vibrational level of a diatomic molecule and the rotational constants of any such levels up to the threshold, and provide a criterion for determining whether a given weakly bound vibrational level is rotationless. The results depend solely on the long-range part of the molecular potential and are applicable to halo molecules.

  15. Strong mobility in weakly disordered systems

    SciTech Connect

    Ben-naim, Eli; Krapivsky, Pavel

    2009-01-01

    We study transport of interacting particles in weakly disordered media. Our one-dimensional system includes (i) disorder, the hopping rate governing the movement of a particle between two neighboring lattice sites is inhomogeneous, and (ii) hard core interaction, the maximum occupancy at each site is one particle. We find that over a substantial regime, the root-mean-square displacement of a particle s grows superdiffusively with time t, {sigma}{approx}({epsilon}t){sup 2/3}, where {epsilon} is the disorder strength. Without disorder the particle displacement is subdiffusive, {sigma} {approx}t{sup 1/4}, and therefore disorder strongly enhances particle mobility. We explain this effect using scaling arguments, and verify the theoretical predictions through numerical simulations. Also, the simulations show that regardless of disorder strength, disorder leads to stronger mobility over an intermediate time regime.

  16. Role of ground-state correlations in hypernuclear nonmesonic weak decay

    NASA Astrophysics Data System (ADS)

    Bauer, E.; Garbarino, G.

    2010-06-01

    The contribution of ground-state correlations (GSCs) to the nonmesonic weak decay of Λ12C and other medium to heavy hypernuclei is studied within a nuclear-matter formalism implemented in a local-density approximation. We adopt a weak transition potential including the exchange of the complete octets of pseudoscalar and vector mesons, as well as a residual strong interaction modeled on the Bonn potential. Leading GSC contributions, at first order in the residual strong interaction, are introduced on the same footing for all isospin channels of one- and two-nucleon induced decays. Together with fermion antisymmetrization, GSCs turn out to be important for an accurate determination of the decay widths. Besides opening the two-nucleon stimulated decay channels, for Λ12C GSCs are responsible for 14% of the rate Γ1 while increasing the Γn/Γp ratio by 4%. Our final results for Λ12C are ΓNM=0.98, Γn/Γp=0.34, and Γ2/ΓNM=0.26. The saturation property of ΓNM with increasing hypernuclear mass number is clearly observed. The agreement with data of our predictions for ΓNM, Γn/Γp, and Γ2 is rather good.

  17. Anisotropic weak localization of light.

    PubMed

    Sapienza, Riccardo; Mujumdar, Sushil; Cheung, Cecil; Yodh, A G; Wiersma, Diederik

    2004-01-23

    We have observed angular anisotropy in weak localization of light from highly scattering, orientationally ordered, nematic liquid crystals. This demonstration of angular anisotropy in a multiple-scattering interference phenomenon was facilitated by a light scattering instrument with extraordinary angular resolution. The measured anisotropies were consistent with a simple model of coherent backscattering generalized for propagation-direction dependent mean free paths.

  18. N-{Delta} weak transition

    SciTech Connect

    Graczyk, Krzysztof M.

    2011-11-23

    A short review of the Rein-Sehgal and isobar models is presented. The attention is focused on the nucleon-{Delta}(1232) weak transition form-factors. The results of the recent re-analyses of the ANL and BNL bubble chamber neutrino-deuteron scattering data are discussed.

  19. Theory of weak hypernuclear decay

    SciTech Connect

    Dubach, J.F.; Feldman, G.B.; Holstein, B.R. |; de la Torre, L.

    1996-07-01

    The weak nomesonic decay of {Lambda}-hypernuclei is studied in the context of a one-meson-exchange model. Predictions are made for the decay rate, the {ital p}/{ital n} stimulation ratio and the asymmetry in polarized hypernuclear decay. Copyright {copyright} 1996 Academic Press, Inc.

  20. Weak localization of seismic waves.

    PubMed

    Larose, E; Margerin, L; Van Tiggelen, B A; Campillo, M

    2004-07-23

    We report the observation of weak localization of seismic waves in a natural environment. It emerges as a doubling of the seismic energy around the source within a spot of the width of a wavelength, which is several tens of meters in our case. The characteristic time for its onset is the scattering mean-free time that quantifies the internal heterogeneity.

  1. Cosmology with weak lensing surveys.

    PubMed

    Munshi, Dipak; Valageas, Patrick

    2005-12-15

    Weak gravitational lensing is responsible for the shearing and magnification of the images of high-redshift sources due to the presence of intervening mass. Since the lensing effects arise from deflections of the light rays due to fluctuations of the gravitational potential, they can be directly related to the underlying density field of the large-scale structures. Weak gravitational surveys are complementary to both galaxy surveys and cosmic microwave background observations as they probe unbiased nonlinear matter power spectra at medium redshift. Ongoing CMBR experiments such as WMAP and a future Planck satellite mission will measure the standard cosmological parameters with unprecedented accuracy. The focus of attention will then shift to understanding the nature of dark matter and vacuum energy: several recent studies suggest that lensing is the best method for constraining the dark energy equation of state. During the next 5 year period, ongoing and future weak lensing surveys such as the Joint Dark Energy Mission (JDEM; e.g. SNAP) or the Large-aperture Synoptic Survey Telescope will play a major role in advancing our understanding of the universe in this direction. In this review article, we describe various aspects of probing the matter power spectrum and the bi-spectrum and other related statistics with weak lensing surveys. This can be used to probe the background dynamics of the universe as well as the nature of dark matter and dark energy.

  2. Towards extending the applicability of density functional theory to weakly bound systems

    NASA Astrophysics Data System (ADS)

    Wu, X.; Vargas, M. C.; Nayak, S.; Lotrich, V.; Scoles, G.

    2001-11-01

    While the attempts currently in progress in several groups for the rigorous inclusion of dispersion interactions in density functional theory (DFT) calculations mature and evolve into practical methodology, we contribute to the debate on the applicability of current functionals to the calculation of weak interaction with a systematic investigation of a few, typical, weakly bound systems. We have used both pure DFT and a hybrid approach in which the total interaction energy is partitioned into two parts: (a) the dispersion energy which, in a first approximation is the contribution due to intermonomer correlations and (b) all other interactions. The first component is accurately obtained at all distances of interest by means of a well-known damped multipolar expansion of the dispersion energy while for the second component different approximations will be evaluated. The need to avoid double counting a fraction of the correlation energy when using the hybrid approach and the choice of the appropriate functional are also discussed. We consider four systems of increasing binding strength, namely the Ar2 and Kr2 dimers, the benzene dimer, the water dimer, and a few metal carbonyls. For pure DFT calculations we confirm the conclusion reached by others concerning (a) the strong dependence of the results on the choice of the GGA functional for dispersion-dominated interaction (noble gases and benzene) with the overall tendency to yield underbinding and (b) the relatively accurate, functional-independent, description for that DFT gives of water, which we attribute to the fact that this system is dominated by electrostatic interactions. For the carbonyls we find that DFT yields results which area again strongly dependent on the choice of the functional and show a tendency to give overbinding. Our hybrid method shows instead shortcomings only for the noble gases. The problem in this case is traceable to the well-known difficulties that all current functionals experience at

  3. The Preventive Effect of Calcium Supplementation on Weak Bones Caused by the Interaction of Exercise and Food Restriction in Young Female Rats During the Period from Acquiring Bone Mass to Maintaining Bone Mass.

    PubMed

    Aikawa, Yuki; Agata, Umon; Kakutani, Yuya; Kato, Shoyo; Noma, Yuichi; Hattori, Satoshi; Ogata, Hitomi; Ezawa, Ikuko; Omi, Naomi

    2016-01-01

    Increasing calcium (Ca) intake is important for female athletes with a risk of weak bone caused by inadequate food intake. The aim of the present study was to examine the preventive effect of Ca supplementation on low bone strength in young female athletes with inadequate food intake, using the rats as an experimental model. Seven-week-old female Sprague-Dawley rats were divided into four groups: the sedentary and ad libitum feeding group (SED), voluntary running exercise and ad libitum feeding group (EX), voluntary running exercise and 30% food restriction group (EX-FR), and a voluntary running exercise, 30% food-restricted and high-Ca diet group (EX-FR+Ca). To Ca supplementation, we used 1.2% Ca diet as "high-Ca diet" that contains two-fold Ca of normal Ca diet. The experiment lasted for 12 weeks. As a result, the energy availability, internal organ weight, bone strength, bone mineral density, and Ca absorption in the EX-FR group were significantly lower than those in the EX group. The bone strength and Ca absorption in the EX-FR+Ca group were significantly higher than those in the EX-FR group. However, the bone strength in the EX-FR+Ca group did not reach that in the EX group. These results suggested that Ca supplementation had a positive effect on bone strength, but the effect was not sufficient to prevent lower bone strength caused by food restriction in young female athletes.

  4. Weak values and weak coupling maximizing the output of weak measurements

    SciTech Connect

    Di Lorenzo, Antonio

    2014-06-15

    In a weak measurement, the average output 〈o〉 of a probe that measures an observable A{sup -hat} of a quantum system undergoing both a preparation in a state ρ{sub i} and a postselection in a state E{sub f} is, to a good approximation, a function of the weak value A{sub w}=Tr[E{sub f}A{sup -hat} ρ{sub i}]/Tr[E{sub f}ρ{sub i}], a complex number. For a fixed coupling λ, when the overlap Tr[E{sub f}ρ{sub i}] is very small, A{sub w} diverges, but 〈o〉 stays finite, often tending to zero for symmetry reasons. This paper answers the questions: what is the weak value that maximizes the output for a fixed coupling? What is the coupling that maximizes the output for a fixed weak value? We derive equations for the optimal values of A{sub w} and λ, and provide the solutions. The results are independent of the dimensionality of the system, and they apply to a probe having a Hilbert space of arbitrary dimension. Using the Schrödinger–Robertson uncertainty relation, we demonstrate that, in an important case, the amplification 〈o〉 cannot exceed the initial uncertainty σ{sub o} in the observable o{sup -hat}, we provide an upper limit for the more general case, and a strategy to obtain 〈o〉≫σ{sub o}. - Highlights: •We have provided a general framework to find the extremal values of a weak measurement. •We have derived the location of the extremal values in terms of preparation and postselection. •We have devised a maximization strategy going beyond the limit of the Schrödinger–Robertson relation.

  5. THE MISSING WEAK LENSING MASS IN A781

    SciTech Connect

    Cook, Richard I.; Dell'Antonio, I. P.

    2012-05-10

    Measuring cluster masses accurately is important for testing the cosmological paradigm. Weak lensing is one of the most promising methods for detecting, measuring, and calibrating cluster mass estimates made using other mass proxies (e.g., X-ray, Sunyaev-Zel'dovich effect, spectroscopy). However, it is still essential to characterize and understand the causes of systematic error and bias in weak lensing measurements. A781D is a cluster of galaxies with a mass and redshift that places it well within the theoretical detection limits of weak lensing analyses from the ground yet has evaded detection in previous weak lensing studies. Previous weak lensing measurements in the region surrounding this cluster from the Deep Lens Survey were unable to detect it and placed a 1{sigma} limit on the mass of <5 Multiplication-Sign 10{sup 13} M{sub Sun }. Given independent estimates of the cluster mass by X-ray and spectroscopic measurements and its spectroscopically confirmed redshift of 0.43, it is difficult to explain its absence from the weak lensing mass reconstructions. We re-analyzed this cluster using imaging from the Orthogonal Parallel Transfer Imaging Camera and archival Suprime-Cam data. We successfully detect A781A in both analyses, but A781D remains undetected. We use these two new independent analyses to rule out systematic effects from the telescope, instrument, and point-spread function correction as the cause of the null detection. We also demonstrate the first use of an orthogonal transfer camera for weak lensing analysis and demonstrate its suitability for weak lensing studies.

  6. Tomography and weak lensing statistics

    SciTech Connect

    Munshi, Dipak; Coles, Peter; Kilbinger, Martin E-mail: peter.coles@astro.cf.ac.uk

    2014-04-01

    We provide generic predictions for the lower order cumulants of weak lensing maps, and their correlators for tomographic bins as well as in three dimensions (3D). Using small-angle approximation, we derive the corresponding one- and two-point probability distribution function for the tomographic maps from different bins and for 3D convergence maps. The modelling of weak lensing statistics is obtained by adopting a detailed prescription for the underlying density contrast that involves hierarchal ansatz and lognormal distribution. We study the dependence of our results on cosmological parameters and source distributions corresponding to the realistic surveys such as LSST and DES. We briefly outline how photometric redshift information can be incorporated in our results. We also show how topological properties of convergence maps can be quantified using our results.

  7. Supramolecular assemblies of tetrafluoroterephthalic acid and N-heterocycles via various strong hydrogen bonds and weak Csbnd H⋯F interactions: Synthons cooperation, robust motifs and structural diversity

    NASA Astrophysics Data System (ADS)

    Hu, Yanjing; Hu, Hanbin; Li, Yingying; Chen, Ruixin; Yang, Yu; Wang, Lei

    2016-10-01

    A series of organic solid states including three salts, two co-crystals, and three hydrates based on tetrafluoroterephthalic acid (H2tfBDC) and N-bearing ligands (2,4-(1H,3H)-pyrimidine dione (PID), 2,4-dihydroxy-6-methyl pyrimidine (DHMPI), 2-amino-4,6-dimethyl pyrimidine (ADMPI), 2-amino-4,6-dimenthoxy pyrimidine (ADMOPI), 5,6-dimenthyl benzimidazole (DMBI), 2-aminobenzimidazole (ABI), 3,5-dimethyl pyrazole (DMP), and 3-cyanopyridine (3-CNpy)), namely, [(PID)2·(H2tfBDC)] (1), [(DHMPI)2·(H2tfBDC)] (2), [(H-ADMPI+)2·(tfBDC2-)·2(H2O)] (3), [(H-ADMOPI+)2·(tfBDC2-)·(H2O)] (4), [(H-DMBI+)2·(tfBDC2-)·2(H2O)] (5), [(H-ABI+)2·(tfBDC2-)] (6), [(H-DMP+)·(HtfBDC-)] (7), and [(H-3-CNpy+)·(HtfBDC-)] (8), were synthesized by solvent evaporation method. Crystal structures analyses show that the F atom of the H2tfBDC participates in multiple Csbnd H⋯F hydrogen bond formations, producing different supramolecular synthons. The weak hydrogen bonding Csbnd H⋯F and Nsbnd H⋯F play an important part in constructing the diversity structures 2-8, except in crystal 1. In complexes 1-3, they present the same synthon R22(8) with different N-heterocyclic compounds, which may show the strategy in constructing the supramolecular. Meanwhile, the complex 3 exhibits a 2D layer, and the independent molecules of water exist in the adjacent layers. In complexes 4 and 5, the water molecules connect the neighboring layers to form 3D network by strong Osbnd H⋯O hydrogen bonding. These crystals 1-8 were fully characterized by single-crystal X-ray crystallography, elemental analysis, infrared spectroscopy (IR), and thermogravimetric analysis (TGA).

  8. Weak localization in few-layer black phosphorus

    NASA Astrophysics Data System (ADS)

    Du, Yuchen; Neal, Adam T.; Zhou, Hong; Ye, Peide D.

    2016-06-01

    We have conducted a comprehensive investigation into the magneto-transport properties of few-layer black phosphorus in terms of phase coherence length, phase coherence time, and mobility via weak localization measurement and Hall-effect measurement. We present magnetoresistance data showing the weak localization effect in bare p-type few-layer black phosphorus and reveal its strong dependence on temperature and carrier concentration. The measured weak localization agrees well with the Hikami-Larkin-Nagaoka model and the extracted phase coherence length of 104 nm at 350 mK, decreasing as ˜T-0.513+-0.053 with increased temperature. Weak localization measurement allows us to qualitatively probe the temperature-dependent phase coherence time τ ϕ , which is in agreement with the theory of carrier interaction in the diffusive regime. We also observe the universal conductance fluctuation phenomenon in few-layer black phosphorus within moderate magnetic field and low temperature regime.

  9. Atmospheric Dispersion Effects in Weak Lensing Measurements

    SciTech Connect

    Plazas, Andrés Alejandro; Bernstein, Gary

    2012-10-01

    The wavelength dependence of atmospheric refraction causes elongation of finite-bandwidth images along the elevation vector, which produces spurious signals in weak gravitational lensing shear measurements unless this atmospheric dispersion is calibrated and removed to high precision. Because astrometric solutions and PSF characteristics are typically calibrated from stellar images, differences between the reference stars' spectra and the galaxies' spectra will leave residual errors in both the astrometric positions (dr) and in the second moment (width) of the wavelength-averaged PSF (dv) for galaxies.We estimate the level of dv that will induce spurious weak lensing signals in PSF-corrected galaxy shapes that exceed the statistical errors of the DES and the LSST cosmic-shear experiments. We also estimate the dr signals that will produce unacceptable spurious distortions after stacking of exposures taken at different airmasses and hour angles. We also calculate the errors in the griz bands, and find that dispersion systematics, uncorrected, are up to 6 and 2 times larger in g and r bands,respectively, than the requirements for the DES error budget, but can be safely ignored in i and z bands. For the LSST requirements, the factors are about 30, 10, and 3 in g, r, and i bands,respectively. We find that a simple correction linear in galaxy color is accurate enough to reduce dispersion shear systematics to insignificant levels in the r band for DES and i band for LSST,but still as much as 5 times than the requirements for LSST r-band observations. More complex corrections will likely be able to reduce the systematic cosmic-shear errors below statistical errors for LSST r band. But g-band effects remain large enough that it seems likely that induced systematics will dominate the statistical errors of both surveys, and cosmic-shear measurements should rely on the redder bands.

  10. Atmospheric Dispersion Effects in Weak Lensing Measurements

    DOE PAGES

    Plazas, Andrés Alejandro; Bernstein, Gary

    2012-10-01

    The wavelength dependence of atmospheric refraction causes elongation of finite-bandwidth images along the elevation vector, which produces spurious signals in weak gravitational lensing shear measurements unless this atmospheric dispersion is calibrated and removed to high precision. Because astrometric solutions and PSF characteristics are typically calibrated from stellar images, differences between the reference stars' spectra and the galaxies' spectra will leave residual errors in both the astrometric positions (dr) and in the second moment (width) of the wavelength-averaged PSF (dv) for galaxies.We estimate the level of dv that will induce spurious weak lensing signals in PSF-corrected galaxy shapes that exceed themore » statistical errors of the DES and the LSST cosmic-shear experiments. We also estimate the dr signals that will produce unacceptable spurious distortions after stacking of exposures taken at different airmasses and hour angles. We also calculate the errors in the griz bands, and find that dispersion systematics, uncorrected, are up to 6 and 2 times larger in g and r bands,respectively, than the requirements for the DES error budget, but can be safely ignored in i and z bands. For the LSST requirements, the factors are about 30, 10, and 3 in g, r, and i bands,respectively. We find that a simple correction linear in galaxy color is accurate enough to reduce dispersion shear systematics to insignificant levels in the r band for DES and i band for LSST,but still as much as 5 times than the requirements for LSST r-band observations. More complex corrections will likely be able to reduce the systematic cosmic-shear errors below statistical errors for LSST r band. But g-band effects remain large enough that it seems likely that induced systematics will dominate the statistical errors of both surveys, and cosmic-shear measurements should rely on the redder bands.« less

  11. On numerically accurate finite element

    NASA Technical Reports Server (NTRS)

    Nagtegaal, J. C.; Parks, D. M.; Rice, J. R.

    1974-01-01

    A general criterion for testing a mesh with topologically similar repeat units is given, and the analysis shows that only a few conventional element types and arrangements are, or can be made suitable for computations in the fully plastic range. Further, a new variational principle, which can easily and simply be incorporated into an existing finite element program, is presented. This allows accurate computations to be made even for element designs that would not normally be suitable. Numerical results are given for three plane strain problems, namely pure bending of a beam, a thick-walled tube under pressure, and a deep double edge cracked tensile specimen. The effects of various element designs and of the new variational procedure are illustrated. Elastic-plastic computation at finite strain are discussed.

  12. Extension of the weak-line approximation and application to correlated-k methods

    SciTech Connect

    Conley, A.J.; Collins, W.D.

    2011-03-15

    Global climate models require accurate and rapid computation of the radiative transfer through the atmosphere. Correlated-k methods are often used. One of the approximations used in correlated-k models is the weakline approximation. We introduce an approximation T/sub g/ which reduces to the weak-line limit when optical depths are small, and captures the deviation from the weak-line limit as the extinction deviates from the weak-line limit. This approximation is constructed to match the first two moments of the gamma distribution to the k-distribution of the transmission. We compare the errors of the weak-line approximation with T/sub g/ in the context of a water vapor spectrum. The extension T/sub g/ is more accurate and converges more rapidly than the weak-line approximation.

  13. Ground state energy of the δ-Bose and Fermi gas at weak coupling from double extrapolation

    NASA Astrophysics Data System (ADS)

    Prolhac, Sylvain

    2017-04-01

    We consider the ground state energy of the Lieb–Liniger gas with δ interaction in the weak coupling regime γ \\to 0 . For bosons with repulsive interaction, previous studies gave the expansion {{e}\\text{B}}≤ft(γ \\right)≃ γ -4{γ3/2}/3π +≤ft(1/6-1/{π2}\\right){γ2} . Using a numerical solution of the Lieb–Liniger integral equation discretized with M points and finite strength γ of the interaction, we obtain very accurate numerics for the next orders after extrapolation on M and γ. The coefficient of {γ5/2} in the expansion is found to be approximately equal to -0.001 587 699 865 505 944 989 29 , accurate within all digits shown. This value is supported by a numerical solution of the Bethe equations with N particles, followed by extrapolation on N and γ. It was identified as ≤ft(3\\zeta (3)/8-1/2\\right)/{π3} by G Lang. The next two coefficients are also guessed from the numerics. For balanced spin 1/2 fermions with attractive interaction, the best result so far for the ground state energy has been {{e}\\text{F}}≤ft(γ \\right)≃ {π2}/12-γ /2+{γ2}/6 . An analogue double extrapolation scheme leads to the value -\\zeta (3)/{π4} for the coefficient of {γ3} .

  14. Practical aspects of spatially high accurate methods

    NASA Technical Reports Server (NTRS)

    Godfrey, Andrew G.; Mitchell, Curtis R.; Walters, Robert W.

    1992-01-01

    The computational qualities of high order spatially accurate methods for the finite volume solution of the Euler equations are presented. Two dimensional essentially non-oscillatory (ENO), k-exact, and 'dimension by dimension' ENO reconstruction operators are discussed and compared in terms of reconstruction and solution accuracy, computational cost and oscillatory behavior in supersonic flows with shocks. Inherent steady state convergence difficulties are demonstrated for adaptive stencil algorithms. An exact solution to the heat equation is used to determine reconstruction error, and the computational intensity is reflected in operation counts. Standard MUSCL differencing is included for comparison. Numerical experiments presented include the Ringleb flow for numerical accuracy and a shock reflection problem. A vortex-shock interaction demonstrates the ability of the ENO scheme to excel in simulating unsteady high-frequency flow physics.

  15. Intermolecular potential functions from spectroscopic properties of weakly bound complexes

    SciTech Connect

    Muenter, J.S.

    1992-01-01

    Goal is to consolidate the information from high resolution spectroscopy of weakly bound cluster molecules through a theoretical model of intermolecular potential energy surfaces. The ability to construct analytic intermolecular potential functions that accurately predict the interaction energy between small molecules will have a major impact in chemistry, biochemistry, and biology. This document presents the evolution and capabilities of a potential function model developed here, and then describes plans for future developments and applications. This potential energy surface (PES) model was first used on (HCCH){sub 2}, (CO{sub 2}){sub 2}, HCCH - CO{sub 2}; it had to be modified to work with HX dimers and CO{sub 2}-HX complexes. Potential functions have been calculated for 15 different molecular complexes containing 7 different monomer molecules. Current questions, logical extensions and new applications of the model are discussed. The questions are those raised by changing the repulsion and dispersion terms. A major extension of the PES model will be the inclusion of induction effects. Projects in progress include PES calculations on (HCCH){sub 3}, CO{sub 2} containing complexes, (HX){sub 2}, HX - CO{sub 2}, CO{sub 2} - CO, (CO{sub 2}){sub 3}, and (OCS){sub 2}. The first PES calculation for a nonlinear molecule will be for water and ammonia complexes. Possible long-term applications for biological molecules are discussed. Differences between computer programs used for molecular mechanics and dynamics in biological systems are discussed, as is the problem of errors. 12 figs, 74 refs. (DLC)

  16. Weak decays of heavy hadrons into dynamically generated resonances

    SciTech Connect

    Oset, Eulogio; Liang, Wei -Hong; Bayar, Melahat; Xie, Ju -Jun; Dai, Lian Rong; Albaladejo, Miguel; Nielsen, Marina; Sekihara, Takayasu; Navarra, Fernando; Roca, Luis; Mai, Maxim; Nieves, Juan; Dias, Jorgivan Morais; Feijoo, Alberto; Magas, Volodymyr K.; Ramos, Angels; Miyahara, Kenta; Hyodo, Tetsuo; Jido, Daisuke; Doring, Michael; Molina, Raquel; Chen, Hua -Xing; Wang, En; Geng, Lisheng; Ikeno, Natsumi; Fernandez-Soler, Pedro; Sun, Zhi Feng

    2016-01-28

    In this study, we present a review of recent works on weak decay of heavy mesons and baryons with two mesons, or a meson and a baryon, interacting strongly in the final state. The aim is to learn about the interaction of hadrons and how some particular resonances are produced in the reactions. It is shown that these reactions have peculiar features and act as filters for some quantum numbers which allow to identify easily some resonances and learn about their nature. The combination of basic elements of the weak interaction with the framework of the chiral unitary approach allow for an interpretation of results of many reactions and add a novel information to different aspects of the hadron interaction and the properties of dynamically generated resonances.

  17. Weak decays of heavy hadrons into dynamically generated resonances

    DOE PAGES

    Oset, Eulogio; Liang, Wei -Hong; Bayar, Melahat; ...

    2016-01-28

    In this study, we present a review of recent works on weak decay of heavy mesons and baryons with two mesons, or a meson and a baryon, interacting strongly in the final state. The aim is to learn about the interaction of hadrons and how some particular resonances are produced in the reactions. It is shown that these reactions have peculiar features and act as filters for some quantum numbers which allow to identify easily some resonances and learn about their nature. The combination of basic elements of the weak interaction with the framework of the chiral unitary approach allowmore » for an interpretation of results of many reactions and add a novel information to different aspects of the hadron interaction and the properties of dynamically generated resonances.« less

  18. Transport Coefficients in weakly compressible turbulence

    NASA Technical Reports Server (NTRS)

    Rubinstein, Robert; Erlebacher, Gordon

    1996-01-01

    A theory of transport coefficients in weakly compressible turbulence is derived by applying Yoshizawa's two-scale direct interaction approximation to the compressible equations of motion linearized about a state of incompressible turbulence. The result is a generalization of the eddy viscosity representation of incompressible turbulence. In addition to the usual incompressible eddy viscosity, the calculation generates eddy diffusivities for entropy and pressure, and an effective bulk viscosity acting on the mean flow. The compressible fluctuations also generate an effective turbulent mean pressure and corrections to the speed of sound. Finally, a prediction unique to Yoshizawa's two-scale approximation is that terms containing gradients of incompressible turbulence quantities also appear in the mean flow equations. The form these terms take is described.

  19. Teleportation of a Weak Coherent Cavity Field State

    NASA Astrophysics Data System (ADS)

    Cardoso, Wesley B.; Qiang, Wen-Chao; Avelar, Ardiley T.

    2016-07-01

    In this paper we propose a scheme to teleport a weak coherent cavity field state. The scheme relies on the resonant atom-field interaction inside a high-Q cavity. The mean photon-number of the cavity field is assumed much smaller than one, hence the field decay inside the cavity can be effectively suppressed.

  20. Effect of weak inhomogeneities in high temperature superconductivity

    NASA Astrophysics Data System (ADS)

    Doluweera, D. G. Sumith P.

    We present results of three studies done using a dynamical cluster quantum Monte Carlo approximation. First, we investigate the d-wave superconducting transition temperature Tc in the doped 2D repulsive Hubbard model with a weak inhomogeneity in hopping in the form of checkerboard pattern or a lattice of 2 x 2 plaquettes. Near neighbor hoppings within a plaquette is t and that of between the plaquettes is t'. We investigate T c in the weak inhomogeneous limit 0.8t < t' < 1.2t. We find inhomogeneity (t' ≠ t) suppresses Tc. The characteristic spin excitation energy (effective exchange energy) and the strength of d-wave pairing interaction decrease with decreasing T c. The latter observations suggest a strong correlation among effective exchange interaction, Tc and the d-wave pairing interaction of the system. Second1, we further find that enhancement of effective exchange interaction causes a slight increase in Tc of a weakly disordered system with low impurity concentration, compared to the homogeneous system. Here the disorder is introduced to homogeneous repulsive 2D Hubbard model as a weak local potential disorder. Third, we present an improved maximum entropy method to analytically continue quantum Monte Carlo data with a severe sign problem. 1A result from a collaborative study done with A. Kemper of Florida State University.

  1. The weak scale from BBN

    NASA Astrophysics Data System (ADS)

    Hall, Lawrence J.; Pinner, David; Ruderman, Joshua T.

    2014-12-01

    The measured values of the weak scale, v, and the first generation masses, m u, d, e , are simultaneously explained in the multiverse, with all these parameters scanning independently. At the same time, several remarkable coincidences are understood. Small variations in these parameters away from their measured values lead to the instability of hydrogen, the instability of heavy nuclei, and either a hydrogen or a helium dominated universe from Big Bang Nucleosynthesis. In the 4d parameter space of ( m u , m d , m e , v), catastrophic boundaries are reached by separately increasing each parameter above its measured value by a factor of (1.4, 1.3, 2.5, ˜ 5), respectively. The fine-tuning problem of the weak scale in the Standard Model is solved: as v is increased beyond the observed value, it is impossible to maintain a significant cosmological hydrogen abundance for any values of m u, d, e that yield both hydrogen and heavy nuclei stability.

  2. Excited-state positronium formation in positron-hydrogen collisions under weakly coupled plasmas

    NASA Astrophysics Data System (ADS)

    Rej, Pramit; Ghoshal, Arijit

    2016-06-01

    The effect of screening of weakly coupled plasma on positronium (Ps) formation in excited states in the scattering of a positron from the ground state of a hydrogen atom has been investigated using a distorted wave theory which includes screened dipole polarization potential. The effect of external plasma has been incorporated by using the Debye-Hückel screening model of the interacting charge particles. Variationally determined simple hydrogenic wave functions have been used to obtain the distorted wave scattering amplitude in a closed form. Effects of plasma screening on the differential and total cross sections have been studied in detail in the energy range 20-300 eV of incident positron. For the free atomic case, our results agree nicely with some of the most accurate results available in the literature. To the best of our knowledge, such a study on the differential and total cross sections for Ps formation in highly excited states in positron-hydrogen collisions under weakly coupled plasma is reported first time in the literature.

  3. Accurate methods for large molecular systems.

    PubMed

    Gordon, Mark S; Mullin, Jonathan M; Pruitt, Spencer R; Roskop, Luke B; Slipchenko, Lyudmila V; Boatz, Jerry A

    2009-07-23

    Three exciting new methods that address the accurate prediction of processes and properties of large molecular systems are discussed. The systematic fragmentation method (SFM) and the fragment molecular orbital (FMO) method both decompose a large molecular system (e.g., protein, liquid, zeolite) into small subunits (fragments) in very different ways that are designed to both retain the high accuracy of the chosen quantum mechanical level of theory while greatly reducing the demands on computational time and resources. Each of these methods is inherently scalable and is therefore eminently capable of taking advantage of massively parallel computer hardware while retaining the accuracy of the corresponding electronic structure method from which it is derived. The effective fragment potential (EFP) method is a sophisticated approach for the prediction of nonbonded and intermolecular interactions. Therefore, the EFP method provides a way to further reduce the computational effort while retaining accuracy by treating the far-field interactions in place of the full electronic structure method. The performance of the methods is demonstrated using applications to several systems, including benzene dimer, small organic species, pieces of the alpha helix, water, and ionic liquids.

  4. A man with worsening weakness.

    PubMed

    Proietti, G; Puliti, M; Tulli, F; Silvestri, M

    1999-01-01

    The contemporary presence of organomegaly, skin manifestations, polyneuropathy, endocrinopathy and monoclonal component characterises the POEMS syndrome, often associated with osteosclerotic myeloma and Castelman's disease and more frequent in the Japanese. Clinical manifestations seem to be related to the production of many interleukins, mainly IL-1, IL-6 and TNF. Several endocrinopathies have been described, the most frequent being diabetes. Only one previous case of hypoparathyroidism associated with the syndrome has been described in medical reviews. Polyneuropathy is often sensitivo-motory and skin disease accounts for Raynaud phenomenon, skin pigmentation, hypertricosis and others. We describe the case of a 74-year-old man who underwent clinical examination for weakness mainly in the legs. Clinical and instrumental data showed rhabdomyolysis due to hypoparathyroidism. The contemporary presence of a monoclonal band of light chains on proteic electrophoresis, organomegaly and distal leg neuropathy allowed us to make a diagnosis of POEMS syndrome.

  5. Toward Accurate Adsorption Energetics on Clay Surfaces

    PubMed Central

    2016-01-01

    Clay minerals are ubiquitous in nature, and the manner in which they interact with their surroundings has important industrial and environmental implications. Consequently, a molecular-level understanding of the adsorption of molecules on clay surfaces is crucial. In this regard computer simulations play an important role, yet the accuracy of widely used empirical force fields (FF) and density functional theory (DFT) exchange-correlation functionals is often unclear in adsorption systems dominated by weak interactions. Herein we present results from quantum Monte Carlo (QMC) for water and methanol adsorption on the prototypical clay kaolinite. To the best of our knowledge, this is the first time QMC has been used to investigate adsorption at a complex, natural surface such as a clay. As well as being valuable in their own right, the QMC benchmarks obtained provide reference data against which the performance of cheaper DFT methods can be tested. Indeed using various DFT exchange-correlation functionals yields a very broad range of adsorption energies, and it is unclear a priori which evaluation is better. QMC reveals that in the systems considered here it is essential to account for van der Waals (vdW) dispersion forces since this alters both the absolute and relative adsorption energies of water and methanol. We show, via FF simulations, that incorrect relative energies can lead to significant changes in the interfacial densities of water and methanol solutions at the kaolinite interface. Despite the clear improvements offered by the vdW-corrected and the vdW-inclusive functionals, absolute adsorption energies are often overestimated, suggesting that the treatment of vdW forces in DFT is not yet a solved problem. PMID:27917256

  6. Standard systems for measurement of pKs and ionic mobilities. 1. Univalent weak acids.

    PubMed

    Slampová, Andrea; Krivánková, Ludmila; Gebauer, Petr; Bocek, Petr

    2008-12-05

    Determination of pK values of weak bases and acids by CZE has already attracted big attention in current practice and proved to offer the advantage of being applicable for mixtures of analytes. The method is based on the measurement of mobility curves plotting the effective mobility vs. the pH of the background electrolyte, and following computer-assisted regression involving corrections for ionic strength and temperature. To cover the necessary range of pH for a given case, both buffering weak acids and bases are used in one set of measurements, which requires implementing computations of individual ionic strength corrections for each pH value. It is also well known that some components of frequently used background electrolytes may interact with the analytes measured, on forming associates or complexes. This obviously deteriorates the reliability of the resulting data. This contribution brings a rational approach to this problem and establishes a standard system of anionic buffers for measurements of pKs and mobilities of weak acids, where the only counter cation present (besides H(+)) is Na(+). In this way, the risk of formation of complexes or associates of analytes with counter ions is strongly reduced. Moreover, the standard system of anionic buffers is selected in such a way that it provides, for an entire set of measurements, constant and accurately known ionic strength and the operational conditions are selected so that they provide constant Joule heating. Due to these precautions only one correction for ionic strength and temperature is needed for the obtained set of experimental data. This considerably facilitates their evaluation and regression analysis as the corrections need not be implemented in the computation software. The reliability and the advantages of the proposed system are well documented by experiments, where the known problematic group of phenol derivatives was measured with high accuracy and without any notice of anomalous behaviour.

  7. Deterministic weak localization in periodic structures.

    PubMed

    Tian, C; Larkin, A

    2005-12-09

    In some perfect periodic structures classical motion exhibits deterministic diffusion. For such systems we present the weak localization theory. As a manifestation for the velocity autocorrelation function a universal power law decay is predicted to appear at four Ehrenfest times. This deterministic weak localization is robust against weak quenched disorders, which may be confirmed by coherent backscattering measurements of periodic photonic crystals.

  8. Weak D in the Tunisian population

    PubMed Central

    Ouchari, Mouna; Romdhane, Houda; Chakroun, Taher; Abdelkefi, Saida; Houissa, Batoul; Hmida, Slama; Yacoub, Saloua Jemni

    2015-01-01

    Background More than 90 weak D types have been discovered to date. As there are no published data on the frequencies of weak D types in the Tunisian population, the aim of this study was to determine the composition of weak D alleles in our population. Material and methods Blood samples from 1777 D+ and 223 D− blood donors were tested for markers 809G, 1154C, 8G, 602G, 667G, 446A, and 885T relative to translation start codon by polymerase chain reaction with sequence-specific primers to estimate the frequencies of weak D type 1, weak D type 2, weak D type 3, weak D type 4, weak D type 5 and weak D type 11 in our population. Twenty-three samples with positive reactions were re-evaluated by DNA sequencing of RHD exons 1–10 and adjacent intronic sequences. Results Among the D+ donor cohort, weak D type 4 was the most prevalent allele (n=33, 1.2%) followed by weak D type 2 (n=6, 0.17%), weak D type 1 (n=4, 0.11%), and weak D type 5 (n=1, 0.28%) and weak D type 11 (n=1, 0.28%). RHD sequencing identified a weak D type 4.0 allele in all 19 samples tested. Among the D− pool, comprising 223 samples, we detected one sample with weak D type 4.0 associated with a C+c+E−e+ phenotype which had been missed by routine serological methods. Discussion Weak D type 4.0 appears to be the most prevalent weak D in our population. However, all samples must be sequenced in order to determine the exact subtype of weak D type 4, since weak D type 4.2 has considerable clinical importance, being associated with anti-D alloimmunisation. One case of weak D type 4 associated with dCe in trans had been missed by serology, so quality control of serological tests should be developed in our country. PMID:25369614

  9. Time-dependent current-density-functional theory for the linear response of weakly disordered systems

    NASA Astrophysics Data System (ADS)

    Ullrich, C. A.; Vignale, G.

    2002-05-01

    Time-dependent density-functional theory (TDFT) provides a way of calculating, in principle exactly, the linear response of interacting many-electron systems, and thus allows one to obtain their excitation energies. For extended systems, there exist excitations of a collective nature, such as bulk and surface plasmons in metals or intersubband plasmons in doped semiconductor quantum wells. This paper develops a quantitatively accurate first-principles description for the frequency and the linewidth of such excitations in inhomogeneous weakly disordered systems. A finite linewidth in general has intrinsic and extrinsic sources. At low temperatures and outside the region where electron-phonon interaction occurs, the only intrinsic damping mechanism is provided by electron-electron interaction. This kind of intrinsic damping can be described within TDFT, but one needs to go beyond the adiabatic approximation and include retardation effects. It has been shown [G. Vignale, C. A. Ullrich, and S. Conti, Phys. Rev. Lett. 79, 4878 (1997)] that a density-functional response theory that is local in space but nonlocal in time has to be constructed in terms of the currents, rather than the density. This theory will be reviewed in the first part of this paper. For quantitatively accurate linewidths, extrinsic dissipation mechanisms, such as impurities or disorder, have to be included in the response theory. In the second part of this paper, we discuss how extrinsic dissipation can be described within the so-called memory-function formalism. This formalism will first be introduced and reviewed for homogeneous systems. We will then present a synthesis of TDFT with the memory function formalism for inhomogeneous systems, which allows one to simultaneously account for intrinsic and extrinsic damping of collective excitations. As an example where both sources of dissipation are important and where high-quality experimental data are available for comparison, we discuss intersubband

  10. Magnetic reconnection in a weakly ionized plasma

    SciTech Connect

    Leake, James E.; Lukin, Vyacheslav S.; Linton, Mark G.

    2013-06-15

    Magnetic reconnection in partially ionized plasmas is a ubiquitous phenomenon spanning the range from laboratory to intergalactic scales, yet it remains poorly understood and relatively little studied. Here, we present results from a self-consistent multi-fluid simulation of magnetic reconnection in a weakly ionized reacting plasma with a particular focus on the parameter regime of the solar chromosphere. The numerical model includes collisional transport, interaction and reactions between the species, and optically thin radiative losses. This model improves upon our previous work in Leake et al.[“Multi-fluid simulations of chromospheric magnetic reconnection in a weakly ionized reacting plasma,” Astrophys. J. 760, 109 (2012)] by considering realistic chromospheric transport coefficients, and by solving a generalized Ohm's law that accounts for finite ion-inertia and electron-neutral drag. We find that during the two dimensional reconnection of a Harris current sheet with an initial width larger than the neutral-ion collisional coupling scale, the current sheet thins until its width becomes less than this coupling scale, and the neutral and ion fluids decouple upstream from the reconnection site. During this process of decoupling, we observe reconnection faster than the single-fluid Sweet-Parker prediction, with recombination and plasma outflow both playing a role in determining the reconnection rate. As the current sheet thins further and elongates, it becomes unstable to the secondary tearing instability, and plasmoids are seen. The reconnection rate, outflows, and plasmoids observed in this simulation provide evidence that magnetic reconnection in the chromosphere could be responsible for jet-like transient phenomena such as spicules and chromospheric jets.

  11. Anomalous baryogenesis at the weak scale

    SciTech Connect

    Singleton, R.L. Jr.

    1991-06-01

    One of the fundamental constants of nature is the baryon asymmetry of the universe -- the ratio of the number of baryons to the entropy. This constant is about 10{sup {minus}11}. In baryon- number conserving theories, this was just an initial condition. With the advent of the grand unified theories (GUTs), baryon number is no longer conserved, and this asymmetry can be generated dynamically. Unfortunately, however, there are reasons for preferring another mechanism. For example, GUTs predict proton decay which, after extensive searches, has not been found. An alternative place to look for baryogenesis is the electroweak phase transition, described by the standard model, which posses all the necessary ingredients for baryogenesis. Anomalous baryon-number violation in weak interactions becomes large at high temperatures, which offers the prospect of creating the asymmetry with the standard model or minimal extensions. This can just barely be done if certain conditions are fulfilled. CP violation must be large, which rules out the minimal standard model as the source of the asymmetry, but which is easily arranged with an extended Higgs sector. The baryon-number violating rates themselves are not exactly known, and they must be pushed to their theoretical limits. A more exact determination of these rates is needed before a definitive answer can be given. Finally, the phase transition must be at least weakly first order. Such phase transitions are accompanied by the formation and expansion of bubbles of true vacuum within the false vacuum, much like the boiling of water. As the bubbles expand, they provide a departure from thermal equilibrium, otherwise the dynamics will adjust the net baryon number to zero. The bubble expansion also provides a biasing that creates an asymmetry on the bubbles surface. Under optimal conditions, the observed asymmetry can just be produced. 31 refs., 10 figs.

  12. Weakly relativistic dispersion of Bernstein waves

    NASA Technical Reports Server (NTRS)

    Robinson, P. A.

    1988-01-01

    Weakly relativistic effects on the dispersion of Bernstein waves are investigated for waves propagating nearly perpendicular to a uniform magnetic field in a Maxwellian plasma. Attention is focused on those large-wave-vector branches that are either weakly damped or join continuously onto weakly damped branches since these are the modes of most interest in applications. The transition between dispersion at perpendicular and oblique propagation is examined and major weakly relativistic effects can dominate even in low-temperature plasmas. A number of simple analytic criteria are obtained which delimit the ranges of harmonic number and propagation angle within which various types of weakly damped Bernstein modes can exist.

  13. 38 CFR 4.46 - Accurate measurement.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 38 Pensions, Bonuses, and Veterans' Relief 1 2013-07-01 2013-07-01 false Accurate measurement. 4... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate measurement of the length of stumps, excursion of joints, dimensions and location of scars with respect...

  14. 38 CFR 4.46 - Accurate measurement.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 38 Pensions, Bonuses, and Veterans' Relief 1 2012-07-01 2012-07-01 false Accurate measurement. 4... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate measurement of the length of stumps, excursion of joints, dimensions and location of scars with respect...

  15. 38 CFR 4.46 - Accurate measurement.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 38 Pensions, Bonuses, and Veterans' Relief 1 2010-07-01 2010-07-01 false Accurate measurement. 4... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate measurement of the length of stumps, excursion of joints, dimensions and location of scars with respect...

  16. 38 CFR 4.46 - Accurate measurement.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 38 Pensions, Bonuses, and Veterans' Relief 1 2014-07-01 2014-07-01 false Accurate measurement. 4... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate measurement of the length of stumps, excursion of joints, dimensions and location of scars with respect...

  17. 38 CFR 4.46 - Accurate measurement.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 38 Pensions, Bonuses, and Veterans' Relief 1 2011-07-01 2011-07-01 false Accurate measurement. 4... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate measurement of the length of stumps, excursion of joints, dimensions and location of scars with respect...

  18. Competition among networks highlights the power of the weak.

    PubMed

    Iranzo, Jaime; Buldú, Javier M; Aguirre, Jacobo

    2016-11-14

    The unpreventable connections between real networked systems have recently called for an examination of percolation, diffusion or synchronization phenomena in multilayer networks. Here we use network science and game theory to explore interactions in networks-of-networks and model these as a game for gaining importance. We propose a viewpoint where networks choose the connection strategies, in contrast with classical approaches where nodes are the active players. Specifically, we investigate how creating paths between networks leads to different Nash equilibria that determine their structural and dynamical properties. In a wide variety of cases, selecting adequate connections leads to a cooperative solution that allows weak networks to overcome the strongest opponent. Counterintuitively, each weak network can induce a global transition to such cooperative configuration regardless of the actions of the strongest network. This power of the weak reveals a critical dominance of the underdogs in the fate of networks-of-networks.

  19. Competition among networks highlights the power of the weak

    NASA Astrophysics Data System (ADS)

    Iranzo, Jaime; Buldú, Javier M.; Aguirre, Jacobo

    2016-11-01

    The unpreventable connections between real networked systems have recently called for an examination of percolation, diffusion or synchronization phenomena in multilayer networks. Here we use network science and game theory to explore interactions in networks-of-networks and model these as a game for gaining importance. We propose a viewpoint where networks choose the connection strategies, in contrast with classical approaches where nodes are the active players. Specifically, we investigate how creating paths between networks leads to different Nash equilibria that determine their structural and dynamical properties. In a wide variety of cases, selecting adequate connections leads to a cooperative solution that allows weak networks to overcome the strongest opponent. Counterintuitively, each weak network can induce a global transition to such cooperative configuration regardless of the actions of the strongest network. This power of the weak reveals a critical dominance of the underdogs in the fate of networks-of-networks.

  20. Competition among networks highlights the power of the weak

    PubMed Central

    Iranzo, Jaime; Buldú, Javier M.; Aguirre, Jacobo

    2016-01-01

    The unpreventable connections between real networked systems have recently called for an examination of percolation, diffusion or synchronization phenomena in multilayer networks. Here we use network science and game theory to explore interactions in networks-of-networks and model these as a game for gaining importance. We propose a viewpoint where networks choose the connection strategies, in contrast with classical approaches where nodes are the active players. Specifically, we investigate how creating paths between networks leads to different Nash equilibria that determine their structural and dynamical properties. In a wide variety of cases, selecting adequate connections leads to a cooperative solution that allows weak networks to overcome the strongest opponent. Counterintuitively, each weak network can induce a global transition to such cooperative configuration regardless of the actions of the strongest network. This power of the weak reveals a critical dominance of the underdogs in the fate of networks-of-networks. PMID:27841258

  1. Weakly nonlinear simulation of planar stratified flows

    SciTech Connect

    King, Michael R.; McCready, Mark J.

    2000-01-01

    The interfacial behavior of two-fluid, planar flows is studied by numerical integration of weakly-nonlinear amplitude equations derived via eigenfunction expansion of the governing equations. This study extends the range of classic Stuart-Landau theories by the inclusion of a spectrum of modes allowing all possible quadratic and cubic interactions. Results are obtained for four cases where linear and Stuart-Landau theories do not give a complete description; gas-liquid and oil-water pressure driven flow, matched-density liquid-liquid Couette flow, and the region of gas-liquid flow near resonance that switches from supercritical to subcritical. It is found that integration of amplitude equations gives better qualitative and quantitative agreement with experiments than Stuart-Landau theory. Further, the distinctively different behaviors of these systems can be understood in terms of the spectrum of nonlinear coefficients. In gas-liquid channel flow a low wave number wave is destabilized through quadratic interaction with the mean flow mode. For liquid-liquid Poiseuille flow, a low wave number wave is destabilized through cubic interactions with higher modes. For depth and viscosity ratios where liquid-liquid Couette flow is unstable to long waves and for which the growth rates are not too large, simulation results predict that the waves grow to a statistically steady state where there is no preferred wave number. Stabilization is provided by an apparently self-similar cascade of energy to higher modes that are linearly stable, explaining why no visible waves occur in experiments done in this region. While Stuart-Landau theory provides no prediction of wave amplitude above criticality for subcritical cases, simulations show that wave saturation at small amplitude is possible and suggests that subcritical predictions may not mean that steady waves do not exist. (c) 2000 American Institute of Physics.

  2. Weak percolation on multiplex networks

    NASA Astrophysics Data System (ADS)

    Baxter, Gareth J.; Dorogovtsev, Sergey N.; Mendes, José F. F.; Cellai, Davide

    2014-04-01

    Bootstrap percolation is a simple but nontrivial model. It has applications in many areas of science and has been explored on random networks for several decades. In single-layer (simplex) networks, it has been recently observed that bootstrap percolation, which is defined as an incremental process, can be seen as the opposite of pruning percolation, where nodes are removed according to a connectivity rule. Here we propose models of both bootstrap and pruning percolation for multiplex networks. We collectively refer to these two models with the concept of "weak" percolation, to distinguish them from the somewhat classical concept of ordinary ("strong") percolation. While the two models coincide in simplex networks, we show that they decouple when considering multiplexes, giving rise to a wealth of critical phenomena. Our bootstrap model constitutes the simplest example of a contagion process on a multiplex network and has potential applications in critical infrastructure recovery and information security. Moreover, we show that our pruning percolation model may provide a way to diagnose missing layers in a multiplex network. Finally, our analytical approach allows us to calculate critical behavior and characterize critical clusters.

  3. Testing the weak equivalence principle

    NASA Astrophysics Data System (ADS)

    Nobili, Anna M.; Comandi, Gian Luca; Pegna, Raffaello; Bramanti, Donato; Doravari, Suresh; Maccarone, Francesco; Lucchesi, David M.

    2010-01-01

    The discovery of Dark Energy and the fact that only about 5% of the mass of the universe can be explained on the basis of the current laws of physics have led to a serious impasse. Based on past history, physics might indeed be on the verge of major discoveries; but the challenge is enormous. The way to tackle it is twofold. On one side, scientists try to perform large scale direct observations and measurements - mostly from space. On the other, they multiply their efforts to put to the most stringent tests ever the physical theories underlying the current view of the physical world, from the very small to the very large. On the extremely small scale very exciting results are expected from one of the most impressive experiments in the history of mankind: the Large Hadron Collider. On the very large scale, the universe is dominated by gravity and the present impasse undoubtedly calls for more powerful tests of General Relativity - the best theory of gravity to date. Experiments testing the Weak Equivalence Principle, on which General Relativity ultimately lies, have the strongest probing power of them all; a breakthrough in sensitivity is possible with the “Galileo Galilei” (GG) satellite experiment to fly in low Earth orbit.

  4. Leg Weakness Caused by Bilateral Piriformis Syndrome: A Case Report

    PubMed Central

    Moon, Hee Bong; Kwon, Bum Sun; Park, Jin Woo; Ryu, Gi Hyeong; Lee, Ho Jun; Kim, Chang Jae

    2015-01-01

    Piriformis syndrome (PS) is an uncommon neuromuscular disorder caused by the piriformis muscle (PM) compressing the sciatic nerve (SN). The main symptom of PS is sciatica, which worsens with certain triggering conditions. Because the pathophysiology is poorly understood, there are no definite diagnostic and therapeutic choices for PS. This case report presents a young woman who mainly complained of bilateral leg weakness. Electromyography revealed bilateral sciatic neuropathy and magnetic resonance imaging confirmed structural lesions causing entrapment of the bilateral SNs. After a laborious diagnosis of bilateral PS, she underwent PM releasing surgery. Few PS cases present with bilateral symptoms and leg weakness. Therefore, in such cases, a high level of suspicion is necessary for accurate and prompt diagnosis and treatment. PMID:26798622

  5. Leg Weakness Caused by Bilateral Piriformis Syndrome: A Case Report.

    PubMed

    Moon, Hee Bong; Nam, Ki Yeun; Kwon, Bum Sun; Park, Jin Woo; Ryu, Gi Hyeong; Lee, Ho Jun; Kim, Chang Jae

    2015-12-01

    Piriformis syndrome (PS) is an uncommon neuromuscular disorder caused by the piriformis muscle (PM) compressing the sciatic nerve (SN). The main symptom of PS is sciatica, which worsens with certain triggering conditions. Because the pathophysiology is poorly understood, there are no definite diagnostic and therapeutic choices for PS. This case report presents a young woman who mainly complained of bilateral leg weakness. Electromyography revealed bilateral sciatic neuropathy and magnetic resonance imaging confirmed structural lesions causing entrapment of the bilateral SNs. After a laborious diagnosis of bilateral PS, she underwent PM releasing surgery. Few PS cases present with bilateral symptoms and leg weakness. Therefore, in such cases, a high level of suspicion is necessary for accurate and prompt diagnosis and treatment.

  6. Weak target extraction algorithm based on nonsubsampled contourlet transform

    NASA Astrophysics Data System (ADS)

    Wei, Zhang; Fan, Zhongcheng

    2015-12-01

    A new target extraction algorithm based Nonsubsampled Contourlet Transform(NSCT) is proposed according to the difficulty of weak target extraction. Paper detailed analyses and summarizes the data feature of image in NSCT domain, proposes a weak target extraction algorithm using high-frequency coefficients and mathematical morphology. The high-frequency coefficients were calculated by NSCT at first. Then the high-frequency coefficients were processed for noise cancellation by adaptive thresholds in corresponding sub-band. After these operations, the mathematical morphology method was adopted to remedy the defects of image contour. Finally, the object image is obtained by inverse NSCT. The simulation results show that this method can detect the target information fast and accurately, can meet the practical requirement.

  7. The DES Science Verification Weak Lensing Shear Catalogs

    SciTech Connect

    Jarvis, M.

    2016-05-01

    We present weak lensing shear catalogs for 139 square degrees of data taken during the Science Verification (SV) time for the new Dark Energy Camera (DECam) being used for the Dark Energy Survey (DES). We describe our object selection, point spread function estimation and shear measurement procedures using two independent shear pipelines, IM3SHAPE and NGMIX, which produce catalogs of 2.12 million and 3.44 million galaxies respectively. We also detail a set of null tests for the shear measurements and find that they pass the requirements for systematic errors at the level necessary for weak lensing science applications using the SV data. Furthermore, we discuss some of the planned algorithmic improvements that will be necessary to produce sufficiently accurate shear catalogs for the full 5-year DES, which is expected to cover 5000 square degrees.

  8. The DES Science Verification weak lensing shear catalogues

    NASA Astrophysics Data System (ADS)

    Jarvis, M.; Sheldon, E.; Zuntz, J.; Kacprzak, T.; Bridle, S. L.; Amara, A.; Armstrong, R.; Becker, M. R.; Bernstein, G. M.; Bonnett, C.; Chang, C.; Das, R.; Dietrich, J. P.; Drlica-Wagner, A.; Eifler, T. F.; Gangkofner, C.; Gruen, D.; Hirsch, M.; Huff, E. M.; Jain, B.; Kent, S.; Kirk, D.; MacCrann, N.; Melchior, P.; Plazas, A. A.; Refregier, A.; Rowe, B.; Rykoff, E. S.; Samuroff, S.; Sánchez, C.; Suchyta, E.; Troxel, M. A.; Vikram, V.; Abbott, T.; Abdalla, F. B.; Allam, S.; Annis, J.; Benoit-Lévy, A.; Bertin, E.; Brooks, D.; Buckley-Geer, E.; Burke, D. L.; Capozzi, D.; Carnero Rosell, A.; Carrasco Kind, M.; Carretero, J.; Castander, F. J.; Clampitt, J.; Crocce, M.; Cunha, C. E.; D'Andrea, C. B.; da Costa, L. N.; DePoy, D. L.; Desai, S.; Diehl, H. T.; Doel, P.; Fausti Neto, A.; Flaugher, B.; Fosalba, P.; Frieman, J.; Gaztanaga, E.; Gerdes, D. W.; Gruendl, R. A.; Gutierrez, G.; Honscheid, K.; James, D. J.; Kuehn, K.; Kuropatkin, N.; Lahav, O.; Li, T. S.; Lima, M.; March, M.; Martini, P.; Miquel, R.; Mohr, J. J.; Neilsen, E.; Nord, B.; Ogando, R.; Reil, K.; Romer, A. K.; Roodman, A.; Sako, M.; Sanchez, E.; Scarpine, V.; Schubnell, M.; Sevilla-Noarbe, I.; Smith, R. C.; Soares-Santos, M.; Sobreira, F.; Swanson, M. E. C.; Tarle, G.; Thaler, J.; Thomas, D.; Walker, A. R.; Wechsler, R. H.

    2016-08-01

    We present weak lensing shear catalogues for 139 square degrees of data taken during the Science Verification (SV) time for the new Dark Energy Camera (DECam) being used for the Dark Energy Survey (DES). We describe our object selection, point spread function estimation and shear measurement procedures using two independent shear pipelines, IM3SHAPE and NGMIX, which produce catalogues of 2.12 million and 3.44 million galaxies, respectively. We detail a set of null tests for the shear measurements and find that they pass the requirements for systematic errors at the level necessary for weak lensing science applications using the SV data. We also discuss some of the planned algorithmic improvements that will be necessary to produce sufficiently accurate shear catalogues for the full 5-yr DES, which is expected to cover 5000 square degrees.

  9. The DES Science Verification Weak Lensing Shear Catalogs

    DOE PAGES

    Jarvis, M.

    2016-05-01

    We present weak lensing shear catalogs for 139 square degrees of data taken during the Science Verification (SV) time for the new Dark Energy Camera (DECam) being used for the Dark Energy Survey (DES). We describe our object selection, point spread function estimation and shear measurement procedures using two independent shear pipelines, IM3SHAPE and NGMIX, which produce catalogs of 2.12 million and 3.44 million galaxies respectively. We also detail a set of null tests for the shear measurements and find that they pass the requirements for systematic errors at the level necessary for weak lensing science applications using the SVmore » data. Furthermore, we discuss some of the planned algorithmic improvements that will be necessary to produce sufficiently accurate shear catalogs for the full 5-year DES, which is expected to cover 5000 square degrees.« less

  10. Superallowed Nuclear Beta Decay: A Window on the Weak Interaction

    SciTech Connect

    Hardy, J. C.

    2008-01-24

    Measurements on superallowed 0{sup +}{yields}0{sup +} nuclear beta transitions currently provide the most demanding test of the Conserved Vector Current (CVC) hypothesis and the most precise value for the up-down element, V{sub ud}, of the Cabibbo-Kobayashi-Maskawa (CKM) matrix. Both are sensitive probes for physics beyond the Standard Model. Analysis of the experimental results depends on small radiative and isospin-symmetry-breaking corrections whose uncertainties now dominate those from experiment. Recent experiments have been focusing on tests of these corrections with a view to reducing their uncertainties. An overview is presented together with a description of measurements at Texas A and M on the superallowed decay of {sup 34}Ar.

  11. Biological effects due to weak magnetic field on plants

    NASA Astrophysics Data System (ADS)

    Belyavskaya, N. A.

    2004-01-01

    magnetic field may cause different biological effects at the cellular, tissue and organ levels. They may be functionally related to systems that regulate plant metabolism including the intracellular Ca 2+ homeostasis. However, our understanding of very complex fundamental mechanisms and sites of interactions between weak magnetic fields and biological systems is still incomplete and still deserve strong research efforts.

  12. Differential diagnosis of shoulder pain followed by progressive weakness: a case report.

    PubMed

    Rosenthal, Michael D

    2009-01-01

    Upper extremity weakness can be the result of a myriad of conditions ranging from contractile tissue injury, joint injury, or injury to central or peripheral nervous system components. Accurate diagnosis is important in establishing an optimal treatment regimen and sound prognosis. This report provides an overview of the diagnosis and treatment of Parsonage-Turner Syndrome, a relatively rare cause of upper extremity weakness and dysfunction.

  13. Accurate equilibrium structures for piperidine and cyclohexane.

    PubMed

    Demaison, Jean; Craig, Norman C; Groner, Peter; Écija, Patricia; Cocinero, Emilio J; Lesarri, Alberto; Rudolph, Heinz Dieter

    2015-03-05

    Extended and improved microwave (MW) measurements are reported for the isotopologues of piperidine. New ground state (GS) rotational constants are fitted to MW transitions with quartic centrifugal distortion constants taken from ab initio calculations. Predicate values for the geometric parameters of piperidine and cyclohexane are found from a high level of ab initio theory including adjustments for basis set dependence and for correlation of the core electrons. Equilibrium rotational constants are obtained from GS rotational constants corrected for vibration-rotation interactions and electronic contributions. Equilibrium structures for piperidine and cyclohexane are fitted by the mixed estimation method. In this method, structural parameters are fitted concurrently to predicate parameters (with appropriate uncertainties) and moments of inertia (with uncertainties). The new structures are regarded as being accurate to 0.001 Å and 0.2°. Comparisons are made between bond parameters in equatorial piperidine and cyclohexane. Another interesting result of this study is that a structure determination is an effective way to check the accuracy of the ground state experimental rotational constants.

  14. Enhancing robustness of multiparty quantum correlations using weak measurement

    SciTech Connect

    Singh, Uttam; Mishra, Utkarsh; Dhar, Himadri Shekhar

    2014-11-15

    Multipartite quantum correlations are important resources for the development of quantum information and computation protocols. However, the resourcefulness of multipartite quantum correlations in practical settings is limited by its fragility under decoherence due to environmental interactions. Though there exist protocols to protect bipartite entanglement under decoherence, the implementation of such protocols for multipartite quantum correlations has not been sufficiently explored. Here, we study the effect of local amplitude damping channel on the generalized Greenberger–Horne–Zeilinger state, and use a protocol of optimal reversal quantum weak measurement to protect the multipartite quantum correlations. We observe that the weak measurement reversal protocol enhances the robustness of multipartite quantum correlations. Further it increases the critical damping value that corresponds to entanglement sudden death. To emphasize the efficacy of the technique in protection of multipartite quantum correlation, we investigate two proximately related quantum communication tasks, namely, quantum teleportation in a one sender, many receivers setting and multiparty quantum information splitting, through a local amplitude damping channel. We observe an increase in the average fidelity of both the quantum communication tasks under the weak measurement reversal protocol. The method may prove beneficial, for combating external interactions, in other quantum information tasks using multipartite resources. - Highlights: • Extension of weak measurement reversal scheme to protect multiparty quantum correlations. • Protection of multiparty quantum correlation under local amplitude damping noise. • Enhanced fidelity of quantum teleportation in one sender and many receivers setting. • Enhanced fidelity of quantum information splitting protocol.

  15. Weak antilocalization in Cd3As2 thin films

    PubMed Central

    Zhao, Bo; Cheng, Peihong; Pan, Haiyang; Zhang, Shuai; Wang, Baigeng; Wang, Guanghou; Xiu, Faxian; Song, Fengqi

    2016-01-01

    Recently, it has been theoretically predicted that Cd3As2 is a three dimensional Dirac material, a new topological phase discovered after topological insulators, which exhibits a linear energy dispersion in the bulk with massless Dirac fermions. Here, we report on the low-temperature magnetoresistance measurements on a ~50 nm-thick Cd3As2 film. The weak antilocalization under perpendicular magnetic field is discussed based on the two-dimensional Hikami-Larkin-Nagaoka (HLN) theory. The electron-electron interaction is addressed as the source of the dephasing based on the temperature-dependent scaling behavior. The weak antilocalization can be also observed while the magnetic field is parallel to the electric field due to the strong interaction between the different conductance channels in this quasi-two-dimensional film. PMID:26935029

  16. Water on BN doped benzene: A hard test for exchange-correlation functionals and the impact of exact exchange on weak binding

    SciTech Connect

    Al-Hamdani, Yasmine S.; Alfè, Dario; von Lilienfeld, O. Anatole; Michaelides, Angelos

    2014-10-22

    Density functional theory (DFT) studies of weakly interacting complexes have recently focused on the importance of van der Waals dispersion forces, whereas the role of exchange has received far less attention. Here, by exploiting the subtle binding between water and a boron and nitrogen doped benzene derivative (1,2-azaborine) we show how exact exchange can alter the binding conformation within a complex. Benchmark values have been calculated for three orientations of the water monomer on 1,2-azaborine from explicitly correlated quantum chemical methods, and we have also used diffusion quantum Monte Carlo. For a host of popular DFT exchange-correlation functionals we show that the lack of exact exchange leads to the wrong lowest energy orientation of water on 1,2-azaborine. As such, we suggest that a high proportion of exact exchange and the associated improvement in the electronic structure could be needed for the accurate prediction of physisorption sites on doped surfaces and in complex organic molecules. Meanwhile to predict correct absolute interaction energies an accurate description of exchange needs to be augmented by dispersion inclusive functionals, and certain non-local van der Waals functionals (optB88- and optB86b-vdW) perform very well for absolute interaction energies. Through a comparison with water on benzene and borazine (B₃N₃H₆) we show that these results could have implications for the interaction of water with doped graphene surfaces, and suggest a possible way of tuning the interaction energy.

  17. Was Newton right? A search for non-Newtonian behavior of weak-field gravity

    NASA Astrophysics Data System (ADS)

    Boynton, Paul; Moore, Michael; Newman, Riley; Berg, Eric; Bonicalzi, Ricco; McKenney, Keven

    2014-06-01

    Empirical tests of Einstein's metric theory of gravitation, even in the non-relativistic, weak-field limit, could play an important role in judging theory-driven extensions of the current Standard Model of fundamental interactions. Guided by Galileo's work and his own experiments, Newton formulated a theory of gravity in which the force of attraction between two bodies is independent of composition and proportional to the inertia of each, thereby transparently satisfying Galileo's empirically informed conjecture regarding the Universality of Free Fall. Similarly, Einstein honored the manifest success of Newton's theory by assuring that the linearized equations of GTR matched the Newtonian formalism under "classical" conditions. Each of these steps, however, was explicitly an approximation raised to the status of principle. Perhaps, at some level, Newtonian gravity does not accurately describe the physical interaction between uncharged, unmagnetized, macroscopic bits of ordinary matter. What if Newton were wrong? Detecting any significant deviation from Newtonian behavior, no matter how small, could provide new insights and possibly reveal new physics. In the context of physics as an empirical science, for us this yet unanswered question constitutes sufficient motivation to attempt precision measurements of the kind described here. In this paper we report the current status of a project to search for violation of the Newtonian inverse square law of gravity.

  18. Standard systems for measurement of pK values and ionic mobilities: 2. Univalent weak bases.

    PubMed

    Slampová, Andrea; Krivánková, Ludmila; Gebauer, Petr; Bocek, Petr

    2009-04-24

    This paper contributes to the methodology of measuring pK values and ionic mobilities by capillary zone electrophoresis by introducing the principle of constant ionic strength and minimum interaction of analytes with counterionic components and presenting a standard system of cationic buffers for measurements of weak bases. The system is designed so that all buffers comprise the same concentration of Cl(-) present as the only counter anion. This minimizes problems caused by interactions between the counterion and the analytes which may otherwise bring biased values of obtained effective mobilities. Further, the buffer system provides constant and accurately known ionic strength for an entire set of measurements. When additionally all measurements are performed with constant Joule heating, one correction for ionic strength and temperature is then needed for the obtained set of experimental data. This considerably facilitates their evaluation and regression analysis as the corrections for ionic strength and Joule heating need not be implemented in the computation software and may be applied only once to the final regression results. An experimental example of the proposed methodology is presented and the reliability and the advantages of the proposed system are shown, where the known problematic groups of amines and pyridine were measured with high accuracy and without any notice of anomalous behavior.

  19. Classical field approach to quantum weak measurements.

    PubMed

    Dressel, Justin; Bliokh, Konstantin Y; Nori, Franco

    2014-03-21

    By generalizing the quantum weak measurement protocol to the case of quantum fields, we show that weak measurements probe an effective classical background field that describes the average field configuration in the spacetime region between pre- and postselection boundary conditions. The classical field is itself a weak value of the corresponding quantum field operator and satisfies equations of motion that extremize an effective action. Weak measurements perturb this effective action, producing measurable changes to the classical field dynamics. As such, weakly measured effects always correspond to an effective classical field. This general result explains why these effects appear to be robust for pre- and postselected ensembles, and why they can also be measured using classical field techniques that are not weak for individual excitations of the field.

  20. Weak gravitational lensing by galaxies

    SciTech Connect

    Brainerd, T.G. |; Blandford, R.D.; Smail, I. |

    1996-08-01

    We report a detection of weak, tangential distortion of the images of cosmologically distant, faint galaxies due to gravitational lensing by foreground galaxies. A mean image polarization of ({ital p})=0.011{plus_minus}0.006 (95{percent} confidence bounds) is obtained for 3202 pairs of source (23{lt}{ital r}{sub {ital s}}{le}24) and lens (20{le}{ital r}{sub {ital d}}{le}23) galaxies with projected separations of 5{double_prime}{le}{theta}{le}34{double_prime}. Averaged over annuli of inner radius 5{double_prime} and outer radius {theta}{sub max}, the signal is string for lens-source separations of {theta}{sub max}{approx_lt}90{double_prime} consistent with quasi-isothermal galaxy halos extending to large radii ({approx_gt}100{ital h}{sup {minus}1} kpc). The observed polarization is also consistent with the signal expected on the basis of simulations incorporating measured properties of local galaxies and modest extrapolations of the observed redshift distribution of faint galaxies (to which the results are somewhat sensitive). From the simulations we obtain formal best-fit model parameters for the dark halos of the lens galaxies that consist of a characteristic circular velocity of {ital V}{asterisk}{approximately}220{plus_minus}80 kms{sup {minus}1} and characteristic radial extent of {ital s}{asterisk}{approx_gt}100{ital h}{sup {minus}1} kpc. The predicted polarization based on the model is relatively insensitive to the characteristic radial extent of the halos, {ital s}{asterisk}, and very small halos ({ital s}{asterisk}{approximately}10{ital h}{sup {minus}1} kpc) are excluded only at the 2 {sigma} level. The formal best-fit halo parameters imply typical masses for the lens galaxies within a radius of 100{ital h}{sup -1} kpc on the order of 1.0{sup +1.2}{sub {minus}0.5}{times}10{sup 12} {ital h}{sup {minus}1}{ital M}{sub {circle_dot}} (90% confidence bounds), in agreement with recent dynamical estimates of the masses of local spiral galaxies.

  1. Weak turbulence theory for collisional plasmas

    NASA Astrophysics Data System (ADS)

    Yoon, P. H.; Ziebell, L. F.; Kontar, E. P.; Schlickeiser, R.

    2016-03-01

    Plasma is an ionized gas in which the collective behavior dominates over the individual particle interactions. For this reason, plasma is often treated as collisionless or collision-free. However, the discrete nature of the particles can be important, and often, the description of plasmas is incomplete without properly taking the discrete particle effects into account. The weak turbulence theory is a perturbative nonlinear theory, whose essential formalism was developed in the late 1950s and 1960s and continued on through the early 1980s. However, the standard material found in the literature does not treat the discrete particle effects and the associated fluctuations emitted spontaneously by thermal particles completely. Plasma particles emit electromagnetic fluctuations in all frequencies and wave vectors, but in the standard literature, the fluctuations are approximately treated by considering only those frequency-wave number regimes corresponding to the eigenmodes (or normal modes) satisfying the dispersion relations, while ignoring contributions from noneigenmodes. The present paper shows that the noneigenmode fluctuations modify the particle kinetic equation so that the generalized equation includes the Balescu-Lénard-Landau collision integral and also modify the wave kinetic equation to include not only the collisional damping term but also a term that depicts the bremsstrahlung emission of plasma normal modes.

  2. Weak turbulence theory for collisional plasmas.

    PubMed

    Yoon, P H; Ziebell, L F; Kontar, E P; Schlickeiser, R

    2016-03-01

    Plasma is an ionized gas in which the collective behavior dominates over the individual particle interactions. For this reason, plasma is often treated as collisionless or collision-free. However, the discrete nature of the particles can be important, and often, the description of plasmas is incomplete without properly taking the discrete particle effects into account. The weak turbulence theory is a perturbative nonlinear theory, whose essential formalism was developed in the late 1950s and 1960s and continued on through the early 1980s. However, the standard material found in the literature does not treat the discrete particle effects and the associated fluctuations emitted spontaneously by thermal particles completely. Plasma particles emit electromagnetic fluctuations in all frequencies and wave vectors, but in the standard literature, the fluctuations are approximately treated by considering only those frequency-wave number regimes corresponding to the eigenmodes (or normal modes) satisfying the dispersion relations, while ignoring contributions from noneigenmodes. The present paper shows that the noneigenmode fluctuations modify the particle kinetic equation so that the generalized equation includes the Balescu-Lénard-Landau collision integral and also modify the wave kinetic equation to include not only the collisional damping term but also a term that depicts the bremsstrahlung emission of plasma normal modes.

  3. Lizard locomotion on weak sand

    NASA Astrophysics Data System (ADS)

    Goldman, Daniel

    2005-03-01

    Terrestrial animal locomotion in the natural world can involve complex foot-ground interaction; for example, running on sand probes the solid and fluid behaviors of the medium. We study locomotion of desert-dwelling lizard Callisaurus draconoides (length 16 cm, mass=20 g) during rapid running on sand. To explore the role of foot-ground interaction on locomotion, we study the impact of flat disks ( 2 cm diameter, 10 grams) into a deep (800 particle diameters) bed of 250 μm glass spheres of fixed volume fraction φ 0.59, and use a vertical flow of air (a fluidized bed) to change the material properties of the medium. A constant flow Q below the onset of bed fluidization weakens the solid: at fixed φ the penetration depth and time of a disk increases with increasing Q. We measure the average speed, foot impact depth, and foot contact time as a function of material strength. The animal maintains constant penetration time (30 msec) and high speed (1.4 m/sec) even when foot penetration depth varies as we manipulate material strength. The animals compensate for decreasing propulsion by increasing stride frequency.

  4. Non-canonical distribution and non-equilibrium transport beyond weak system-bath coupling regime: A polaron transformation approach

    NASA Astrophysics Data System (ADS)

    Xu, Dazhi; Cao, Jianshu

    2016-08-01

    The concept of polaron, emerged from condense matter physics, describes the dynamical interaction of moving particle with its surrounding bosonic modes. This concept has been developed into a useful method to treat open quantum systems with a complete range of system-bath coupling strength. Especially, the polaron transformation approach shows its validity in the intermediate coupling regime, in which the Redfield equation or Fermi's golden rule will fail. In the polaron frame, the equilibrium distribution carried out by perturbative expansion presents a deviation from the canonical distribution, which is beyond the usual weak coupling assumption in thermodynamics. A polaron transformed Redfield equation (PTRE) not only reproduces the dissipative quantum dynamics but also provides an accurate and efficient way to calculate the non-equilibrium steady states. Applications of the PTRE approach to problems such as exciton diffusion, heat transport and light-harvesting energy transfer are presented.

  5. Evolution of weak disturbances in inert binary mixtures

    NASA Technical Reports Server (NTRS)

    Rasmussen, M. L.

    1977-01-01

    The evolution of weak disturbances in inert binary mixtures is determined for the one-dimensional piston problem. The interaction of the dissipative and nonlinear mechanisms is described by Burgers' equation. The binary mixture diffusion mechanisms enter as an additive term in an effective diffusivity. Results for the impulsive motion of a piston moving into an ambient medium and the sinusoidally oscillating piston are used to illustrate the results and elucidate the incorrect behavior pertaining to the associated linear theory.

  6. Gravi-weak unification and multiple-point principle

    SciTech Connect

    Das, S. R.; Laperashvili, L. V.; Nielsen, H. B.; Tureanu, A.; Froggatt, C. D.

    2015-05-15

    The problem of self-consistency of the unification of gravity and weak SU(2) interaction in a model that is invariant under the Spin(4, 4) group is studied. For this purpose, consequences of the multicritical-point principle, which admits the existence of two degenerate vacua in the Standard Model, are considered. Also, the existence of a visible and an invisible sector in our Universe is assumed.

  7. Weak compressible magnetohydrodynamic turbulence in the solar corona.

    PubMed

    Chandran, Benjamin D G

    2005-12-31

    This Letter presents a calculation of the power spectra of weakly turbulent Alfvén waves and fast magnetosonic waves ("fast waves") in low- plasmas. It is shown that three-wave interactions transfer energy to high-frequency fast waves and, to a lesser extent, high-frequency Alfvén waves. High-frequency waves produced by MHD turbulence are a promising explanation for the anisotropic heating of minor ions in the solar corona.

  8. Weak point target detection in star sensor

    NASA Astrophysics Data System (ADS)

    Liu, Da; Xiong, Yazhou; Li, Yi; Wang, Li; Li, Chunyan; Yin, Fang

    2016-11-01

    Space weak point targets detection is very useful in non cooperative target detection. Influenced by the chip noise and space environmental noise, weak point targets detection becomes a difficulty. In the paper, firstly the star is extracted from the picture, the background picture is filtered to reduce the noise, and then the moving distance between adjacent pictures is calculated, after picture overlapping between adjacent pictures, the energy of the weak point target is improved, with a appropriate threshold, the weak point target is extracted. The proposed method can be widely utilized in space exploration, space defense etc.

  9. Weak measurements and nonClassical correlations

    NASA Astrophysics Data System (ADS)

    Lekshmi, S.; Shaji, N.; Shaji, Anil

    2017-01-01

    We extend the definition of quantum discord as a quantifier of nonClassical correlations in a quantum state to the case where weak measurements are performed on subsystem A of a bipartite system AB. The properties of weak discord are explored for several families of quantum states. We find that in many cases weak quantum discord is identical to normal discord and in general the values of the two are very close to each other. Weak quantum discord reduces to discord in the appropriate limits as well. We also discuss the implications of these observations on the interpretations of quantum discord.

  10. Note: Nonpolar solute partial molar volume response to attractive interactions with water

    SciTech Connect

    Williams, Steven M.; Ashbaugh, Henry S.

    2014-01-07

    The impact of attractive interactions on the partial molar volumes of methane-like solutes in water is characterized using molecular simulations. Attractions account for a significant 20% volume drop between a repulsive Weeks-Chandler-Andersen and full Lennard-Jones description of methane interactions. The response of the volume to interaction perturbations is characterized by linear fits to our simulations and a rigorous statistical thermodynamic expression for the derivative of the volume to increasing attractions. While a weak non-linear response is observed, an average effective slope accurately captures the volume decrease. This response, however, is anticipated to become more non-linear with increasing solute size.

  11. One-dimensional quantum liquids with power-law interactions: the Luttinger staircase.

    PubMed

    Dalmonte, M; Pupillo, G; Zoller, P

    2010-10-01

    We study one-dimensional fermionic and bosonic gases with repulsive power-law interactions 1/|x|(β), with β>1, in the framework of Tomonaga-Luttinger liquid (TLL) theory. We obtain an accurate analytical expression linking the TLL parameter to the microscopic Hamiltonian, for arbitrary β and strength of the interactions. In the presence of a small periodic potential, power-law interactions make the TLL unstable towards the formation of a cascade of lattice solids with fractional filling, a "Luttinger staircase." Several of these quantum phases and phase transitions are realized with ground state polar molecules and weakly bound magnetic Feshbach molecules.

  12. Weak ferromagnetic behavior, crystal structure, and electronic studies of novel [Cu(II)(Br)(PhCO 2)(Sp)] (Sp=(-)-sparteine) complex

    NASA Astrophysics Data System (ADS)

    Reyes-Ortega, Yasmi; Alcántara-Flores, José Luis; Hernández-Galindo, María del Carmen; Gutiérrez-Pérez, René; Ramírez-Rosales, Daniel; Bernès, Sylvain; Cabrera-Vivas, Blanca Martha; Durán-Hernández, Alejandro; Zamorano-Ulloa, Rafael

    2006-05-01

    Complex [Cu(II)(Br)(PhCO 2)(Sp)] 1 is obtained starting from copper(0), (-)-sparteine (sp) and benzoyl bromide. 1 Crystallizes in the monoclinic space group P2 1 with a=14.8857(11), b=8.9257(9), c=17.4456(14) Å, β=111.689(5)°, and Z=4. The UV-vis spectrum is characteristic of Cu(II) complexes with tetragonally distorted square pyramidal geometry. The far IR spectrum of 1 shows characteristic vibrations of Cu-Br (239 cm -1), Cu-N (437 cm -1) and Cu-O (466 cm -1) bonds. The 1H NMR broad chemical shifts of 1 integrated for a total of 31 protons and are typical of Cu(II) complexes. ESR spectra of polycrystalline 1 at 77 and 300 K show axial spectra with areas in the ratio A77/ A300=4.02, suggesting a very weak Cu-Cu ferromagnetic interaction. Complex 1-doped with Zn(II) gives hfs with hyperfine interaction constant value A∥=112.45×10 -4 cm -1. The magnetization vs temperature data in the 2-299 K range, show that cupric ion pairs interact through a small antiferromagnetic Heisenberg exchange energy— JS1· S2 with a ground singlet state S=0, separated by J=-1.3 cm -1 from the excited triplet state S=1. The sign of the very weak interchange interaction constant, J, does not agree with the ESR spectra areas ratio of 1 at 77 and 300 K, which is a more accurate quantification of the weak ferromagnetic interaction Cu-Cu through the space.

  13. Pervasive Sound Sensing: A Weakly Supervised Training Approach.

    PubMed

    Kelly, Daniel; Caulfield, Brian

    2016-01-01

    Modern smartphones present an ideal device for pervasive sensing of human behavior. Microphones have the potential to reveal key information about a person's behavior. However, they have been utilized to a significantly lesser extent than other smartphone sensors in the context of human behavior sensing. We postulate that, in order for microphones to be useful in behavior sensing applications, the analysis techniques must be flexible and allow easy modification of the types of sounds to be sensed. A simplification of the training data collection process could allow a more flexible sound classification framework. We hypothesize that detailed training, a prerequisite for the majority of sound sensing techniques, is not necessary and that a significantly less detailed and time consuming data collection process can be carried out, allowing even a nonexpert to conduct the collection, labeling, and training process. To test this hypothesis, we implement a diverse density-based multiple instance learning framework, to identify a target sound, and a bag trimming algorithm, which, using the target sound, automatically segments weakly labeled sound clips to construct an accurate training set. Experiments reveal that our hypothesis is a valid one and results show that classifiers, trained using the automatically segmented training sets, were able to accurately classify unseen sound samples with accuracies comparable to supervised classifiers, achieving an average F -measure of 0.969 and 0.87 for two weakly supervised datasets.

  14. On modeling weak sinks in MODPATH

    USGS Publications Warehouse

    Abrams, Daniel B.; Haitjema, Henk; Kauffman, Leon J.

    2012-01-01

    Regional groundwater flow systems often contain both strong sinks and weak sinks. A strong sink extracts water from the entire aquifer depth, while a weak sink lets some water pass underneath or over the actual sink. The numerical groundwater flow model MODFLOW may allow a sink cell to act as a strong or weak sink, hence extracting all water that enters the cell or allowing some of that water to pass. A physical strong sink can be modeled by either a strong sink cell or a weak sink cell, with the latter generally occurring in low resolution models. Likewise, a physical weak sink may also be represented by either type of sink cell. The representation of weak sinks in the particle tracing code MODPATH is more equivocal than in MODFLOW. With the appropriate parameterization of MODPATH, particle traces and their associated travel times to weak sink streams can be modeled with adequate accuracy, even in single layer models. Weak sink well cells, on the other hand, require special measures as proposed in the literature to generate correct particle traces and individual travel times and hence capture zones. We found that the transit time distributions for well water generally do not require special measures provided aquifer properties are locally homogeneous and the well draws water from the entire aquifer depth, an important observation for determining the response of a well to non-point contaminant inputs.

  15. On modeling weak sinks in MODPATH.

    PubMed

    Abrams, Daniel; Haitjema, H; Kauffman, L

    2013-01-01

    Regional groundwater flow systems often contain both strong sinks and weak sinks. A strong sink extracts water from the entire aquifer depth, while a weak sink lets some water pass underneath or over the actual sink. The numerical groundwater flow model MODFLOW may allow a sink cell to act as a strong or weak sink, hence extracting all water that enters the cell or allowing some of that water to pass. A physical strong sink can be modeled by either a strong sink cell or a weak sink cell, with the latter generally occurring in low-resolution models. Likewise, a physical weak sink may also be represented by either type of sink cell. The representation of weak sinks in the particle tracing code MODPATH is more equivocal than in MODFLOW. With the appropriate parameterization of MODPATH, particle traces and their associated travel times to weak sink streams can be modeled with adequate accuracy, even in single layer models. Weak sink well cells, on the other hand, require special measures as proposed in the literature to generate correct particle traces and individual travel times and hence capture zones. We found that the transit time distributions for well water generally do not require special measures provided aquifer properties are locally homogeneous and the well draws water from the entire aquifer depth, an important observation for determining the response of a well to non-point contaminant inputs.

  16. Spin Seebeck effect in a weak ferromagnet

    NASA Astrophysics Data System (ADS)

    Arboleda, Juan David; Arnache Olmos, Oscar; Aguirre, Myriam Haydee; Ramos, Rafael; Anadon, Alberto; Ibarra, Manuel Ricardo

    2016-06-01

    We report the observation of room temperature spin Seebeck effect (SSE) in a weak ferromagnetic normal spinel Zinc Ferrite (ZFO). Despite the weak ferromagnetic behavior, the measurements of the SSE in ZFO show a thermoelectric voltage response comparable with the reported values for other ferromagnetic materials. Our results suggest that SSE might possibly originate from the surface magnetization of the ZFO.

  17. Few body hypernuclear systems: Weak decays

    SciTech Connect

    Dover, C.B.

    1987-01-01

    The experimental and theoretical situation regarding mesonic and non-mesonic decays of light hypernuclei is reviewed. Although some models give reasonable results for pionic decays as well as the total weak decay rate, no existing approach explains, even qualitatively, the observed spin-isospin dependence of ..lambda..N ..-->.. NN non-mesonic weak decays. 31 refs., 2 figs.

  18. An outlier filtering approach for machine sourced weak segmentations

    NASA Astrophysics Data System (ADS)

    Margolin, Elza; Furst, Jacob; Raicu, Daniela

    2015-03-01

    Analysis of medical images by radiologists is often a time consuming and costly process. Computer Aided diagnosis (CAD) systems can be used to provide second opinion and assist radiologists in diagnosis. Crowdsourcing has been a tool used by many domains in order to generate fast and cheap labels. However, exposing medical images to a large crowd is problematic. Our system takes a machine sourcing approach to CADs - that is, the idea that multiple weak segmentations can be used to create predictions with the same quality as an expert. We propose that the use of a large amount of weak segmentations can simulate crowdsourcing to create accurate predictions of semantic characteristics. In addition, we investigated the idea that outliers filtering will better performance of this CAD. Three segmentation algorithms were employed to create 20 weak segmentations. Low quality segmentations were then removed using outlier filtering method. Segmentations were then classified using an ensemble classifier to create final predictions. It was found that this CAD preformed just as well or better than a radiologist. In contrast, the removal of outliers from the set of segmentations does not improve the result further.

  19. Weak-value amplification: state of play

    NASA Astrophysics Data System (ADS)

    Knee, George C.; Combes, Joshua; Ferrie, Christopher; Gauger, Erik M.

    2016-01-01

    Weak values arise in quantum theory when the result of a weak measurement is conditioned on a subsequent strong measurement. The majority of the trials are discarded, leaving only very few successful events. Intriguingly those can display a substantial signal amplification. This raises the question of whether weak values carry potential to improve the performance of quantum sensors, and indeed a number of impressive experimental results suggested this may be the case. By contrast, recent theoretical studies have found the opposite: using weak-values to obtain an amplification generally worsens metrological performance. This survey summarises the implications of those studies, which call for a reappraisal of weak values' utility and for further work to reconcile theory and experiment.

  20. Hadronic weak charges and parity-violating forward Compton scattering

    NASA Astrophysics Data System (ADS)

    Gorchtein, Mikhail; Spiesberger, Hubert

    2016-11-01

    Background: Parity-violating elastic electron-nucleon scattering at low momentum transfer allows one to access the nucleon's weak charge, the vector coupling of the Z -boson to the nucleon. In the Standard Model and at tree level, the weak charge of the proton is related to the weak mixing angle and accidentally suppressed, QWp ,tree=1 -4 sin2θW≈0.07 . Modern experiments aim at extracting QWp at ˜1 % accuracy. Similarly, parity nonconservation in atoms allows to access the weak charge of atomic nuclei. Purpose: We consider a novel class of radiative corrections due to the exchange of two photons, with parity violation in the hadronic/nuclear system. These corrections are prone to long-range interactions and may affect the extraction of sin2θW from the experimental data at the relevant level of precision. Methods: The two-photon exchange contribution to the parity-violating electron-proton scattering amplitude is studied in the framework of forward dispersion relations. We address the general properties of the parity-violating forward Compton scattering amplitude and use relativistic chiral perturbation theory to provide the first field-theoretical proof that it obeys a superconvergence relation. Results: We show that the significance of this new correction increases with the beam energy in parity-violating electron scattering, but the superconvergence relation protects the formal definition of the weak charge as a limit at zero-momentum transfer and zero energy. We evaluate the new correction in a hadronic model with pion loops and the Δ (1232 ) resonance, supplemented with a high-energy contribution. For the kinematic conditions of existing and upcoming experiments we show that two-photon exchange corrections with hadronic or nuclear parity violation do not pose a problem for the interpretation of the data in terms of the weak mixing angle at the present level of accuracy. Conclusions: Two-photon exchange in presence of hadronic or nuclear parity violation