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Sample records for 3-point correlation function

  1. Toda 3-point functions from topological strings II

    NASA Astrophysics Data System (ADS)

    Isachenkov, Mikhail; Mitev, Vladimir; Pomoni, Elli

    2016-08-01

    In [1] we proposed a formula for the 3-point structure constants of generic primary fields in the Toda field theory, derived using topological strings and the AGT-W correspondence from the partition functions of the non-Lagrangian T N theories on S 4. In this article, we obtain from it the well-known formula by Fateev and Litvinov and show that the degeneration on a first level of one of the three primary fields on the Toda side corresponds to a particular Higgsing of the T N theories.

  2. The (not so) squeezed limit of the primordial 3-point function

    SciTech Connect

    Creminelli, Paolo; Musso, Marcello; D'Amico, Guido; Noreña, Jorge E-mail: gda2@nyu.edu E-mail: jorge.norena@icc.ub.edu

    2011-11-01

    We prove that, in a generic single-field model, the consistency relation for the 3-point function in the squeezed limit receives corrections that vanish quadratically in the ratio of the momenta, i.e. as (k{sub L}/k{sub S}){sup 2}. This implies that a detection of a bispectrum signal going as 1/k{sub L}{sup 2} in the squeezed limit, that is suppressed only by one power of k{sub L} compared with the local shape, would rule out all single-field models. The absence of this kind of terms in the bispectrum holds also for multifield models, but only if all the fields have a mass much smaller than H. The detection of any scale dependence of the bias, for scales much larger than the size of the haloes, would disprove all single-field models. We comment on the regime of squeezing that can be probed by realistic surveys.

  3. Correlation, functional analysis and optical pattern recognition

    SciTech Connect

    Dickey, F.M.; Lee, M.L.; Stalker, K.T.

    1994-03-01

    Correlation integrals have played a central role in optical pattern recognition. The success of correlation, however, has been limited. What is needed is a mathematical operation more complex than correlation. Suitably complex operations are the functionals defined on the Hilbert space of Lebesgue square integrable functions. Correlation is a linear functional of a parameter. In this paper, we develop a representation of functionals in terms of inner products or equivalently correlation functions. We also discuss the role of functionals in neutral networks. Having established a broad relation of correlation to pattern recognition, we discuss the computation of correlation functions using acousto-optics.

  4. Boundary anomalies and correlation functions

    NASA Astrophysics Data System (ADS)

    Huang, Kuo-Wei

    2016-08-01

    It was shown recently that boundary terms of conformal anomalies recover the universal contribution to the entanglement entropy and also play an important role in the boundary monotonicity theorem of odd-dimensional quantum field theories. Motivated by these results, we investigate relationships between boundary anomalies and the stress tensor correlation functions in conformal field theories. In particular, we focus on how the conformal Ward identity and the renormalization group equation are modified by boundary central charges. Renormalized stress tensors induced by boundary Weyl invariants are also discussed, with examples in spherical and cylindrical geometries.

  5. Functional Multiple-Set Canonical Correlation Analysis

    ERIC Educational Resources Information Center

    Hwang, Heungsun; Jung, Kwanghee; Takane, Yoshio; Woodward, Todd S.

    2012-01-01

    We propose functional multiple-set canonical correlation analysis for exploring associations among multiple sets of functions. The proposed method includes functional canonical correlation analysis as a special case when only two sets of functions are considered. As in classical multiple-set canonical correlation analysis, computationally, the…

  6. Loops in inflationary correlation functions

    NASA Astrophysics Data System (ADS)

    Tanaka, Takahiro; Urakawa, Yuko

    2013-12-01

    We review the recent progress regarding the loop corrections to the correlation functions in the inflationary universe. A naive perturbation theory predicts that the loop corrections generated during inflation suffer from various infrared (IR) pathologies. Introducing an IR cutoff by hand is neither satisfactory nor enough to fix the problem of a secular growth, which may ruin the predictive power of inflation models if the inflation lasts sufficiently long. We discuss the origin of the IR divergences and explore the regularity conditions of the loop corrections for the adiabatic perturbation, the iso-curvature perturbation, and the tensor perturbation, in turn. These three kinds of perturbations have qualitative differences, but in discussing the IR regularity there is a feature common to all cases, which is the importance of the proper identification of observable quantities. Genuinely, observable quantities should respect the gauge invariance from the view point of a local observer. Interestingly, we find that the requirement of the IR regularity restricts the allowed quantum states.

  7. Exact correlation functions in SU(2) N=2 superconformal QCD.

    PubMed

    Baggio, Marco; Niarchos, Vasilis; Papadodimas, Kyriakos

    2014-12-19

    We report an exact solution of 2- and 3-point functions of chiral primary fields in SU(2) N=2 super-Yang-Mills theory coupled to four hypermultiplets. It is shown that these correlation functions are nontrivial functions of the gauge coupling, obeying differential equations which take the form of the semi-infinite Toda chain. We solve these equations recursively in terms of the Zamolodchikov metric that can be determined exactly from supersymmetric localization on the four-sphere. Our results are verified independently in perturbation theory with a Feynman diagram computation up to 2 loops. This is a short version of a companion paper that contains detailed technical remarks, additional material, and aspects of an extension to the SU(N) gauge group. PMID:25554873

  8. RECONSTRUCTING THE SHAPE OF THE CORRELATION FUNCTION

    SciTech Connect

    Huffenberger, K. M.; Galeazzi, M.; Ursino, E.

    2013-06-01

    We develop an estimator for the correlation function which, in the ensemble average, returns the shape of the correlation function, even for signals that have significant correlations on the scale of the survey region. Our estimator is general and works in any number of dimensions. We develop versions of the estimator for both diffuse and discrete signals. As an application, we apply them to Monte Carlo simulations of X-ray background measurements. These include a realistic, spatially inhomogeneous population of spurious detector events. We discuss applying the estimator to the averaging of correlation functions evaluated on several small fields, and to other cosmological applications.

  9. Correlation functions along a massless flow

    SciTech Connect

    Delfino, G.; Mussardo, G.; Simonetti, P.

    1995-06-15

    A nonperturbative method based on the form factor bootstrap approach is proposed for the analysis of correlation functions of two-dimensional massless integrable theories and applied to the massless flow between the tricritical Ising and the critical Ising models.

  10. On the measurability of quantum correlation functions

    SciTech Connect

    Lima Bernardo, Bertúlio de Azevedo, Sérgio; Rosas, Alexandre

    2015-05-15

    The concept of correlation function is widely used in classical statistical mechanics to characterize how two or more variables depend on each other. In quantum mechanics, on the other hand, there are observables that cannot be measured at the same time; the so-called incompatible observables. This prospect imposes a limitation on the definition of a quantum analog for the correlation function in terms of a sequence of measurements. Here, based on the notion of sequential weak measurements, we circumvent this limitation by introducing a framework to measure general quantum correlation functions, in principle, independently of the state of the system and the operators involved. To illustrate, we propose an experimental configuration to obtain explicitly the quantum correlation function between two Pauli operators, in which the input state is an arbitrary mixed qubit state encoded on the polarization of photons.

  11. On the measurability of quantum correlation functions

    NASA Astrophysics Data System (ADS)

    de Lima Bernardo, Bertúlio; Azevedo, Sérgio; Rosas, Alexandre

    2015-05-01

    The concept of correlation function is widely used in classical statistical mechanics to characterize how two or more variables depend on each other. In quantum mechanics, on the other hand, there are observables that cannot be measured at the same time; the so-called incompatible observables. This prospect imposes a limitation on the definition of a quantum analog for the correlation function in terms of a sequence of measurements. Here, based on the notion of sequential weak measurements, we circumvent this limitation by introducing a framework to measure general quantum correlation functions, in principle, independently of the state of the system and the operators involved. To illustrate, we propose an experimental configuration to obtain explicitly the quantum correlation function between two Pauli operators, in which the input state is an arbitrary mixed qubit state encoded on the polarization of photons.

  12. Multitime correlation functions in nonclassical stochastic processes

    NASA Astrophysics Data System (ADS)

    Krumm, F.; Sperling, J.; Vogel, W.

    2016-06-01

    A general method is introduced for verifying multitime quantum correlations through the characteristic function of the time-dependent P functional that generalizes the Glauber-Sudarshan P function. Quantum correlation criteria are derived which identify quantum effects for an arbitrary number of points in time. The Magnus expansion is used to visualize the impact of the required time ordering, which becomes crucial in situations when the interaction problem is explicitly time dependent. We show that the latter affects the multi-time-characteristic function and, therefore, the temporal evolution of the nonclassicality. As an example, we apply our technique to an optical parametric process with a frequency mismatch. The resulting two-time-characteristic function yields full insight into the two-time quantum correlation properties of such a system.

  13. Generalized hydrodynamic correlations and fractional memory functions

    NASA Astrophysics Data System (ADS)

    Rodríguez, Rosalio F.; Fujioka, Jorge

    2015-12-01

    A fractional generalized hydrodynamic (GH) model of the longitudinal velocity fluctuations correlation, and its associated memory function, for a complex fluid is analyzed. The adiabatic elimination of fast variables introduces memory effects in the transport equations, and the dynamic of the fluctuations is described by a generalized Langevin equation with long-range noise correlations. These features motivate the introduction of Caputo time fractional derivatives and allows us to calculate analytic expressions for the fractional longitudinal velocity correlation function and its associated memory function. Our analysis eliminates a spurious constant term in the non-fractional memory function found in the non-fractional description. It also produces a significantly slower power-law decay of the memory function in the GH regime that reduces to the well-known exponential decay in the non-fractional Navier-Stokes limit.

  14. Density functional theory for pair correlation functions in polymeric liquids

    NASA Astrophysics Data System (ADS)

    Yethiraj, Arun; Fynewever, Herb; Shew, Chwen-Yang

    2001-03-01

    A density functional theory is presented for the pair correlation functions in polymeric liquids. The theory uses the Yethiraj-Woodward free-energy functional for the polymeric liquid, where the ideal gas free-energy functional is treated exactly and the excess free-energy functional is obtained using a weighted density approximation with the simplest choice of the weighting function. Pair correlation functions are obtained using the Percus trick, where the external field is taken to be a single polymer molecule. The minimization of the free energy in the theory requires a two molecule simulation at each iteration. The theory is very accurate for the pair correlation functions in freely jointed tangent-hard-sphere chains and freely rotating fused-hard-sphere chains, especially at low densities and for long chains. In addition, the theory allows the calculation of the virial pressure in these systems and shows a remarkable degree of consistency between the virial and compressibility pressure.

  15. Pair correlation function integrals: Computation and use

    NASA Astrophysics Data System (ADS)

    Wedberg, Rasmus; O'Connell, John P.; Peters, Günther H.; Abildskov, Jens

    2011-08-01

    We describe a method for extending radial distribution functions obtained from molecular simulations of pure and mixed molecular fluids to arbitrary distances. The method allows total correlation function integrals to be reliably calculated from simulations of relatively small systems. The long-distance behavior of radial distribution functions is determined by requiring that the corresponding direct correlation functions follow certain approximations at long distances. We have briefly described the method and tested its performance in previous communications [R. Wedberg, J. P. O'Connell, G. H. Peters, and J. Abildskov, Mol. Simul. 36, 1243 (2010);, 10.1080/08927020903536366 Fluid Phase Equilib. 302, 32 (2011)], 10.1016/j.fluid.2010.10.004, but describe here its theoretical basis more thoroughly and derive long-distance approximations for the direct correlation functions. We describe the numerical implementation of the method in detail, and report numerical tests complementing previous results. Pure molecular fluids are here studied in the isothermal-isobaric ensemble with isothermal compressibilities evaluated from the total correlation function integrals and compared with values derived from volume fluctuations. For systems where the radial distribution function has structure beyond the sampling limit imposed by the system size, the integration is more reliable, and usually more accurate, than simple integral truncation.

  16. Triplet correlation functions in liquid water

    SciTech Connect

    Dhabal, Debdas; Chakravarty, Charusita; Singh, Murari; Wikfeldt, Kjartan Thor

    2014-11-07

    Triplet correlations have been shown to play a crucial role in the transformation of simple liquids to anomalous tetrahedral fluids [M. Singh, D. Dhabal, A. H. Nguyen, V. Molinero, and C. Chakravarty, Phys. Rev. Lett. 112, 147801 (2014)]. Here we examine triplet correlation functions for water, arguably the most important tetrahedral liquid, under ambient conditions, using configurational ensembles derived from molecular dynamics (MD) simulations and reverse Monte Carlo (RMC) datasets fitted to experimental scattering data. Four different RMC data sets with widely varying hydrogen-bond topologies fitted to neutron and x-ray scattering data are considered [K. T. Wikfeldt, M. Leetmaa, M. P. Ljungberg, A. Nilsson, and L. G. M. Pettersson, J. Phys. Chem. B 113, 6246 (2009)]. Molecular dynamics simulations are performed for two rigid-body effective pair potentials (SPC/E and TIP4P/2005) and the monatomic water (mW) model. Triplet correlation functions are compared with other structural measures for tetrahedrality, such as the O–O–O angular distribution function and the local tetrahedral order distributions. In contrast to the pair correlation functions, which are identical for all the RMC ensembles, the O–O–O triplet correlation function can discriminate between ensembles with different degrees of tetrahedral network formation with the maximally symmetric, tetrahedral SYM dataset displaying distinct signatures of tetrahedrality similar to those obtained from atomistic simulations of the SPC/E model. Triplet correlations from the RMC datasets conform closely to the Kirkwood superposition approximation, while those from MD simulations show deviations within the first two neighbour shells. The possibilities for experimental estimation of triplet correlations of water and other tetrahedral liquids are discussed.

  17. Triplet correlation functions in liquid water

    NASA Astrophysics Data System (ADS)

    Dhabal, Debdas; Singh, Murari; Wikfeldt, Kjartan Thor; Chakravarty, Charusita

    2014-11-01

    Triplet correlations have been shown to play a crucial role in the transformation of simple liquids to anomalous tetrahedral fluids [M. Singh, D. Dhabal, A. H. Nguyen, V. Molinero, and C. Chakravarty, Phys. Rev. Lett. 112, 147801 (2014)]. Here we examine triplet correlation functions for water, arguably the most important tetrahedral liquid, under ambient conditions, using configurational ensembles derived from molecular dynamics (MD) simulations and reverse Monte Carlo (RMC) datasets fitted to experimental scattering data. Four different RMC data sets with widely varying hydrogen-bond topologies fitted to neutron and x-ray scattering data are considered [K. T. Wikfeldt, M. Leetmaa, M. P. Ljungberg, A. Nilsson, and L. G. M. Pettersson, J. Phys. Chem. B 113, 6246 (2009)]. Molecular dynamics simulations are performed for two rigid-body effective pair potentials (SPC/E and TIP4P/2005) and the monatomic water (mW) model. Triplet correlation functions are compared with other structural measures for tetrahedrality, such as the O-O-O angular distribution function and the local tetrahedral order distributions. In contrast to the pair correlation functions, which are identical for all the RMC ensembles, the O-O-O triplet correlation function can discriminate between ensembles with different degrees of tetrahedral network formation with the maximally symmetric, tetrahedral SYM dataset displaying distinct signatures of tetrahedrality similar to those obtained from atomistic simulations of the SPC/E model. Triplet correlations from the RMC datasets conform closely to the Kirkwood superposition approximation, while those from MD simulations show deviations within the first two neighbour shells. The possibilities for experimental estimation of triplet correlations of water and other tetrahedral liquids are discussed.

  18. Locality of correlation in density functional theory.

    PubMed

    Burke, Kieron; Cancio, Antonio; Gould, Tim; Pittalis, Stefano

    2016-08-01

    The Hohenberg-Kohn density functional was long ago shown to reduce to the Thomas-Fermi (TF) approximation in the non-relativistic semiclassical (or large-Z) limit for all matter, i.e., the kinetic energy becomes local. Exchange also becomes local in this limit. Numerical data on the correlation energy of atoms support the conjecture that this is also true for correlation, but much less relevant to atoms. We illustrate how expansions around a large particle number are equivalent to local density approximations and their strong relevance to density functional approximations. Analyzing highly accurate atomic correlation energies, we show that EC → -AC ZlnZ + BCZ as Z → ∞, where Z is the atomic number, AC is known, and we estimate BC to be about 37 mhartree. The local density approximation yields AC exactly, but a very incorrect value for BC, showing that the local approximation is less relevant for the correlation alone. This limit is a benchmark for the non-empirical construction of density functional approximations. We conjecture that, beyond atoms, the leading correction to the local density approximation in the large-Z limit generally takes this form, but with BC a functional of the TF density for the system. The implications for the construction of approximate density functionals are discussed. PMID:27497544

  19. Locality of correlation in density functional theory

    NASA Astrophysics Data System (ADS)

    Burke, Kieron; Cancio, Antonio; Gould, Tim; Pittalis, Stefano

    2016-08-01

    The Hohenberg-Kohn density functional was long ago shown to reduce to the Thomas-Fermi (TF) approximation in the non-relativistic semiclassical (or large-Z) limit for all matter, i.e., the kinetic energy becomes local. Exchange also becomes local in this limit. Numerical data on the correlation energy of atoms support the conjecture that this is also true for correlation, but much less relevant to atoms. We illustrate how expansions around a large particle number are equivalent to local density approximations and their strong relevance to density functional approximations. Analyzing highly accurate atomic correlation energies, we show that EC → -AC ZlnZ + BCZ as Z → ∞, where Z is the atomic number, AC is known, and we estimate BC to be about 37 mhartree. The local density approximation yields AC exactly, but a very incorrect value for BC, showing that the local approximation is less relevant for the correlation alone. This limit is a benchmark for the non-empirical construction of density functional approximations. We conjecture that, beyond atoms, the leading correction to the local density approximation in the large-Z limit generally takes this form, but with BC a functional of the TF density for the system. The implications for the construction of approximate density functionals are discussed.

  20. Locality of correlation in density functional theory.

    PubMed

    Burke, Kieron; Cancio, Antonio; Gould, Tim; Pittalis, Stefano

    2016-08-01

    The Hohenberg-Kohn density functional was long ago shown to reduce to the Thomas-Fermi (TF) approximation in the non-relativistic semiclassical (or large-Z) limit for all matter, i.e., the kinetic energy becomes local. Exchange also becomes local in this limit. Numerical data on the correlation energy of atoms support the conjecture that this is also true for correlation, but much less relevant to atoms. We illustrate how expansions around a large particle number are equivalent to local density approximations and their strong relevance to density functional approximations. Analyzing highly accurate atomic correlation energies, we show that EC → -AC ZlnZ + BCZ as Z → ∞, where Z is the atomic number, AC is known, and we estimate BC to be about 37 mhartree. The local density approximation yields AC exactly, but a very incorrect value for BC, showing that the local approximation is less relevant for the correlation alone. This limit is a benchmark for the non-empirical construction of density functional approximations. We conjecture that, beyond atoms, the leading correction to the local density approximation in the large-Z limit generally takes this form, but with BC a functional of the TF density for the system. The implications for the construction of approximate density functionals are discussed.

  1. Correlation Functions Aid Analyses Of Spectra

    NASA Technical Reports Server (NTRS)

    Beer, Reinhard; Norton, Robert H., Jr.

    1989-01-01

    New uses found for correlation functions in analyses of spectra. In approach combining elements of both pattern-recognition and traditional spectral-analysis techniques, spectral lines identified in data appear useless at first glance because they are dominated by noise. New approach particularly useful in measurement of concentrations of rare species of molecules in atmosphere.

  2. Correlated Strength in the Nuclear Spectral Function

    SciTech Connect

    D. Rohe; C. S. Armstrong; R. Asaturyan; O. K. Baker; S. Bueltmann; C. Carasco; D. Day; R. Ent; H. C. Fenker; K. Garrow; A. Gasparian; P. Gueye; M. Hauger; A. Honegger; J. Jourdan; C. E. Keppel; G. Kubon; R. Lindgren; A. Lung; D. J. Mack; J. H. Mitchell; H. Mkrtchyan; D. Mocelj; K. Normand; T. Petitjean; O. Rondon; E. Segbefia; I. Sick; S. Stepanyan; L. Tang; F. Tiefenbacher; W. F. Vulcan; G. Warren; S. A. Wood; L. Yuan; M. Zeier; H. Zhu; B. Zihlmann

    2004-10-01

    We have carried out an (e,ep) experiment at high momentum transfer and in parallel kinematics to measure the strength of the nuclear spectral function S(k,E) at high nucleon momenta k and large removal energies E. This strength is related to the presence of short-range and tensor correlations, and was known hitherto only indirectly and with considerable uncertainty from the lack of strength in the independent-particle region. This experiment locates by direct measurement the correlated strength predicted by theory.

  3. Correlates of functional capacity among centenarians.

    PubMed

    Martin, Peter; MacDonald, Maurice; Margrett, Jennifer; Siegler, Ilene; Poon, Leonard W; Jazwinski, S M; Green, R C; Gearing, M; Markesbery, W R; Woodard, J L; Johnson, M A; Tenover, J S; Rodgers, W L; Hausman, D B; Rott, C; Davey, A; Arnold, J

    2013-04-01

    This study investigated correlates of functional capacity among participants of the Georgia Centenarian Study. Six domains (demographics and health, positive and negative affect, personality, social and economic support, life events and coping, distal influences) were related to functional capacity for 234 centenarians and near centenarians (i.e., 98 years and older). Data were provided by proxy informants. Domain-specific multiple regression analyses suggested that younger centenarians, those living in the community and rated to be in better health were more likely to have higher functional capacity scores. Higher scores in positive affect, conscientiousness, social provisions, religious coping, and engaged lifestyle were also associated with higher levels of functional capacity. The results suggest that functional capacity levels continue to be associated with age after 100 years of life and that positive affect levels and past lifestyle activities as reported by proxies are salient factors of adaptation in very late life.

  4. Multiple soft limits of cosmological correlation functions

    SciTech Connect

    Joyce, Austin; Khoury, Justin; Simonović, Marko E-mail: jkhoury@sas.upenn.edu

    2015-01-01

    We derive novel identities satisfied by inflationary correlation functions in the limit where two external momenta are taken to be small. We derive these statements in two ways: using background-wave arguments and as Ward identities following from the fixed-time path integral. Interestingly, these identities allow us to constrain some of the O(q{sup 2}) components of the soft limit, in contrast to their single-soft analogues. We provide several nontrivial checks of our identities both in the context of resonant non-Gaussianities and in small sound speed models. Additionally, we extend the relation at lowest order in external momenta to arbitrarily many soft legs, and comment on the many-soft extension at higher orders in the soft momentum. Finally, we consider how higher soft limits lead to identities satisfied by correlation functions in large-scale structure.

  5. Redshift distortions of galaxy correlation functions

    NASA Technical Reports Server (NTRS)

    Fry, J. N.; Gaztanaga, Enrique

    1994-01-01

    To examine how peculiar velocities can affect the two-, three-, and four-point redshift correlation functions, we evaluate volume-average correlations for configurations that emphasize and minimize redshift distortions for four different volume-limited samples from each of the CfA, SSRS, and IRAS redshift catalogs. We present the results as the correlation length r(sub 0) and power index gamma of the two-point correlations, bar-xi(sub 0) = (r(sub 0)/r)(exp gamma), and as the hierarchical amplitudes of the three- and four-point functions, S(sub 3) = bar-xi(sub 3)/bar-xi(exp 2)(sub 2) and S(sub 4) = bar-xi(sub 4)/bar-xi(exp 3)(sub 2). We find a characteristic distortion for bar-xi(sub 2), the slope gamma is flatter and the correlation length is larger in redshift space than in real space; that is, redshift distortions 'move' correlations from small to large scales. At the largest scales (up to 12 Mpc), the extra power in the redshift distribution is compatible with Omega(exp 4/7)/b approximately equal to 1. We estimate Omega(exp 4/7)/b to be 0.53 +/- 0.15, 1.10 +/- 0.16, and 0.84 +/- 0.45 for the CfA, SSRS, and IRAS catalogs. Higher order correlations bar-xi(sub 3) and bar-xi(sub 4) suffer similar redshift distortions but in such a way that, within the accuracy of our ananlysis, the normalized amplitudes S(sub 3) and S(sub 4) are insensitive to this effect. The hierarchical amplitudes S(sub 3) and S(sub 4) are constant as a function of scale between 1 and 12 Mpc and have similar values in all samples and catalogs, S(sub 3) approximately equal to 2 and S(sub 4) approximately equal to 6, despite the fact that bar-xi(sub 2), bar-xi(sub 3), and bar-xi(sub 4) differ from one sample to another by large factors (up to a factor of 4 in bar-xi(sub 2), 8 for bar-xi(sub 3), and 12 for bar-xi(sub 4)). The agreement between the independent estimations of S(sub 3) and S(sub 4) is remarkable given the different criteria in the selection of galaxies and also the difference in the

  6. Correlation functions for describing and reconstructing soil microstructure: the use of directional correlation functions

    NASA Astrophysics Data System (ADS)

    Karsanina, Marina; Gerke, Kirill; Skvortsova, Elena; Mallants, Dirk

    2015-04-01

    Structural features of porous materials define the majority of its physical properties, including water infiltration and redistribution, multi-phase flow (e.g. simultaneous water/air flow, gas exchange between biologically active soil root zone and atmosphere, etc.) and solute transport. To characterize soil microstructure, conventional soil science uses such metrics as pore size and grain-size distributions and thin section-derived morphological indicators. However, these descriptors provide only limited amount of information about the complex arrangement of soil structure and have limited capability to reconstruct structural features or predict physical properties. We introduce three different spatial correlation functions as a comprehensive tool to characterize soil microstructure: (i) two-point probability functions, (ii) linear functions, and (iii) two-point cluster functions. This novel approach was tested on thin-sections (2.21×2.21 cm2) representing eight soils with different pore space configurations. The two-point probability and linear correlation functions were subsequently used as a part of simulated annealing optimization procedures to reconstruct soil structure. Comparison of original and reconstructed images was based on morphological characteristics, cluster correlation functions, total number of pores and pore-size distribution. Results showed excellent agreement for soils with isolated pores, but relatively poor correspondence for soils exhibiting dual-porosity (i.e. superpositions of pores and microcracks). Insufficient information content in the correlation function sets used for reconstruction may have contributed to the observed discrepancies. Improved reconstructions may be obtained by adding cluster and other correlation functions into reconstruction sets. Correlation functions and the associated stochastic reconstruction algorithms introduced here are universally applicable in soil science, including for soil classification, pore

  7. Correlation functions in conformal invariant stochastic processes

    NASA Astrophysics Data System (ADS)

    Alcaraz, Francisco C.; Rittenberg, Vladimir

    2015-11-01

    We consider the problem of correlation functions in the stationary states of one-dimensional stochastic models having conformal invariance. If one considers the space dependence of the correlators, the novel aspect is that although one considers systems with periodic boundary conditions, the observables are described by boundary operators. From our experience with equilibrium problems one would have expected bulk operators. Boundary operators have correlators having critical exponents being half of those of bulk operators. If one studies the space-time dependence of the two-point function, one has to consider one boundary and one bulk operators. The Raise and Peel model has conformal invariance as can be shown in the spin 1/2 basis of the Hamiltonian which gives the time evolution of the system. This is an XXZ quantum chain with twisted boundary condition and local interactions. This Hamiltonian is integrable and the spectrum is known in the finite-size scaling limit. In the stochastic base in which the process is defined, the Hamiltonian is not local anymore. The mapping into an SOS model, helps to define new local operators. As a byproduct some new properties of the SOS model are conjectured. The predictions of conformal invariance are discussed in the new framework and compared with Monte Carlo simulations.

  8. Correlation functions for glass-forming systems

    PubMed

    Jacobs

    2000-07-01

    We present a simple, linear, partial-differential equation for the density-density correlation function in a glass-forming system. The equation is written down on the basis of fundamental and general considerations of linearity, symmetry, stability, thermodynamic irreversibility and consistency with the equation of continuity (i.e. , conservation of matter). The dynamical properties of the solutions show a change in behavior characteristic of the liquid-glass transition as a function of one of the parameters (temperature). The equation can be shown to lead to the simplest mode-coupling theory of glasses and provides a partial justification of this simplest theory. It provides also a method for calculating the space dependence of the correlation functions not available otherwise. The results suggest certain differences in behavior between glassy solids and glass-forming liquids which may be accessible to experiment. A brief discussion is presented of how the method can be applied to other systems such as sandpiles and vortex glasses in type II superconductors. PMID:11088609

  9. Sum rule of the correlation function

    SciTech Connect

    Maj, Radoslaw; Mrowczynski, Stanislaw

    2005-04-01

    We discuss a sum rule satisfied by the correlation function of two particles with small relative momenta. The sum rule, which results from the completeness condition of the quantum states of two particles, is derived and checked to see how it works in practice. The sum rule is shown to be trivially satisfied by free particle pairs. We then analyze three different systems of interacting particles: neutron and proton pairs in the s-wave approximation, the so-called hard spheres with phase shifts taken into account up to l=4, and finally, the Coulomb system of two charged particles.

  10. Meson's correlation functions in a nuclear medium

    NASA Astrophysics Data System (ADS)

    Park, Chanyong

    2016-09-01

    We investigate meson's spectrum, decay constant and form factor in a nuclear medium through holographic two- and three-point correlation functions. To describe a nuclear medium composed of protons and neutrons, we consider a hard wall model on the thermal charged AdS geometry and show that due to the isospin interaction with a nuclear medium, there exist splittings of the meson's spectrum, decay constant and form factor relying on the isospin charge. In addition, we show that the ρ-meson's form factor describing an interaction with pseudoscalar fluctuation decreases when the nuclear density increases, while the interaction with a longitudinal part of an axial vector meson increases.

  11. Detecting correlations among functional-sequence motifs

    NASA Astrophysics Data System (ADS)

    Pirino, Davide; Rigosa, Jacopo; Ledda, Alice; Ferretti, Luca

    2012-06-01

    Sequence motifs are words of nucleotides in DNA with biological functions, e.g., gene regulation. Identification of such words proceeds through rejection of Markov models on the expected motif frequency along the genome. Additional biological information can be extracted from the correlation structure among patterns of motif occurrences. In this paper a log-linear multivariate intensity Poisson model is estimated via expectation maximization on a set of motifs along the genome of E. coli K12. The proposed approach allows for excitatory as well as inhibitory interactions among motifs and between motifs and other genomic features like gene occurrences. Our findings confirm previous stylized facts about such types of interactions and shed new light on genome-maintenance functions of some particular motifs. We expect these methods to be applicable to a wider set of genomic features.

  12. Correlation functions in ω-deformed supergravity

    NASA Astrophysics Data System (ADS)

    Borghese, A.; Pang, Y.; Pope, C. N.; Sezgin, E.

    2015-02-01

    Gauged supergravity in four dimensions is now known to admit a deformation characterized by a real parameter ω lying in the interval 0 ≤ ω ≤ π/8. We analyse the fluctuations about its anti-de Sitter vacuum, and show that the full supersymmetry can be maintained by the boundary conditions only for ω = 0. For non-vanishing ω, and requiring that there be no propagating spin s > 1 fields on the boundary, we show that is the maximum degree of supersymmetry that can be preserved by the boundary conditions. We then construct in detail the consistent truncation of the theory to give ω-deformed SO(6) gauged supergravity, again with ω in the range 0 ≤ ω ≤ π/8. We show that this theory admits fully supersymmetry-preserving boundary conditions not only for ω = 0, but also for ω = π/8. These two theories are related by a U(1) electric-magnetic duality. We observe that the only three-point functions that depend on ω involve the coupling of an SO(6) gauge field with the U(1) gauge field and a scalar or pseudo-scalar field. We compute these correlation functions and compare them with those of the undeformed theory. We find that the correlation functions in the ω= π/8 theory holographically correspond to amplitudes in the U( N) k ×U( N)- k ABJM model in which the U(1) Noether current is replaced by a dynamical U(1) gauge field. We also show that the ω-deformed gauged supergravities can be obtained via consistent reductions from the eleven-dimensional or ten-dimensional type IIA supergravities.

  13. Structure–function correlations in tyrosinases

    PubMed Central

    Kanteev, Margarita; Goldfeder, Mor; Fishman, Ayelet

    2015-01-01

    Tyrosinases are metalloenzymes belonging to the type-3 copper protein family which contain two copper ions in the active site. They are found in various prokaryotes as well as in plants, fungi, arthropods, and mammals and are responsible for pigmentation, wound healing, radiation protection, and primary immune response. Tyrosinases perform two sequential enzymatic reactions: hydroxylation of monophenols and oxidation of diphenols to form quinones which polymerize spontaneously to melanin. Two other members of this family are catechol oxidases, which are prevalent mainly in plants and perform only the second oxidation step, and hemocyanins, which lack enzymatic activity and are oxygen carriers. In the last decade, several structures of plant and bacterial tyrosinases were determined, some with substrates or inhibitors, highlighting features and residues which are important for copper uptake and catalysis. This review summarizes the updated information on structure–function correlations in tyrosinases along with comparison to other type-3 copper proteins. PMID:26104241

  14. Really computing nonperturbative real time correlation functions

    NASA Astrophysics Data System (ADS)

    Bödeker, Dietrich; McLerran, Larry; Smilga, Andrei

    1995-10-01

    It has been argued by Grigoriev and Rubakov that one can simulate real time processes involving baryon number nonconservation at high temperature using real time evolution of classical equations, and summing over initial conditions with a classical thermal weight. It is known that such a naive algorithm is plagued by ultraviolet divergences. In quantum theory the divergences are regularized, but the corresponding graphs involve the contributions from the hard momentum region and also the new scale ~gT comes into play. We propose a modified algorithm which involves solving the classical equations of motion for the effective hard thermal loop Hamiltonian with an ultraviolet cutoff μ>>gT and integrating over initial conditions with a proper thermal weight. Such an algorithm should provide a determination of the infrared behavior of the real time correlation function T determining the baryon violation rate. Hopefully, the results obtained in this modified algorithm will be cutoff independent.

  15. Modeling the three-point correlation function

    SciTech Connect

    Marin, Felipe; Wechsler, Risa; Frieman, Joshua A.; Nichol, Robert; /Portsmouth U., ICG

    2007-04-01

    We present new theoretical predictions for the galaxy three-point correlation function (3PCF) using high-resolution dissipationless cosmological simulations of a flat {Lambda}CDM Universe which resolve galaxy-size halos and subhalos. We create realistic mock galaxy catalogs by assigning luminosities and colors to dark matter halos and subhalos, and we measure the reduced 3PCF as a function of luminosity and color in both real and redshift space. As galaxy luminosity and color are varied, we find small differences in the amplitude and shape dependence of the reduced 3PCF, at a level qualitatively consistent with recent measurements from the SDSS and 2dFGRS. We confirm that discrepancies between previous 3PCF measurements can be explained in part by differences in binning choices. We explore the degree to which a simple local bias model can fit the simulated 3PCF. The agreement between the model predictions and galaxy 3PCF measurements lends further credence to the straightforward association of galaxies with CDM halos and subhalos.

  16. Muscle MRI Findings in Childhood/Adult Onset Pompe Disease Correlate with Muscle Function

    PubMed Central

    Figueroa-Bonaparte, Sebastián; Segovia, Sonia; Llauger, Jaume; Belmonte, Izaskun; Pedrosa, Irene; Alejaldre, Aída; Mayos, Mercè; Suárez-Cuartín, Guillermo; Gallardo, Eduard; Illa, Isabel; Díaz-Manera, Jordi

    2016-01-01

    Objectives Enzyme replacement therapy has shown to be effective for childhood/adult onset Pompe disease (AOPD). The discovery of biomarkers useful for monitoring disease progression is one of the priority research topics in Pompe disease. Muscle MRI could be one possible test but the correlation between muscle MRI and muscle strength and function has been only partially addressed so far. Methods We studied 34 AOPD patients using functional scales (Manual Research Council scale, hand held myometry, 6 minutes walking test, timed to up and go test, time to climb up and down 4 steps, time to walk 10 meters and Motor Function Measure 20 Scale), respiratory tests (Forced Vital Capacity seated and lying, Maximun Inspiratory Pressure and Maximum Expiratory Pressure), daily live activities scales (Activlim) and quality of life scales (Short Form-36 and Individualized Neuromuscular Quality of Life questionnaire). We performed a whole body muscle MRI using T1w and 3-point Dixon imaging centered on thighs and lower trunk region. Results T1w whole body muscle MRI showed a homogeneous pattern of muscle involvement that could also be found in pre-symptomatic individuals. We found a strong correlation between muscle strength, muscle functional scales and the degree of muscle fatty replacement in muscle MRI analyzed using T1w and 3-point Dixon imaging studies. Moreover, muscle MRI detected mild degree of fatty replacement in paraspinal muscles in pre-symptomatic patients. Conclusion Based on our findings, we consider that muscle MRI correlates with muscle function in patients with AOPD and could be useful for diagnosis and follow-up in pre-symptomatic and symptomatic patients under treatment. Take home message Muscle MRI correlates with muscle function in patients with AOPD and could be useful to follow-up patients in daily clinic. PMID:27711114

  17. Functional correlates of compensatory renal hypertrophy

    PubMed Central

    Hayslett, John P.; Kashgarian, Michael; Epstein, Franklin H.

    1968-01-01

    The functional correlates of compensatory renal hypertrophy were studied by micropuncture techniques in rats after the removal of one kidney. The glomerular filtration rate increased to roughly the same extent in the whole kidney and in individual surface nephrons, resulting in a greater amount of sodium delivered to the tubules for reabsorption. The fraction of the glomerular filtrate absorbed [determined from the tubular fluid-to-plasma ratio (TF/P) for inulin] remained unchanged in both proximal and distal portions of the nephron. The way in which the tubules adjusted to nephrectomy, however, differed in proximal and distal convolutions. After nephrectomy, the reabsorptive half-time, indicated by the rate of shrinkage of a droplet of saline in a tubule blocked with oil, was unchanged in the proximal tubule but significantly shortened in the distal convoluted tubule. Nevertheless, steady-state concentrations of sodium in an isolated raffinose droplet in the distal as well as the proximal tubule were the same in hypertrophied kidneys as in control animals. Possible reasons for this paradox are discussed. Transit time through the proximal tubules was unchanged by compensatory hypertrophy, but transit time to the distal tubules was prolonged. Changes in renal structure resulting from compensatory hypertrophy were also found to differ in the proximal and the distal protions of the nephron. Although tubular volume increased in both protions, the volume increase was twice as great in the proximal tubule as in the distal. In order, therefore, for net reabsorption to increase in the distal tubule, where the changes in tubular volume are not so marked, an increase in reabsorptive capacity per unit length of tubule is required. This increase is reflected in the shortening of reabsorptive half-time in the oil-blocked distal tubule that was actually observed. PMID:5641618

  18. A cumulant functional for static and dynamic correlation

    NASA Astrophysics Data System (ADS)

    Hollett, Joshua W.; Hosseini, Hessam; Menzies, Cameron

    2016-08-01

    A functional for the cumulant energy is introduced. The functional is composed of a pair-correction and static and dynamic correlation energy components. The pair-correction and static correlation energies are functionals of the natural orbitals and the occupancy transferred between near-degenerate orbital pairs, rather than the orbital occupancies themselves. The dynamic correlation energy is a functional of the statically correlated on-top two-electron density. The on-top density functional used in this study is the well-known Colle-Salvetti functional. Using the cc-pVTZ basis set, the functional effectively models the bond dissociation of H2, LiH, and N2 with equilibrium bond lengths and dissociation energies comparable to those provided by multireference second-order perturbation theory. The performance of the cumulant functional is less impressive for HF and F2, mainly due to an underestimation of the dynamic correlation energy by the Colle-Salvetti functional.

  19. Correlation functions of an autonomous stochastic system with time delays

    NASA Astrophysics Data System (ADS)

    Zhu, Ping; Mei, Dong Cheng

    2014-03-01

    The auto-correlation function and the cross-correlation function of an autonomous stochastic system with time delays are investigated. We obtain the distribution curves of the auto-correlation function Cx(s) and Cy(s), and the cross-correlation function C(s) and C(s) of the stochastic dynamic variables by the stochastic simulation method. The delay time changes prominently the behaviors of the dynamical variables of an autonomous stochastic system, which makes the auto-correlation and the cross-correlation of the autonomous stochastic system alternate oscillate periodically from positive to negative, or from negative to positive, decrease gradually, and finally tends to zero with the decay time. The delay time and the noise strength have important impacts for the auto-correlation and the cross-correlation of the autonomous stochastic delay system. The delay time enhances the auto-correlation and the cross-correlation, on the contrary, the noise strength lowers the auto-correlation and the cross-correlation. Under the time delay, by comparison we further show differences of the auto-correlation and the cross-correlation between the dynamical variables x and y.

  20. Correlation functions of Sp(2 n) invariant higher-spin systems

    NASA Astrophysics Data System (ADS)

    Skvortsov, Evgeny; Sorokin, Dmitri; Tsulaia, Mirian

    2016-07-01

    We study the general structure of correlation functions in an Sp(2 n)-invariant formulation of systems of an infinite number of higher-spin fields. For n = 4 , 8 and 16 these systems comprise the conformal higher-spin fields in space-time dimensions D = 4 , 6 and 10, respectively, while when n = 2, one deals with conventional D = 3 conformal field theories of scalars and spinors. We show that for n > 2 the Sp(2 n) symmetry and current conservation makes the 3-point correlators of two (rank-one or rank-two) conserved currents with a scalar operator be that of free theory. This situation is analogous to the one in conventional conformal field theories, where conservation of higher-spin currents implies that the theories are free.

  1. Spontaneous symmetry breaking in correlated wave functions

    NASA Astrophysics Data System (ADS)

    Kaneko, Ryui; Tocchio, Luca F.; Valenti, Roser; Becca, Federico; Gros, Claudius

    We show that Jastrow-Slater wave functions, in which a density-density Jastrow factor is applied onto an uncorrelated fermionic state, may possess long-range order even when all symmetries are preserved in the wave function. This fact is mainly related to the presence of a sufficiently strong Jastrow term (also including the case of full Gutzwiller projection, suitable for describing spin models). Selected examples are reported, including the spawning of Néel order and dimerization in spin systems, and the stabilization of density and orbital order in itinerant electronic systems

  2. Spontaneous symmetry breaking in correlated wave functions

    NASA Astrophysics Data System (ADS)

    Kaneko, Ryui; Tocchio, Luca F.; Valentí, Roser; Becca, Federico; Gros, Claudius

    2016-03-01

    We show that Jastrow-Slater wave functions, in which a density-density Jastrow factor is applied onto an uncorrelated fermionic state, may possess long-range order even when all symmetries are preserved in the wave function. This fact is mainly related to the presence of a sufficiently strong Jastrow term (also including the case of full Gutzwiller projection, suitable for describing spin models). Selected examples are reported, including the spawning of Néel order and dimerization in spin systems, and the stabilization of charge and orbital order in itinerant electronic systems.

  3. Analysis of spectra using correlation functions

    NASA Technical Reports Server (NTRS)

    Beer, Reinhard; Norton, Robert H.

    1988-01-01

    A novel method is presented for the quantitative analysis of spectra based on the properties of the cross correlation between a real spectrum and either a numerical synthesis or laboratory simulation. A new goodness-of-fit criterion called the heteromorphic coefficient H is proposed that has the property of being zero when a fit is achieved and varying smoothly through zero as the iteration proceeds, providing a powerful tool for automatic or near-automatic analysis. It is also shown that H can be rendered substantially noise-immune, permitting the analysis of very weak spectra well below the apparent noise level and, as a byproduct, providing Doppler shift and radial velocity information with excellent precision. The technique is in regular use in the Atmospheric Trace Molecule Spectroscopy (ATMOS) project and operates in an interactive, realtime computing environment with turn-around times of a few seconds or less.

  4. Generalized -deformed correlation functions as spectral functions of hyperbolic geometry

    NASA Astrophysics Data System (ADS)

    Bonora, L.; Bytsenko, A. A.; Guimarães, M. E. X.

    2014-08-01

    We analyze the role of vertex operator algebra and 2d amplitudes from the point of view of the representation theory of infinite-dimensional Lie algebras, MacMahon and Ruelle functions. By definition p-dimensional MacMahon function, with , is the generating function of p-dimensional partitions of integers. These functions can be represented as amplitudes of a two-dimensional c = 1 CFT, and, as such, they can be generalized to . With some abuse of language we call the latter amplitudes generalized MacMahon functions. In this paper we show that generalized p-dimensional MacMahon functions can be rewritten in terms of Ruelle spectral functions, whose spectrum is encoded in the Patterson-Selberg function of three-dimensional hyperbolic geometry.

  5. Landau gauge Yang-Mills correlation functions

    NASA Astrophysics Data System (ADS)

    Cyrol, Anton K.; Fister, Leonard; Mitter, Mario; Pawlowski, Jan M.; Strodthoff, Nils

    2016-09-01

    We investigate Landau gauge S U (3 ) Yang-Mills theory in a systematic vertex expansion scheme for the effective action with the functional renormalization group. Particular focus is put on the dynamical creation of the gluon mass gap at nonperturbative momenta and the consistent treatment of quadratic divergences. The nonperturbative ghost and transverse gluon propagators as well as the momentum-dependent ghost-gluon, three-gluon and four-gluon vertices are calculated self-consistently with the classical action as the only input. The apparent convergence of the expansion scheme is discussed and within the errors, our numerical results are in quantitative agreement with available lattice results.

  6. A Representation for Fermionic Correlation Functions

    NASA Astrophysics Data System (ADS)

    Feldman, Joel; Knörrer, Horst; Trubowitz, Eugene

    Let dμS(a) be a Gaussian measure on the finitely generated Grassmann algebra A. Given an even W(a)∈A, we construct an operator R on A such that for all f(a)∈A. This representation of the Schwinger functional iteratively builds up Feynman graphs by successively appending lines farther and farther from f. It allows the Pauli exclusion principle to be implemented quantitatively by a simple application of Gram's inequality.

  7. Hierarchy of equations of multiple-time correlation functions

    SciTech Connect

    Alonso, Daniel; Vega, Ines de

    2007-05-15

    In this paper we derive the evolution equations for non-Markovian multiple-time correlation functions of an open quantum system without using any approximation. We find that these equations conform an open hierarchy in which N-time correlation functions are dependent on (N+1)-time correlations. This hierarchy of equations is consistently obtained with two different methods: A first one based on Heisenberg equations of system operators, and a second one based on system propagators. The dependency on higher order correlations, and therefore the open hierarchy structure, only disappears in certain particular cases and when some hypothesis or approximations are considered in the equations. In this paper we consider a perturbative approximation and derive the general evolution equation for N-time correlations. This equation turns to depend only on N-time and lower order correlation functions, conforming a closed hierarchy structure that is useful for computational purposes.

  8. 42 CFR 476.86 - Correlation of Title XI functions with Title XVIII functions.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 42 Public Health 4 2011-10-01 2011-10-01 false Correlation of Title XI functions with Title XVIII functions. 476.86 Section 476.86 Public Health CENTERS FOR MEDICARE & MEDICAID SERVICES, DEPARTMENT OF...) Qio Review Functions § 476.86 Correlation of Title XI functions with Title XVIII functions....

  9. Two-point correlation function of cosmic-string loops

    NASA Technical Reports Server (NTRS)

    Bennett, David P.; Bouchet, Francois R.

    1989-01-01

    The two-point correlations of cosmic-string loops are studied with numerical simulations of the evolution of a cosmic-string network in an expanding universe. It is found that the initial positions of loops that are chopped off the network have a correlation function that is quite similar to the highest estimates of the Abell-cluster correlation function, but these correlations are rapidly washed out by the motion of the loops. The implications for the cosmic-string galaxy-formation scenario are briefly discussed.

  10. Correlation functions of one-dimensional Bose-Fermi mixtures

    SciTech Connect

    Frahm, Holger; Palacios, Guillaume

    2005-12-15

    We calculate the asymptotic behavior of correlators as a function of the microscopic parameters for an integrable Bose-Fermi mixture with repulsive interaction in one dimension. For two cases, namely polarized and unpolarized fermions the singularities of the momentum distribution functions are characterized as a function of the coupling constant and the relative density of bosons.

  11. A cumulant functional for static and dynamic correlation.

    PubMed

    Hollett, Joshua W; Hosseini, Hessam; Menzies, Cameron

    2016-08-28

    A functional for the cumulant energy is introduced. The functional is composed of a pair-correction and static and dynamic correlation energy components. The pair-correction and static correlation energies are functionals of the natural orbitals and the occupancy transferred between near-degenerate orbital pairs, rather than the orbital occupancies themselves. The dynamic correlation energy is a functional of the statically correlated on-top two-electron density. The on-top density functional used in this study is the well-known Colle-Salvetti functional. Using the cc-pVTZ basis set, the functional effectively models the bond dissociation of H2, LiH, and N2 with equilibrium bond lengths and dissociation energies comparable to those provided by multireference second-order perturbation theory. The performance of the cumulant functional is less impressive for HF and F2, mainly due to an underestimation of the dynamic correlation energy by the Colle-Salvetti functional. PMID:27586903

  12. ZeldovichRecon: Halo correlation function using the Zeldovich approximation

    NASA Astrophysics Data System (ADS)

    White, Martin

    2015-12-01

    ZeldovichRecon computes the halo correlation function using the Zeldovich approximation. It includes 3 variants:zelrecon.cpp, which computes the various contributions to the correlation function; zelrecon_ctypes.cpp, which is designed to be called from Python using the ctypes library; and a version which implements the "ZEFT" formalism of "A Lagrangian effective field theory" [arxiv:1506.05264] including the alpha term described in that paper.

  13. Characterization of maximally random jammed sphere packings: Voronoi correlation functions

    NASA Astrophysics Data System (ADS)

    Klatt, Michael A.; Torquato, Salvatore

    2014-11-01

    We characterize the structure of maximally random jammed (MRJ) sphere packings by computing the Minkowski functionals (volume, surface area, and integrated mean curvature) of their associated Voronoi cells. The probability distribution functions of these functionals of Voronoi cells in MRJ sphere packings are qualitatively similar to those of an equilibrium hard-sphere liquid and partly even to the uncorrelated Poisson point process, implying that such local statistics are relatively structurally insensitive. This is not surprising because the Minkowski functionals of a single Voronoi cell incorporate only local information and are insensitive to global structural information. To improve upon this, we introduce descriptors that incorporate nonlocal information via the correlation functions of the Minkowski functionals of two cells at a given distance as well as certain cell-cell probability density functions. We evaluate these higher-order functions for our MRJ packings as well as equilibrium hard spheres and the Poisson point process. It is shown that these Minkowski correlation and density functions contain visibly more information than the corresponding standard pair-correlation functions. We find strong anticorrelations in the Voronoi volumes for the hyperuniform MRJ packings, consistent with previous findings for other pair correlations [A. Donev et al., Phys. Rev. Lett. 95, 090604 (2005), 10.1103/PhysRevLett.95.090604], indicating that large-scale volume fluctuations are suppressed by accompanying large Voronoi cells with small cells, and vice versa. In contrast to the aforementioned local Voronoi statistics, the correlation functions of the Voronoi cells qualitatively distinguish the structure of MRJ sphere packings (prototypical glasses) from that of not only the Poisson point process but also the correlated equilibrium hard-sphere liquids. Moreover, while we did not find any perfect icosahedra (the locally densest possible structure in which a central

  14. Structure of correlation functions in single-field inflation

    SciTech Connect

    Shandera, Sarah

    2009-06-15

    Many statistics available to constrain non-Gaussianity from inflation are simplest to use under the assumption that the curvature correlation functions are hierarchical. That is, if the n-point function is proportional to the (n-1) power of the two-point function amplitude and the fluctuations are small, the probability distribution can be approximated by expanding around a Gaussian in moments. However, single-field inflation with higher derivative interactions has a second small number, the sound speed, that appears in the problem when non-Gaussianity is significant and changes the scaling of correlation functions. Here we examine the structure of correlation functions in the most general single scalar field action with higher derivatives, formalizing the conditions under which the fluctuations can be expanded around a Gaussian distribution. We comment about the special case of the Dirac-Born-Infeld action.

  15. Efficient quantum algorithm for computing n-time correlation functions.

    PubMed

    Pedernales, J S; Di Candia, R; Egusquiza, I L; Casanova, J; Solano, E

    2014-07-11

    We propose a method for computing n-time correlation functions of arbitrary spinorial, fermionic, and bosonic operators, consisting of an efficient quantum algorithm that encodes these correlations in an initially added ancillary qubit for probe and control tasks. For spinorial and fermionic systems, the reconstruction of arbitrary n-time correlation functions requires the measurement of two ancilla observables, while for bosonic variables time derivatives of the same observables are needed. Finally, we provide examples applicable to different quantum platforms in the frame of the linear response theory.

  16. A Kinematically Consistent Two-Point Correlation Function

    NASA Technical Reports Server (NTRS)

    Ristorcelli, J. R.

    1998-01-01

    A simple kinematically consistent expression for the longitudinal two-point correlation function related to both the integral length scale and the Taylor microscale is obtained. On the inner scale, in a region of width inversely proportional to the turbulent Reynolds number, the function has the appropriate curvature at the origin. The expression for two-point correlation is related to the nonlinear cascade rate, or dissipation epsilon, a quantity that is carried as part of a typical single-point turbulence closure simulation. Constructing an expression for the two-point correlation whose curvature at the origin is the Taylor microscale incorporates one of the fundamental quantities characterizing turbulence, epsilon, into a model for the two-point correlation function. The integral of the function also gives, as is required, an outer integral length scale of the turbulence independent of viscosity. The proposed expression is obtained by kinematic arguments; the intention is to produce a practically applicable expression in terms of simple elementary functions that allow an analytical evaluation, by asymptotic methods, of diverse functionals relevant to single-point turbulence closures. Using the expression devised an example of the asymptotic method by which functionals of the two-point correlation can be evaluated is given.

  17. Dynamic BOLD functional connectivity in humans and its electrophysiological correlates.

    PubMed

    Tagliazucchi, Enzo; von Wegner, Frederic; Morzelewski, Astrid; Brodbeck, Verena; Laufs, Helmut

    2012-01-01

    Neural oscillations subserve many human perceptual and cognitive operations. Accordingly, brain functional connectivity is not static in time, but fluctuates dynamically following the synchronization and desynchronization of neural populations. This dynamic functional connectivity has recently been demonstrated in spontaneous fluctuations of the Blood Oxygen Level-Dependent (BOLD) signal, measured with functional Magnetic Resonance Imaging (fMRI). We analyzed temporal fluctuations in BOLD connectivity and their electrophysiological correlates, by means of long (≈50 min) joint electroencephalographic (EEG) and fMRI recordings obtained from two populations: 15 awake subjects and 13 subjects undergoing vigilance transitions. We identified positive and negative correlations between EEG spectral power (extracted from electrodes covering different scalp regions) and fMRI BOLD connectivity in a network of 90 cortical and subcortical regions (with millimeter spatial resolution). In particular, increased alpha (8-12 Hz) and beta (15-30 Hz) power were related to decreased functional connectivity, whereas gamma (30-60 Hz) power correlated positively with BOLD connectivity between specific brain regions. These patterns were altered for subjects undergoing vigilance changes, with slower oscillations being correlated with functional connectivity increases. Dynamic BOLD functional connectivity was reflected in the fluctuations of graph theoretical indices of network structure, with changes in frontal and central alpha power correlating with average path length. Our results strongly suggest that fluctuations of BOLD functional connectivity have a neurophysiological origin. Positive correlations with gamma can be interpreted as facilitating increased BOLD connectivity needed to integrate brain regions for cognitive performance. Negative correlations with alpha suggest a temporary functional weakening of local and long-range connectivity, associated with an idling state. PMID

  18. Design of exchange-correlation functionals through the correlation factor approach

    SciTech Connect

    Pavlíková Přecechtělová, Jana E-mail: Matthias.Ernzerhof@UMontreal.ca

    2015-10-14

    The correlation factor model is developed in which the spherically averaged exchange-correlation hole of Kohn-Sham theory is factorized into an exchange hole model and a correlation factor. The exchange hole model reproduces the exact exchange energy per particle. The correlation factor is constructed in such a manner that the exchange-correlation energy correctly reduces to exact exchange in the high density and rapidly varying limits. Four different correlation factor models are presented which satisfy varying sets of physical constraints. Three models are free from empirical adjustments to experimental data, while one correlation factor model draws on one empirical parameter. The correlation factor models are derived in detail and the resulting exchange-correlation holes are analyzed. Furthermore, the exchange-correlation energies obtained from the correlation factor models are employed to calculate total energies, atomization energies, and barrier heights. It is shown that accurate, non-empirical functionals can be constructed building on exact exchange. Avenues for further improvements are outlined as well.

  19. Universal Spatial Correlation Functions for Describing and Reconstructing Soil Microstructure

    PubMed Central

    Skvortsova, Elena B.; Mallants, Dirk

    2015-01-01

    Structural features of porous materials such as soil define the majority of its physical properties, including water infiltration and redistribution, multi-phase flow (e.g. simultaneous water/air flow, or gas exchange between biologically active soil root zone and atmosphere) and solute transport. To characterize soil microstructure, conventional soil science uses such metrics as pore size and pore-size distributions and thin section-derived morphological indicators. However, these descriptors provide only limited amount of information about the complex arrangement of soil structure and have limited capability to reconstruct structural features or predict physical properties. We introduce three different spatial correlation functions as a comprehensive tool to characterize soil microstructure: 1) two-point probability functions, 2) linear functions, and 3) two-point cluster functions. This novel approach was tested on thin-sections (2.21×2.21 cm2) representing eight soils with different pore space configurations. The two-point probability and linear correlation functions were subsequently used as a part of simulated annealing optimization procedures to reconstruct soil structure. Comparison of original and reconstructed images was based on morphological characteristics, cluster correlation functions, total number of pores and pore-size distribution. Results showed excellent agreement for soils with isolated pores, but relatively poor correspondence for soils exhibiting dual-porosity features (i.e. superposition of pores and micro-cracks). Insufficient information content in the correlation function sets used for reconstruction may have contributed to the observed discrepancies. Improved reconstructions may be obtained by adding cluster and other correlation functions into reconstruction sets. Correlation functions and the associated stochastic reconstruction algorithms introduced here are universally applicable in soil science, such as for soil classification

  20. Revealing quantum correlation by negativity of the Wigner function

    NASA Astrophysics Data System (ADS)

    Taghiabadi, Razieh; Akhtarshenas, Seyed Javad; Sarbishaei, Mohsen

    2016-05-01

    We analyze two two-mode continuous variable separable states with the same marginal states. We adopt the definition of classicality in the form of well-defined positive Wigner function describing the state and find that although the states possess positive local Wigner functions, they exhibit negative Wigner functions for the global states. Using the negativity of Wigner function as an indicator of nonclassicality, we show that despite these states possess different negativities of the Wigner function, they do not reveal this difference as phase space nonclassicalities such as negativity of the Mandel Q parameter or quadrature squeezing. We then concentrate on quantum correlation of these states and show that quantum discord and local quantum uncertainty, as two well-defined measures of quantum correlation, manifest the difference between negativity of the Wigner functions. The non-Gaussianity of these states is also examined and show that the difference in behavior of their non-Gaussianity is the same as the difference between negativity of their Wigner functions. We also investigate the influence of correlation rank criterion and find that when the states can be produced locally from classical states, the Wigner functions cannot reveal their quantum correlations.

  1. Determination of transfer function of COPE correlation interferometer instrument

    NASA Technical Reports Server (NTRS)

    Twitty, J.; Kindle, E. C.

    1976-01-01

    The comparison of theoretical and instrument response functions and its use as a procedure for determining the transfer function of the COPE correlation interferometer are summarized. Data show qualitative agreement can be obtained when discrepancies between theory and instrument are investigated and instrument components are analyzed in detail. Data were obtained using a set of calibration data and computer algorithms.

  2. Dynamical correlation effects on pair-correlation functions of spin polarized two-dimensional electron gas

    NASA Astrophysics Data System (ADS)

    Kumar, Krishan; Garg, Vinayak; Moudgil, R. K.

    2013-06-01

    We report a theoretical study on the spin-resolved pair-correlation functions gσσ'(r) of a two-dimensional electron gas having arbitrary spin polarization ζ by including the dynamics of exchange-correlations within the dynamical self-consistent mean-field theory of Hasegawa and Shimizu. The calculated g↑↑(r), g↓↓(r) and g↑↓(r) exhibit a nice agreement with the recent quantum Monte Carlo simulation data of Gori-Giorgi et al. However, the agreement for the minority spin correlation function g↓↓(r) decreases with increase in ζ and/or decrease in electron density. Nevertheless, the spin-summed correlation function remains close to the simulation data.

  3. Correlation functions of the integrable spin-s chain

    NASA Astrophysics Data System (ADS)

    Ribeiro, G. A. P.; Klümper, A.

    2016-06-01

    We study the correlation functions of su(2) invariant spin-s chains in the thermodynamic limit. We derive nonlinear integral equations for an auxiliary correlation function ω for any spin s and finite temperature T. For the spin-3/2 chain for arbitrary temperature and zero magnetic field we obtain algebraic expressions for the reduced density matrix of two-sites. In the zero temperature limit, the density matrix elements are evaluated analytically and appear to be given in terms of Riemann’s zeta function values of even and odd arguments. Dedicated to Professor Rodney Baxter on the occasion of his 75th birthday.

  4. Photon-jet correlations and constraints on fragmentation functions

    SciTech Connect

    Belghobsi, Z.; Fontannaz, M.; Guillet, J.-Ph.; Pilon, E.; Werlen, M.; Heinrich, G.

    2009-06-01

    We study the production of a large-p{sub T} photon in association with a jet in proton-proton collisions. We examine the sensitivity of the jet rapidity distribution to the gluon distribution function in the proton. We then assess the sensitivity of various photon+jet correlation observables to the photon fragmentation functions. We argue that RHIC data on photon-jet correlations can be used to constrain the photon fragmentation functions in a region which was barely accessible in LEP experiments.

  5. Correlation function of four spins in the percolation model

    NASA Astrophysics Data System (ADS)

    Dotsenko, Vladimir S.

    2016-10-01

    By using the Coulomb gas technics we calculate the four-spin correlation function in the percolation q → 1 limit of the Potts model. It is known that the four-point functions define the actual fusion rules of a particular model. In this respect, we find that fusion of two spins, of dimension Δσ =5/96, produce a new channel, in the 4-point function, which is due to the operator with dimension Δ = 5 / 8.

  6. A Multiscale Modeling Demonstration Based on the Pair Correlation Function

    SciTech Connect

    Gao, Carrie Y; Nicholson, Don M; Keffer, David; Edwards, Brian J

    2008-01-01

    For systems with interatomic interactions that are well described by pair-wise potentials, the pair correlation function provides a vehicle for passing information from the molecular level to the macroscopic level of description. In this work, we present a complete demonstration of the use of the pair correlation function to simulate a fluid at the molecular and macroscopic levels. At the molecular level, we describe a monatomic fluid using the Ornstein-Zernike integral equation theory closed with the Percus-Yevick approximation. We show that all of the required thermodynamic properties can be evaluated knowing the pair correlation function. At the macroscopic level, we perform a multiscale simulation with macroscopic evolution equations for the mass, momentum, temperature, and pair correlation function, using molecular-level simulation to provide the boundary conditions. We perform a self-consistency check by comparing the pair correlation function that evolved from the multiscale simulation with the one evaluated at the molecular-level; excellent agreement is achieved.

  7. Correlation Function Analysis of Fiber Networks: Implications for Thermal Conductivity

    NASA Technical Reports Server (NTRS)

    Martinez-Garcia, Jorge; Braginsky, Leonid; Shklover, Valery; Lawson, John W.

    2011-01-01

    The heat transport in highly porous fiber structures is investigated. The fibers are supposed to be thin, but long, so that the number of the inter-fiber connections along each fiber is large. We show that the effective conductivity of such structures can be found from the correlation length of the two-point correlation function of the local conductivities. Estimation of the parameters, determining the conductivity, from the 2D images of the structures is analyzed.

  8. Non-Markovian correlation functions for open quantum systems

    NASA Astrophysics Data System (ADS)

    Jin, Jinshuang; Karlewski, Christian; Marthaler, Michael

    2016-08-01

    Beyond the conventional quantum regression theorem, a general formula for non-Markovian correlation functions of arbitrary system operators both in the time- and frequency-domain is given. We approach the problem by transforming the conventional time-non-local master equation into dispersed time-local equations-of-motion. The validity of our approximations is discussed and we find that the non-Markovian terms have to be included for short times. While calculations of the density matrix at short times suffer from the initial value problem, a correlation function has a well defined initial state. The resulting formula for the non-Markovian correlation function has a simple structure and is as convenient in its application as the conventional quantum regression theorem for the Markovian case. For illustrations, we apply our method to investigate the spectrum of the current fluctuations of interacting quantum dots contacted with two electrodes. The corresponding non-Markovian characteristics are demonstrated.

  9. Monte Carlo Studies of Matrix Theory Correlation Functions

    SciTech Connect

    Hanada, Masanori; Nishimura, Jun; Sekino, Yasuhiro; Yoneya, Tamiaki

    2010-04-16

    We study correlation functions in (0+1)-dimensional maximally supersymmetric U(N) gauge theory, which represents the low-energy effective theory of D0-branes. In the large-N limit, the gauge-gravity duality predicts power-law behaviors in the infrared region for the two-point correlation functions of operators corresponding to supergravity modes. We evaluate such correlation functions on the gauge theory side by the Monte Carlo method. Clear power-law behaviors are observed at N=3, and the predicted exponents are confirmed consistently. Our results suggest that the agreement extends to the M-theory regime, where the supergravity analysis in 10 dimensions may not be justified a priori.

  10. N = 4 superconformal Ward identities for correlation functions

    NASA Astrophysics Data System (ADS)

    Belitsky, A. V.; Hohenegger, S.; Korchemsky, G. P.; Sokatchev, E.

    2016-03-01

    In this paper we study the four-point correlation function of the energy-momentum supermultiplet in theories with N = 4 superconformal symmetry in four dimensions. We present a compact form of all component correlators as an invariant of a particular abelian subalgebra of the N = 4 superconformal algebra. This invariant is unique up to a single function of the conformal cross-ratios which is fixed by comparison with the correlation function of the lowest half-BPS scalar operators. Our analysis is independent of the dynamics of a specific theory, in particular it is valid in N = 4 super Yang-Mills theory for any value of the coupling constant. We discuss in great detail a subclass of component correlators, which is a crucial ingredient for the recent study of charge-flow correlations in conformal field theories. We compute the latter explicitly and elucidate the origin of the interesting relations among different types of flow correlations previously observed in arXiv:1309.1424.

  11. Optimization of an exchange-correlation density functional for water.

    PubMed

    Fritz, Michelle; Fernández-Serra, Marivi; Soler, José M

    2016-06-14

    We describe a method, that we call data projection onto parameter space (DPPS), to optimize an energy functional of the electron density, so that it reproduces a dataset of experimental magnitudes. Our scheme, based on Bayes theorem, constrains the optimized functional not to depart unphysically from existing ab initio functionals. The resulting functional maximizes the probability of being the "correct" parameterization of a given functional form, in the sense of Bayes theory. The application of DPPS to water sheds new light on why density functional theory has performed rather poorly for liquid water, on what improvements are needed, and on the intrinsic limitations of the generalized gradient approximation to electron exchange and correlation. Finally, we present tests of our water-optimized functional, that we call vdW-DF-w, showing that it performs very well for a variety of condensed water systems. PMID:27305990

  12. Local Density Approximation Exchange-correlation Free-energy Functional

    NASA Astrophysics Data System (ADS)

    Karasiev, Valentin; Sjostrom, Travis; Dufty, James; Trickey, S. B.

    2014-03-01

    Restricted path integral Monte-Carlo (RPIMC) simulation data for the homogeneous electron gas at finite temperatures are used to fit the exchange-correlation free energy as a function of the density and temperature. Together with a new finite- T spin-polarization interpolation, this provides the local spin density approximation (LSDA) for the exchange-correlation free-energy functional required by finite- T density functional theory. We discuss and compare different methods of fitting to the RPIMC data. The new function reproduces the RPIMC data in the fitting range of Wigner-Seitz radius and temperature, satisfies correct high-density, low- and high- T asymptotic limits and is applicable beyond the range of fitting data. Work supported by U.S. Dept. of Energy, grant DE-SC0002139 and by the DOE Office of Fusion Sciences (FES).

  13. Gutzwiller density functional theory for correlated electron systems

    SciTech Connect

    Ho, K. M.; Schmalian, J.; Wang, C. Z.

    2008-02-04

    We develop a density functional theory (DFT) and formalism for correlated electron systems by taking as reference an interacting electron system that has a ground state wave function which exactly obeys the Gutzwiller approximation for all one-particle operators. The solution of the many-electron problem is mapped onto the self-consistent solution of a set of single-particle Schroedinger equations, analogously to standard DFT-local density approximation calculations.

  14. Correlative Light Electron Microscopy: Connecting Synaptic Structure and Function

    PubMed Central

    Begemann, Isabell; Galic, Milos

    2016-01-01

    Many core paradigms of contemporary neuroscience are based on information obtained by electron or light microscopy. Intriguingly, these two imaging techniques are often viewed as complementary, yet separate entities. Recent technological advancements in microscopy techniques, labeling tools, and fixation or preparation procedures have fueled the development of a series of hybrid approaches that allow correlating functional fluorescence microscopy data and ultrastructural information from electron micrographs from a singular biological event. As correlative light electron microscopy (CLEM) approaches become increasingly accessible, long-standing neurobiological questions regarding structure-function relation are being revisited. In this review, we will survey what developments in electron and light microscopy have spurred the advent of correlative approaches, highlight the most relevant CLEM techniques that are currently available, and discuss its potential and limitations with respect to neuronal and synapse-specific applications.

  15. Correlative Light Electron Microscopy: Connecting Synaptic Structure and Function.

    PubMed

    Begemann, Isabell; Galic, Milos

    2016-01-01

    Many core paradigms of contemporary neuroscience are based on information obtained by electron or light microscopy. Intriguingly, these two imaging techniques are often viewed as complementary, yet separate entities. Recent technological advancements in microscopy techniques, labeling tools, and fixation or preparation procedures have fueled the development of a series of hybrid approaches that allow correlating functional fluorescence microscopy data and ultrastructural information from electron micrographs from a singular biological event. As correlative light electron microscopy (CLEM) approaches become increasingly accessible, long-standing neurobiological questions regarding structure-function relation are being revisited. In this review, we will survey what developments in electron and light microscopy have spurred the advent of correlative approaches, highlight the most relevant CLEM techniques that are currently available, and discuss its potential and limitations with respect to neuronal and synapse-specific applications. PMID:27601992

  16. Correlative Light Electron Microscopy: Connecting Synaptic Structure and Function

    PubMed Central

    Begemann, Isabell; Galic, Milos

    2016-01-01

    Many core paradigms of contemporary neuroscience are based on information obtained by electron or light microscopy. Intriguingly, these two imaging techniques are often viewed as complementary, yet separate entities. Recent technological advancements in microscopy techniques, labeling tools, and fixation or preparation procedures have fueled the development of a series of hybrid approaches that allow correlating functional fluorescence microscopy data and ultrastructural information from electron micrographs from a singular biological event. As correlative light electron microscopy (CLEM) approaches become increasingly accessible, long-standing neurobiological questions regarding structure-function relation are being revisited. In this review, we will survey what developments in electron and light microscopy have spurred the advent of correlative approaches, highlight the most relevant CLEM techniques that are currently available, and discuss its potential and limitations with respect to neuronal and synapse-specific applications. PMID:27601992

  17. Correlative Light Electron Microscopy: Connecting Synaptic Structure and Function.

    PubMed

    Begemann, Isabell; Galic, Milos

    2016-01-01

    Many core paradigms of contemporary neuroscience are based on information obtained by electron or light microscopy. Intriguingly, these two imaging techniques are often viewed as complementary, yet separate entities. Recent technological advancements in microscopy techniques, labeling tools, and fixation or preparation procedures have fueled the development of a series of hybrid approaches that allow correlating functional fluorescence microscopy data and ultrastructural information from electron micrographs from a singular biological event. As correlative light electron microscopy (CLEM) approaches become increasingly accessible, long-standing neurobiological questions regarding structure-function relation are being revisited. In this review, we will survey what developments in electron and light microscopy have spurred the advent of correlative approaches, highlight the most relevant CLEM techniques that are currently available, and discuss its potential and limitations with respect to neuronal and synapse-specific applications.

  18. Decay of fidelity in terms of correlation functions

    NASA Astrophysics Data System (ADS)

    Alicki, R.; Fannes, M.

    2009-01-01

    We consider, within the algebraic formalism, the time dependence of fidelity for qubits encoded in an open physical system. We relate the decay of fidelity to the evolution of correlation functions and, in the particular case of a Markovian dynamics, to the spectral gap of the generator of the semigroup. The results are applicable to the analysis of models of quantum memories.

  19. Upper Limb Assessment in Tetraplegia: Clinical, Functional and Kinematic Correlations

    ERIC Educational Resources Information Center

    Cacho, Enio Walker Azevedo; de Oliveira, Roberta; Ortolan, Rodrigo L.; Varoto, Renato; Cliquet, Alberto

    2011-01-01

    The aim of this study was to correlate clinical and functional evaluations with kinematic variables of upper limp reach-to-grasp movement in patients with tetraplegia. Twenty chronic patients were selected to perform reach-to-grasp kinematic assessment using a target placed at a distance equal to the arm's length. Kinematic variables (hand peak…

  20. Correlations and Functional Connections in a Population of Grid Cells

    PubMed Central

    Roudi, Yasser

    2015-01-01

    We study the statistics of spike trains of simultaneously recorded grid cells in freely behaving rats. We evaluate pairwise correlations between these cells and, using a maximum entropy kinetic pairwise model (kinetic Ising model), study their functional connectivity. Even when we account for the covariations in firing rates due to overlapping fields, both the pairwise correlations and functional connections decay as a function of the shortest distance between the vertices of the spatial firing pattern of pairs of grid cells, i.e. their phase difference. They take positive values between cells with nearby phases and approach zero or negative values for larger phase differences. We find similar results also when, in addition to correlations due to overlapping fields, we account for correlations due to theta oscillations and head directional inputs. The inferred connections between neurons in the same module and those from different modules can be both negative and positive, with a mean close to zero, but with the strongest inferred connections found between cells of the same module. Taken together, our results suggest that grid cells in the same module do indeed form a local network of interconnected neurons with a functional connectivity that supports a role for attractor dynamics in the generation of grid pattern. PMID:25714908

  1. Spatial Correlation Function of the Chandra Selected Active Galactic Nuclei

    NASA Technical Reports Server (NTRS)

    Yang, Y.; Mushotzky, R. F.; Barger, A. J.; Cowie, L. L.

    2006-01-01

    We present the spatial correlation function analysis of non-stellar X-ray point sources in the Chandra Large Area Synoptic X-ray Survey of Lockman Hole Northwest (CLASXS). Our 9 ACIS-I fields cover a contiguous solid angle of 0.4 deg(exp 2) and reach a depth of 3 x 10(exp -15) erg/square cm/s in the 2-8 keV band. We supplement our analysis with data from the Chandra Deep Field North (CDFN). The addition of this field allows better probe of the correlation function at small scales. A total of 233 and 252 sources with spectroscopic information are used in the study of the CLASXS and CDFN fields respectively. We calculate both redshift-space and projected correlation functions in co-moving coordinates, averaged over the redshift range of 0.1 < z < 3.0, for both CLASXS and CDFN fields for a standard cosmology with Omega(sub Lambda) = 0.73,Omega(sub M) = 0.27, and h = 0.71 (H(sub 0) = 100h km/s Mpc(exp -1). The correlation function for the CLASXS field over scales of 3 Mpc< s < 200 Mpc can be modeled as a power-law of the form xi(s) = (S/SO)(exp - gamma), with gamma = 1.6(sup +0.4 sub -0.3) and S(sub o) = 8.0(sup +.14 sub -1.5) Mpc. The redshift-space correlation function for CDFN on scales of 1 Mpc< s < 100 Mpc is found to have a similar correlation length so = 8.55(sup +0.74 sub -0.74) Mpc, but a shallower slope (gamma = 1.3 +/- 0.1). The real-space correlation functions derived from the projected correlation functions, are found to be tau(sub 0 = 8.1(sup +1.2 sub -2.2) Mpc, and gamma = 2.1 +/- 0.5 for the CLASXS field, and tau(sub 0) = 5.8(sup +.1.0 sub -1.5) Mpc, gamma = 1.38(sup +0.12 sub -0.14 for the CDFN field. By comparing the real- and redshift-space correlation functions in the combined CLASXS and CDFN samples, we are able to estimate the redshift distortion parameter Beta = 0.4 +/- 0.2 at an effective redshift z = 0.94. We compare the correlation functions for hard and soft spectra sources in the CLASXS field and find no significant difference between the

  2. Neuroanatomical correlates of cognitive functioning in prodromal Huntington disease

    PubMed Central

    Harrington, Deborah L; Liu, Dawei; Smith, Megan M; Mills, James A; Long, Jeffrey D; Aylward, Elizabeth H; Paulsen, Jane S

    2014-01-01

    Introduction The brain mechanisms of cognitive impairment in prodromal Huntington disease (prHD) are not well understood. Although striatal atrophy correlates with some cognitive abilities, few studies of prHD have investigated whether cortical gray matter morphometry correlates in a regionally specific manner with functioning in different cognitive domains. This knowledge would inform the selection of cognitive measures for clinical trials that would be most sensitive to the target of a treatment intervention. Method In this study, random forest analysis was used to identify neuroanatomical correlates of functioning in five cognitive domains including attention and information processing speed, working memory, verbal learning and memory, negative emotion recognition, and temporal processing. Participants included 325 prHD individuals with varying levels of disease progression and 119 gene-negative controls with a family history of HD. In intermediate analyses, we identified brain regions that showed significant differences between the prHD and the control groups in cortical thickness and striatal volume. Brain morphometry in these regions was then correlated with cognitive functioning in each of the domains in the prHD group using random forest methods. We hypothesized that different regional patterns of brain morphometry would be associated with performances in distinct cognitive domains. Results The results showed that performances in different cognitive domains that are vulnerable to decline in prHD were correlated with regionally specific patterns of cortical and striatal morphometry. Putamen and/or caudate volumes were top-ranked correlates of performance across all cognitive domains, as was cortical thickness in regions related to the processing demands of each domain. Conclusions The results underscore the importance of identifying structural magnetic resonance imaging (sMRI) markers of functioning in different cognitive domains, as their relative

  3. Local-hybrid functional based on the correlation length

    SciTech Connect

    Johnson, Erin R.

    2014-09-28

    Local-hybrid functionals involve position-dependent mixing of Hartree-Fock and density-functional exchange, which should allow improved performance relative to conventional hybrids by reducing the inherent delocalization error and improving the long-range behaviour. Herein, the same-spin correlation length, obtained from the Fermi-hole radius, is used as the mixing parameter. The performance of the resulting local-hybrid functional is assessed for standard thermochemical and kinetics benchmarks. The local hybrid is shown to perform significantly better than the corresponding global hybrid in almost all cases.

  4. Time Dependence of Correlation Functions Following a Quantum Quench

    SciTech Connect

    Calabrese, Pasquale; Cardy, John

    2006-04-07

    We show that the time dependence of correlation functions in an extended quantum system in d dimensions, which is prepared in the ground state of some Hamiltonian and then evolves without dissipation according to some other Hamiltonian, may be extracted using methods of boundary critical phenomena in d+1 dimensions. For d=1 particularly powerful results are available using conformal field theory. These are checked against those available from solvable models. They may be explained in terms of a picture, valid more generally, whereby quasiparticles, entangled over regions of the order of the correlation length in the initial state, then propagate classically through the system.

  5. Large N correlation functions in superconformal field theories

    NASA Astrophysics Data System (ADS)

    Rodriguez-Gomez, Diego; Russo, Jorge G.

    2016-06-01

    We compute correlation functions of chiral primary operators in mathcal{N}=2 super-conformal theories at large N using a construction based on supersymmetric localization recently developed by Gerchkovitz et al. We focus on mathcal{N}=4 SYM as well as on supercon-formal QCD. In the case of mathcal{N}=4 we recover the free field theory results as expected due to non-renormalization theorems. In the case of superconformal QCD we study the planar expansion in the large N limit. The final correlators admit a simple generalization to a finite N formula which exactly matches the various small N results in the literature.

  6. Density functional theory for strongly-correlated ultracold dipolar gases

    NASA Astrophysics Data System (ADS)

    Malet Giralt, Francesc; Reimann, Stephanie; Gori-Giorgi, Paola; Lund University Collaboration

    2014-03-01

    We address quasi-one-dimensional strongly-correlated dipolar ultracold gases by means of density functional theory. We make use of an approximation for the Hartree-exchange-correlation that has been shown to be very accurate for electronic systems with coulombic interactions. We show that this approach allows to treat systems with very large particle numbers at relatively low computational cost. This work has been supported by a VIDI grant of the NWO and a Marie Curie grant within the FP7 programme.

  7. Perturbative bosonization from two-point correlation functions

    NASA Astrophysics Data System (ADS)

    Dalmazi, D.; de Souza Dutra, A.; Hott, Marcelo

    2003-06-01

    Here we address the problem of bosonizing massive fermions without making expansions in the fermion masses in both massive QED2 and QED3 with N fermion flavors including also a Thirring coupling. We start from two-point correlators involving the U(1) fermionic current and the gauge field. From the tensor structure of those correlators we prove that the U(1) current must be identically conserved (topological) in the corresponding bosonized theory in both D=2 and D=3 dimensions. We find an effective generating functional in terms of bosonic fields which reproduces these two-point correlators and from that we obtain a map of the Lagrangian density ψ¯r(i∂/-m)ψr into a bosonic one in both dimensions. This map is nonlocal but it is independent of the electromagnetic and Thirring couplings, at least in the quadratic approximation for the fermionic determinant.

  8. Enhancing the Reliability of Spectral Correlation Function with Distributed Computing

    NASA Astrophysics Data System (ADS)

    Alfaqawi, M. I.; Chebil, J.; Habaebi, M. H.; Ramli, N.; Mohamad, H.

    2013-12-01

    Various random time series used in signal processing systems are cyclostationary due to the sinusoidal carriers, pulse trains, periodic motion, or physical phenomenon. The cyclostationarity of the signal could be analysed by using the spectral correlation function (SCF). However, SCF is considered high complex due to the 2-D functionality and the required long observation time. The SCF could be computed in various methods however there are two methods used in practice such as FFT accumulation method (FAM) and strip spectral correlation algorithm (SSCA). This paper shows the benefit on the complexity and the reliability due to the workload distribution of one processor over different cooperated processors. The paper found that with increasing the reliability of the SCF, the number of the cooperated processors to achieve the half of the maximum complexity will reduce.

  9. Correlation functions and correlation widths in quantum-chaotic scattering for mesoscopic systems and nuclei.

    PubMed

    Ramos, J G G S; Barbosa, A L R; Carlson, B V; Frederico, T; Hussein, M S

    2016-01-01

    We derive analytical expressions for the correlation functions of the electronic conductance fluctuations of an open quantum dot under several conditions. Both the variation of energy and that of an external parameter, such as an applied perpendicular or parallel magnetic fields, are considered in the general case of partial openness. These expressions are then used to obtain the ensemble-averaged density of maxima, a measure recently suggested to contain invaluable information concerning the correlation widths of chaotic systems. The correlation width is then calculated for the case of energy variation, and a significant deviation from the Weisskopf estimate is found in the case of two terminals. The results are extended to more than two terminals. All of our results are analytical. The use of these results in other fields, such as nuclei, where the system can only be studied through a variation of the energy, is then discussed.

  10. Correlation functions and cumulants in elliptic flow analysis

    NASA Astrophysics Data System (ADS)

    Kovchegov, Yuri V.; Tuchin, Kirill L.

    2003-04-01

    We consider various methods of flow analysis in heavy ion collisions and compare experimental data on corresponding observables to the predictions of our saturation model proposed earlier [Nucl. Phys. A 708 (2002) 413]. We demonstrate that, due to the nature of the standard flow analysis, azimuthal distribution of particles with respect to reaction plane determined from the second order harmonics should always be proportional to cos2( φ- ΨR) independent of the physical origin of particle correlations (flow or non-flow). The amplitude of this distribution is always physical and proportional to v2. Two-particle correlations analysis is, therefore, a more reliable way of extracting the shape of physical azimuthal anisotropy. We demonstrate that two-particle correlation functions generated in our minijet model of particle production [Nucl. Phys. A 708 (2002) 413] are in good agreement with the data reported by PHENIX. We discuss the role of non-flow correlations in the cumulant flow analysis and demonstrate using a simple example that if the flow is weak, higher order cumulants analysis does not significantly reduce the contribution of non-flow correlations to elliptic flow observable v2 in RHIC data.

  11. Functional correlates of military sexual assault in male veterans.

    PubMed

    Schry, Amie R; Hibberd, Rachel; Wagner, H Ryan; Turchik, Jessica A; Kimbrel, Nathan A; Wong, Madrianne; Elbogen, Eric E; Strauss, Jennifer L; Brancu, Mira

    2015-11-01

    Despite research findings that similar numbers of male and female veterans are affected by military sexual trauma (MST), there has been considerably less research on the effects of MST specific to male veterans. The aim of the present study was to provide preliminary data describing functional correlates of military sexual assault (MSA) among male Iraq/Afghanistan-era veterans to identify potential health care needs for this population. We evaluated the following functional correlates: posttraumatic stress disorder (PTSD) symptoms, depression symptoms, alcohol use, drug use, suicidality, social support, violent behavior in the past 30 days, incarceration, disability eligibility status, and use of outpatient mental health treatment. We compared 3 groups: (a) male veterans who endorsed a history of MSA (n = 39), (b) a general non-MSA sample (n = 2,003), and (c) a matched non-MSA sample (n = 39) identified by matching algorithms on the basis of factors (e.g., age, education, adult premilitary sexual trauma history, childhood sexual and physical trauma history, and race) that could increase veterans' vulnerability to the functional correlates examined. MSA in men was associated with greater PTSD symptom severity, greater depression symptom severity, higher suicidality, and higher outpatient mental health treatment, above and beyond the effects of vulnerability factors. These findings suggest that, for male veterans, MSA may result in a severe and enduring overall symptom profile requiring ongoing clinical management. PMID:26524280

  12. Brain structure and function correlates of cognitive subtypes in schizophrenia.

    PubMed

    Geisler, Daniel; Walton, Esther; Naylor, Melissa; Roessner, Veit; Lim, Kelvin O; Charles Schulz, S; Gollub, Randy L; Calhoun, Vince D; Sponheim, Scott R; Ehrlich, Stefan

    2015-10-30

    Stable neuropsychological deficits may provide a reliable basis for identifying etiological subtypes of schizophrenia. The aim of this study was to identify clusters of individuals with schizophrenia based on dimensions of neuropsychological performance, and to characterize their neural correlates. We acquired neuropsychological data as well as structural and functional magnetic resonance imaging from 129 patients with schizophrenia and 165 healthy controls. We derived eight cognitive dimensions and subsequently applied a cluster analysis to identify possible schizophrenia subtypes. Analyses suggested the following four cognitive clusters of schizophrenia: (1) Diminished Verbal Fluency, (2) Diminished Verbal Memory and Poor Motor Control, (3) Diminished Face Memory and Slowed Processing, and (4) Diminished Intellectual Function. The clusters were characterized by a specific pattern of structural brain changes in areas such as Wernicke's area, lingual gyrus and occipital face area, and hippocampus as well as differences in working memory-elicited neural activity in several fronto-parietal brain regions. Separable measures of cognitive function appear to provide a method for deriving cognitive subtypes meaningfully related to brain structure and function. Because the present study identified brain-based neural correlates of the cognitive clusters, the proposed groups of individuals with schizophrenia have some external validity.

  13. Dynamical functions of a 1D correlated quantum liquid

    NASA Astrophysics Data System (ADS)

    Carmelo, J. M. P.; Bozi, D.; Penc, K.

    2008-10-01

    The dynamical correlation functions in one-dimensional electronic systems show power-law behaviour at low energies and momenta close to integer multiples of the charge and spin Fermi momenta. These systems are usually referred to as Tomonaga-Luttinger liquids. However, near well defined lines of the (k,ω) plane the power-law behaviour extends beyond the low-energy cases mentioned above, and also appears at higher energies, leading to singular features in the photoemission spectra and other dynamical correlation functions. The general spectral-function expressions derived in this paper were used in recent theoretical studies of the finite-energy singular features in photoemission of the organic compound tetrathiafulvalene-tetracyanoquinodimethane (TTF-TCNQ) metallic phase. They are based on a so-called pseudofermion dynamical theory (PDT), which allows us to systematically enumerate and describe the excitations in the Hubbard model starting from the Bethe ansatz, as well as to calculate the charge and spin object phase shifts appearing as exponents of the power laws. In particular, we concentrate on the spin-density m\\rightarrow 0 limit and on effects in the vicinity of the singular border lines, as well as close to half filling. Our studies take into account spectral contributions from types of microscopic processes that do not occur for finite values of the spin density. In addition, the specific processes involved in the spectral features of TTF-TCNQ are studied. Our results are useful for the further understanding of the unusual spectral properties observed in low-dimensional organic metals and also provide expressions for the one- and two-atom spectral functions of a correlated quantum system of ultracold fermionic atoms in a 1D optical lattice with on-site two-atom repulsion.

  14. Reduced density-matrix functional theory: Correlation and spectroscopy

    SciTech Connect

    Di Sabatino, S.; Romaniello, P.; Berger, J. A.; Reining, L.

    2015-07-14

    In this work, we explore the performance of approximations to electron correlation in reduced density-matrix functional theory (RDMFT) and of approximations to the observables calculated within this theory. Our analysis focuses on the calculation of total energies, occupation numbers, removal/addition energies, and spectral functions. We use the exactly solvable Hubbard dimer at 1/4 and 1/2 fillings as test systems. This allows us to analyze the underlying physics and to elucidate the origin of the observed trends. For comparison, we also report the results of the GW approximation, where the self-energy functional is approximated, but no further hypothesis is made concerning the approximations of the observables. In particular, we focus on the atomic limit, where the two sites of the dimer are pulled apart and electrons localize on either site with equal probability, unless a small perturbation is present: this is the regime of strong electron correlation. In this limit, using the Hubbard dimer at 1/2 filling with or without a spin-symmetry-broken ground state allows us to explore how degeneracies and spin-symmetry breaking are treated in RDMFT. We find that, within the used approximations, neither in RDMFT nor in GW, the signature of strong correlation is present, when looking at the removal/addition energies and spectral function from the spin-singlet ground state, whereas both give the exact result for the spin-symmetry broken case. Moreover, we show how the spectroscopic properties change from one spin structure to the other.

  15. The Neural Correlates of Shoulder Apprehension: A Functional MRI Study

    PubMed Central

    Shitara, Hitoshi; Shimoyama, Daisuke; Sasaki, Tsuyoshi; Hamano, Noritaka; Ichinose, Tsuyoshi; Yamamoto, Atsushi; Kobayashi, Tsutomu; Osawa, Toshihisa; Iizuka, Haku; Hanakawa, Takashi; Tsushima, Yoshito; Takagishi, Kenji

    2015-01-01

    Although shoulder apprehension is an established clinical finding and is important for the prevention of shoulder dislocation, how this subjective perception is evoked remains unclear. We elucidated the functional neuroplasticity associated with apprehension in patients with recurrent anterior shoulder instability (RSI) using functional magnetic resonance imaging (fMRI). Twelve healthy volunteers and 14 patients with right-sided RSI performed a motor imagery task and a passive shoulder motion task. Brain activity was compared between healthy participants and those with RSI and was correlated with the apprehension intensity reported by participants after each task. Compared to healthy volunteers, participants with RSI exhibited decreased brain activity in the motor network, but increased activity in the hippocampus and amygdala. During the passive motion task, participants with RSI exhibited decreased activity in the left premotor and primary motor/somatosensory areas. Furthermore, brain activity was correlated with apprehension intensity in the left amygdala and left thalamus during the motor imagery task (memory-induced), while a correlation between apprehension intensity and brain activity was found in the left prefrontal cortex during the passive motion task (instability-induced). Our findings provide insight into the pathophysiology of RSI by identifying its associated neural alterations. We elucidated that shoulder apprehension was induced by two different factors, namely instability and memory. PMID:26351854

  16. Density Functional Plus Dynamical Mean Field Theory of Correlated Oxides

    NASA Astrophysics Data System (ADS)

    Millis, Andrew

    2015-03-01

    The density functional plus dynamical mean field method is outlined and a few recent successes including applications to spin crossover molecules, oxide superlattices and metal-insulator transitions in bulk transition metals are outlined. Insights from the method into the essential role played by lattice distortions (both rotations and bond length changes) in determining the phase diagrams of correlated materials are presented. The key theoretical issue of the double counting correction is outlined, different approaches are compared, and a connection to the energy level differences between strongly and weakly correlated orbitals is presented. Charge transfer across oxide interfaces shown to depend crucially on the double counting correction, suggesting that experiments on oxide superlattices may provide insights into this important problem. Future directions are discussed. This work is performed in collaboration with Jia Chen, Hung Dang, Hyowon Park and Chris Marianetti. This research supported by the DOE Office of Science, Grant ER 046169.

  17. Model updating using correlation analysis of strain frequency response function

    NASA Astrophysics Data System (ADS)

    Guo, Ning; Yang, Zhichun; Jia, You; Wang, Le

    2016-03-01

    A method is proposed to modify the structural parameters of a dynamic finite element (FE) model by using the correlation analysis for strain frequency response function (SFRF). Sensitivity analysis of correlation coefficients is used to establish the linear algebraic equations for model updating. In order to improve the accuracy of updated model, the regularization technique is used to solve the ill-posed problem in model updating procedure. Finally, a numerical study and a model updating experiment are performed to verify the feasibility and robustness of the proposed method. The results show that the updated SFRFs and experimental SFRFs agree well, especially in resonance regions. Meanwhile, the proposed method has good robustness to noise ability and remains good feasibility even the number of measurement locations reduced significantly.

  18. Correlation between physical function, cognitive function, and health-related quality of life in elderly persons

    PubMed Central

    Kim, DeokJu

    2016-01-01

    [Purpose] This study aimed to assess the quality of life of elderly people related to physical function, cognitive function, and health, and devised methods to enhance their health-related quality of life. [Subjects and Methods] This study was conducted from November 2014 to January 2015 in 140 people over 65 registered at welfare centers. Those with a functional psychological disorder or difficulty communicating were excluded. Data were collected for physical function, cognitive function, and health-related quality of life (HRQOL) using an assessment tool and questionnaire for healthy elderly people over 65. Physical function was measured using muscle strength muscle endurance, reaction time, and balance. [Results] Correlations were observed between cognitive function and endurance, reaction time, and balance. Physical HRQOL showed correlations with all domains of physical function; mental HRQOL showed correlations with all items of physical function except muscle strength. Among factors that influence HRQOL, all items except educational background were significant variables. Educational background had no influence on HRQOL. [Conclusion] Interventions will correct factors with a negative influence on HRQOL, utilizing regular checks on physical, cognitive, and other functions of elderly people, with early detection and intervention to enhance HRQOL. Cognitive intervention related to physical and other functions will be applied. PMID:27390430

  19. Brains online: structural and functional correlates of habitual Internet use.

    PubMed

    Kühn, Simone; Gallinat, Jürgen

    2015-03-01

    In the past decades, the Internet has become one of the most important tools to gather information and communicate with other people. Excessive use is a growing concern of health practitioners. Based on the assumption that excessive Internet use bears resemblance with addictive behaviour, we hypothesized alterations of the fronto-striatal network in frequent users. On magnetic resonance imaging scans of 62 healthy male adults, we computed voxel-based morphometry to identify grey matter (GM) correlates of excessive Internet use, assessed by means of the Internet Addiction Test (IAT) and functional connectivity analysis and amplitude of low-frequency fluctuation (ALFF) measures on resting state data to explore the functional networks associated with structural alterations. We found a significant negative association between the IAT score and right frontal pole GM volume (P < 0.001, family wise error corrected). Functional connectivity of right frontal pole to left ventral striatum was positively associated with higher IAT scores. Furthermore, the IAT score was positively correlated to ALFF in bilateral ventral striatum. The alterations in the fronto-striatal circuitry associated with growing IAT scores could reflect a reduction of top-down modulation of prefrontal areas, in particular, the ability to maintain long-term goals in face of distraction. The higher activation of ventral striatum at rest may indicate a constant activation in the context of a diminished prefrontal control. The results demonstrate that excessive Internet use may be driven by neuronal circuits relevant for addictive behaviour.

  20. Finite volume form factors and correlation functions at finite temperature

    NASA Astrophysics Data System (ADS)

    Pozsgay, Balázs

    2009-07-01

    In this thesis we investigate finite size effects in 1+1 dimensional integrable QFT. In particular we consider matrix elements of local operators (finite volume form factors) and vacuum expectation values and correlation functions at finite temperature. In the first part of the thesis we give a complete description of the finite volume form factors in terms of the infinite volume form factors (solutions of the bootstrap program) and the S-matrix of the theory. The calculations are correct to all orders in the inverse of the volume, only exponentially decaying (residual) finite size effects are neglected. We also consider matrix elements with disconnected pieces and determine the general rule for evaluating such contributions in a finite volume. The analytic results are tested against numerical data obtained by the truncated conformal space approach in the Lee-Yang model and the Ising model in a magnetic field. In a separate section we also evaluate the leading exponential correction (the μ-term) associated to multi-particle energies and matrix elements. In the second part of the thesis we show that finite volume factors can be used to derive a systematic low-temperature expansion for correlation functions at finite temperature. In the case of vacuum expectation values the series is worked out up to the third non-trivial order and a complete agreement with the LeClair-Mussardo formula is observed. A preliminary treatment of the two-point function is also given by considering the first nontrivial contributions.

  1. Noise cross correlation functions in a noisy region

    NASA Astrophysics Data System (ADS)

    Gaudot, I.; Beucler, E.; Mocquet, A.; Schimmel, M.; Le Feuvre, M.; Leparoux, D.; Côte, P.

    2013-12-01

    The geology of the western France can be roughly split into two main domains: the Armorican massif that contains imprints of the old Cadomian and Variscan orogens; and the Bay of Biscay which present signatures of more recent tectonic events closely related to the opening of North Atlantic ocean. Due to the lack of seismic stations deployment, it exists very few pictures of the deep structures below the Armorican Massif and the Bay of Biscay. Recently, a broadband array of seismometers has been deployed over the south and west of France, providing a good opportunity to get reliable images at depth. Since the region is surrounded by the seas, the seismic ambient noise tomography technique has been proposed to reveal the crustal and uppermost mantle features beneath this area. The first step consists in the computation of noise correlation functions (NCFs) between each station pairs. The ability to obtain empirical Green's functions from NCFs relies on the efficiency of the randomization. Classic ambient noise tomography studies use long-time series (typically several months) to help the randomization including all the scattering effects due to Earth's heterogeneities. However, additionnal signal processing steps such as temporal and/or spectral whitening are most often required for the signals to be representative of a random wavefield. These techniques rely on nonlinear operations which corrupt the integrity of the original record. In the literature, alternatives have been proposed to avoid, at least partially, such non linear operations. One of them is the instantaneous phase cross correlation (PCC). This correlation technique is intrinsically little sensitive to large amplitude transient signals. Using a set of data from a temporary broad band array, we explore the features of the PCC as compared to the time domain geometrically normalized cross correlation (CCGN). In the 0.02Hz-1Hz frequency band, different time series are extracted to investigate the effects of

  2. Communication: importance sampling including path correlation in semiclassical initial value representation calculations for time correlation functions.

    PubMed

    Pan, Feng; Tao, Guohua

    2013-03-01

    Full semiclassical (SC) initial value representation (IVR) for time correlation functions involves a double phase space average over a set of two phase points, each of which evolves along a classical path. Conventionally, the two initial phase points are sampled independently for all degrees of freedom (DOF) in the Monte Carlo procedure. Here, we present an efficient importance sampling scheme by including the path correlation between the two initial phase points for the bath DOF, which greatly improves the performance of the SC-IVR calculations for large molecular systems. Satisfactory convergence in the study of quantum coherence in vibrational relaxation has been achieved for a benchmark system-bath model with up to 21 DOF.

  3. Nonlocal density-functional description constructed from a correlated many-body wave function

    NASA Astrophysics Data System (ADS)

    Umezawa, Naoto; Tsuneyuki, Shinji

    2004-03-01

    We suggest a new approach to the nonlocal density-functional theory. In our method, the nonlocal correlation functional is derived from a correlated many-body wave function using the transcorrelated similarity transformation [1,2]. Our formalism is rigorous in principle if the v-representable density is assumed. In practice, Jastrow-Slater-type wave function is adopted and the correlation functional consists of many-body interactions originated from the Jastrow factor. Instead of struggling with these higher order interactions, we retain only 2-body interactions multiplying an adjusting parameter so that it can reproduce the exact correlation energy for the homogeneous electron gas. Therefore, the computational cost is comparable to the exact exchange method. Moreover, parameters in the Jastrow factor are determined by the two conditions: the cusp conditions and the random-phase approximation without empirical fitting. We found that our correlation functional gives fairly good results for small atoms and ions (He, Li^+, Be^2+, Li, and Be). [1]S. F. Boys and N. C. Handy, Proc. Roy. Soc. A, 309, 209; 310, 43; 310, 63; 311, 309. [2] N. Umezawa and S. Tsuneyuki, J. Chem. Phys. 119, 10015 (2003).

  4. Accuracy limit of rigid 3-point water models

    NASA Astrophysics Data System (ADS)

    Izadi, Saeed; Onufriev, Alexey V.

    2016-08-01

    Classical 3-point rigid water models are most widely used due to their computational efficiency. Recently, we introduced a new approach to constructing classical rigid water models [S. Izadi et al., J. Phys. Chem. Lett. 5, 3863 (2014)], which permits a virtually exhaustive search for globally optimal model parameters in the sub-space that is most relevant to the electrostatic properties of the water molecule in liquid phase. Here we apply the approach to develop a 3-point Optimal Point Charge (OPC3) water model. OPC3 is significantly more accurate than the commonly used water models of same class (TIP3P and SPCE) in reproducing a comprehensive set of liquid bulk properties, over a wide range of temperatures. Beyond bulk properties, we show that OPC3 predicts the intrinsic charge hydration asymmetry (CHA) of water — a characteristic dependence of hydration free energy on the sign of the solute charge — in very close agreement with experiment. Two other recent 3-point rigid water models, TIP3PFB and H2ODC, each developed by its own, completely different optimization method, approach the global accuracy optimum represented by OPC3 in both the parameter space and accuracy of bulk properties. Thus, we argue that an accuracy limit of practical 3-point rigid non-polarizable models has effectively been reached; remaining accuracy issues are discussed.

  5. Accuracy limit of rigid 3-point water models.

    PubMed

    Izadi, Saeed; Onufriev, Alexey V

    2016-08-21

    Classical 3-point rigid water models are most widely used due to their computational efficiency. Recently, we introduced a new approach to constructing classical rigid water models [S. Izadi et al., J. Phys. Chem. Lett. 5, 3863 (2014)], which permits a virtually exhaustive search for globally optimal model parameters in the sub-space that is most relevant to the electrostatic properties of the water molecule in liquid phase. Here we apply the approach to develop a 3-point Optimal Point Charge (OPC3) water model. OPC3 is significantly more accurate than the commonly used water models of same class (TIP3P and SPCE) in reproducing a comprehensive set of liquid bulk properties, over a wide range of temperatures. Beyond bulk properties, we show that OPC3 predicts the intrinsic charge hydration asymmetry (CHA) of water - a characteristic dependence of hydration free energy on the sign of the solute charge - in very close agreement with experiment. Two other recent 3-point rigid water models, TIP3PFB and H2ODC, each developed by its own, completely different optimization method, approach the global accuracy optimum represented by OPC3 in both the parameter space and accuracy of bulk properties. Thus, we argue that an accuracy limit of practical 3-point rigid non-polarizable models has effectively been reached; remaining accuracy issues are discussed. PMID:27544113

  6. The Intermediate Scattering Function in Fluorescence Correlation Spectroscopy

    NASA Astrophysics Data System (ADS)

    Guerra, Rodrigo; Andrews, Ballard; Sen, Pabitra

    2006-03-01

    We formulate the autocorrelation function for Fluorescence Correlation Spectroscopy (FCS) GD(τ) in reciprocal space in terms of the of the Intermediate Scattering Function ISF(k,t) and the fourier transform of the Optical Response Function ORF(k). In this way we may extend the use of FCS to processes that have been studied using NMR, DLS, and neutron scattering. This formalism is useful for the complicated propagators involved in confined systems and in the study of diffusion in cells: where diffusion is either restricted or permeation through membrane is important. Calculations in k-space produce approximate expressions for the ORF using cumulant expansions that are accurate for small wavevectors. This provides descriptions for longer timescales better suited for studying time-dependent diffusion ISF(k,t)->exp[-tD(t)k^2] and provides a natural separation of contributions from system dynamics and from optical artifacts and aberrations. We will show an explicit derivation of a semi-analytical fit function for free diffusion based on standard electromagnetic analysis of a confocal optical apparatus. This fit function is then used to analyze a representative data set and has no free fit parameters other than the diffusion constant.

  7. Functional connectivity correlates of response inhibition impairment in anorexia nervosa.

    PubMed

    Collantoni, Enrico; Michelon, Silvia; Tenconi, Elena; Degortes, Daniela; Titton, Francesca; Manara, Renzo; Clementi, Maurizio; Pinato, Claudia; Forzan, Monica; Cassina, Matteo; Santonastaso, Paolo; Favaro, Angela

    2016-01-30

    Anorexia nervosa (AN) is a disorder characterized by high levels of cognitive control and behavioral perseveration. The present study aims at exploring inhibitory control abilities and their functional connectivity correlates in patients with AN. Inhibitory control - an executive function that allows the realization of adaptive behavior according to environmental contingencies - has been assessed by means of the Stop-Signal paradigm. The study involved 155 patients with lifetime AN and 102 healthy women. A subsample underwent resting-state functional magnetic resonance imaging and was genotyped for COMT and 5-HTTLPR polymorphisms. AN patients showed an impaired response inhibition and a disruption of the functional connectivity of the ventral attention circuit, a neural network implicated in behavioral response when a stimulus occurs unexpected. The 5-HTTLPR genotype appears to significantly interact with the functional connectivity of ventral attention network in explaining task performance in both patients and controls, suggesting a role of the serotoninergic system in mechanisms of response selection. The disruption of the ventral attention network in patients with AN suggests lower efficiency of bottom-up signal filtering, which might be involved in difficulties to adapt behavioral responses to environmental needs. Our findings deserve further research to confirm their scientific and therapeutic implications.

  8. Analytical correlation functions for motion through diffusivity landscapes.

    PubMed

    Roosen-Runge, Felix; Bicout, Dominique J; Barrat, Jean-Louis

    2016-05-28

    Diffusion of a particle through an energy and diffusivity landscape is a very general phenomenon in numerous systems of soft and condensed matter. On the one hand, theoretical frameworks such as Langevin and Fokker-Planck equations present valuable accounts to understand these motions in great detail, and numerous studies have exploited these approaches. On the other hand, analytical solutions for correlation functions, as, e.g., desired by experimentalists for data fitting, are only available for special cases. We explore the possibility to use different theoretical methods in the specific picture of time-dependent switching between diffusive states to derive analytical functions that allow to link experimental and simulation results to theoretical calculations. In particular, we present a closed formula for diffusion switching between two states, as well as a general recipe of how to generalize the formula to multiple states. PMID:27250281

  9. Analytical correlation functions for motion through diffusivity landscapes

    NASA Astrophysics Data System (ADS)

    Roosen-Runge, Felix; Bicout, Dominique J.; Barrat, Jean-Louis

    2016-05-01

    Diffusion of a particle through an energy and diffusivity landscape is a very general phenomenon in numerous systems of soft and condensed matter. On the one hand, theoretical frameworks such as Langevin and Fokker-Planck equations present valuable accounts to understand these motions in great detail, and numerous studies have exploited these approaches. On the other hand, analytical solutions for correlation functions, as, e.g., desired by experimentalists for data fitting, are only available for special cases. We explore the possibility to use different theoretical methods in the specific picture of time-dependent switching between diffusive states to derive analytical functions that allow to link experimental and simulation results to theoretical calculations. In particular, we present a closed formula for diffusion switching between two states, as well as a general recipe of how to generalize the formula to multiple states.

  10. Can density cumulant functional theory describe static correlation effects?

    PubMed

    Mullinax, J Wayne; Sokolov, Alexander Yu; Schaefer, Henry F

    2015-06-01

    We evaluate the performance of density cumulant functional theory (DCT) for capturing static correlation effects. In particular, we examine systems with significant multideterminant character of the electronic wave function, such as the beryllium dimer, diatomic carbon, m-benzyne, 2,6-pyridyne, twisted ethylene, as well as the barrier for double-bond migration in cyclobutadiene. We compute molecular properties of these systems using the ODC-12 and DC-12 variants of DCT and compare these results to multireference configuration interaction and multireference coupled-cluster theories, as well as single-reference coupled-cluster theory with single, double (CCSD), and perturbative triple excitations [CCSD(T)]. For all systems the DCT methods show intermediate performance between that of CCSD and CCSD(T), with significant improvement over the former method. In particular, for the beryllium dimer, m-benzyne, and 2,6-pyridyne, the ODC-12 method along with CCSD(T) correctly predict the global minimum structures, while CCSD predictions fail qualitatively, underestimating the multireference effects. Our results suggest that the DC-12 and ODC-12 methods are capable of describing emerging static correlation effects but should be used cautiously when highly accurate results are required. Conveniently, the appearance of multireference effects in DCT can be diagnosed by analyzing the DCT natural orbital occupations, which are readily available at the end of the energy computation.

  11. Omega from the anisotropy of the redshift correlation function

    NASA Technical Reports Server (NTRS)

    Hamilton, A. J. S.

    1993-01-01

    Peculiar velocities distort the correlation function of galaxies observed in redshift space. In the large scale, linear regime, the distortion takes a characteristic quadrupole plus hexadecapole form, with the amplitude of the distortion depending on the cosmological density parameter omega. Preliminary measurements are reported here of the harmonics of the correlation function in the CfA, SSRS, and IRAS 2 Jansky redshift surveys. The observed behavior of the harmonics agrees qualitatively with the predictions of linear theory on large scales in every survey. However, real anisotropy in the galaxy distribution induces large fluctuations in samples which do not yet probe a sufficiently fair volume of the Universe. In the CfA 14.5 sample in particular, the Great Wall induces a large negative quadrupole, which taken at face value implies an unrealistically large omega 20. The IRAS 2 Jy survey, which covers a substantially larger volume than the optical surveys and is less affected by fingers-of-god, yields a more reliable and believable value, omega = 0.5 sup +.5 sub -.25.

  12. Can density cumulant functional theory describe static correlation effects?

    PubMed

    Mullinax, J Wayne; Sokolov, Alexander Yu; Schaefer, Henry F

    2015-06-01

    We evaluate the performance of density cumulant functional theory (DCT) for capturing static correlation effects. In particular, we examine systems with significant multideterminant character of the electronic wave function, such as the beryllium dimer, diatomic carbon, m-benzyne, 2,6-pyridyne, twisted ethylene, as well as the barrier for double-bond migration in cyclobutadiene. We compute molecular properties of these systems using the ODC-12 and DC-12 variants of DCT and compare these results to multireference configuration interaction and multireference coupled-cluster theories, as well as single-reference coupled-cluster theory with single, double (CCSD), and perturbative triple excitations [CCSD(T)]. For all systems the DCT methods show intermediate performance between that of CCSD and CCSD(T), with significant improvement over the former method. In particular, for the beryllium dimer, m-benzyne, and 2,6-pyridyne, the ODC-12 method along with CCSD(T) correctly predict the global minimum structures, while CCSD predictions fail qualitatively, underestimating the multireference effects. Our results suggest that the DC-12 and ODC-12 methods are capable of describing emerging static correlation effects but should be used cautiously when highly accurate results are required. Conveniently, the appearance of multireference effects in DCT can be diagnosed by analyzing the DCT natural orbital occupations, which are readily available at the end of the energy computation. PMID:26575548

  13. Sudomotor innervation in transthyretin amyloid neuropathy: Pathology and functional correlates

    PubMed Central

    Huang, Cho‐Min; Chiang, Hao‐Hua; Luo, Kai‐Ren; Kan, Hung‐Wei; Yang, Naomi Chu‐Chiao; Chiang, Hao; Lin, Whei‐Min; Lai, Shu‐Mei; Lee, Ming‐Jen; Shun, Chia‐Tung; Hsieh, Sung‐Tsang

    2015-01-01

    Objective Autonomic neuropathy is a major component of familial amyloid polyneuropathy (FAP) due to mutated transthyretin, with sudomotor failure as a common manifestation. This study aimed to investigate the pathology and clinical significance of sudomotor denervation. Methods Skin biopsies were performed on the distal leg of FAP patients with a follow‐up duration of 3.8 ± 1.6 years. Sudomotor innervation was stained with 2 markers: protein gene product 9.5 (PGP 9.5), a general neuronal marker, and vasoactive intestinal peptide (VIP), a sudomotor nerve functional marker, followed by quantitation according to sweat gland innervation index (SGII) for PGP 9.5 (SGIIPGP 9.5) and VIP (SGIIVIP). Results There were 28 patients (25 men) with Ala97Ser transthyretin and late onset (59.9 ± 6.0 years) disabling neuropathy. Autonomic symptoms were present in 22 patients (78.6%) at the time of skin biopsy. The SGIIPGP 9.5 and SGIIVIP of FAP patients were significantly lower than those of age‐ and gender‐matched controls. The reduction of SGIIVIP was more severe than that of SGIIPGP 9.5 (p = 0.002). Patients with orthostatic hypotension or absent sympathetic skin response at palms were associated with lower SGIIPGP 9.5 (p = 0.019 and 0.002, respectively). SGIIPGP 9.5 was negatively correlated with the disability grade at the time of skin biopsy (p = 0.004), and was positively correlated with the interval from the time of skin biopsy to the time of wheelchair usage (p = 0.029). Interpretation This study documented the pathological evidence of sudomotor denervation in FAP. SGIIPGP 9.5 was functionally correlated with autonomic symptoms, autonomic tests, ambulation status, and progression of disability. Ann Neurol 2015;78:272℃283 PMID:25973863

  14. Constructing a bivariate distribution function with given marginals and correlation: application to the galaxy luminosity function

    NASA Astrophysics Data System (ADS)

    Takeuchi, Tsutomu T.

    2010-08-01

    We provide an analytic method to construct a bivariate distribution function (DF) with given marginal distributions and correlation coefficient. We introduce a convenient mathematical tool, called a copula, to connect two DFs with any prescribed dependence structure. If the correlation of two variables is weak (Pearson's correlation coefficient |ρ| < 1/3), the Farlie-Gumbel-Morgenstern (FGM) copula provides an intuitive and natural way to construct such a bivariate DF. When the linear correlation is stronger, the FGM copula cannot work anymore. In this case, we propose using a Gaussian copula, which connects two given marginals and is directly related to the linear correlation coefficient between two variables. Using the copulas, we construct the bivariate luminosity function (BLF) and discuss its statistical properties. We focus especially on the far-infrared-far-ulatraviolet (FUV-FIR) BLF, since these two wavelength regions are related to star-formation (SF) activity. Though both the FUV and FIR are related to SF activity, the univariate LFs have a very different functional form: the former is well described by the Schechter function whilst the latter has a much more extended power-law-like luminous end. We construct the FUV-FIR BLFs using the FGM and Gaussian copulas with different strengths of correlation, and examine their statistical properties. We then discuss some further possible applications of the BLF: the problem of a multiband flux-limited sample selection, the construction of the star-formation rate (SFR) function, and the construction of the stellar mass of galaxies (M*)-specific SFR (SFR/M*) relation. The copulas turn out to be a very useful tool to investigate all these issues, especially for including complicated selection effects.

  15. A maximum likelihood approach to estimating correlation functions

    SciTech Connect

    Baxter, Eric Jones; Rozo, Eduardo

    2013-12-10

    We define a maximum likelihood (ML for short) estimator for the correlation function, ξ, that uses the same pair counting observables (D, R, DD, DR, RR) as the standard Landy and Szalay (LS for short) estimator. The ML estimator outperforms the LS estimator in that it results in smaller measurement errors at any fixed random point density. Put another way, the ML estimator can reach the same precision as the LS estimator with a significantly smaller random point catalog. Moreover, these gains are achieved without significantly increasing the computational requirements for estimating ξ. We quantify the relative improvement of the ML estimator over the LS estimator and discuss the regimes under which these improvements are most significant. We present a short guide on how to implement the ML estimator and emphasize that the code alterations required to switch from an LS to an ML estimator are minimal.

  16. Functional cortical network in alpha band correlates with social bargaining.

    PubMed

    Billeke, Pablo; Zamorano, Francisco; Chavez, Mario; Cosmelli, Diego; Aboitiz, Francisco

    2014-01-01

    Solving demanding tasks requires fast and flexible coordination among different brain areas. Everyday examples of this are the social dilemmas in which goals tend to clash, requiring one to weigh alternative courses of action in limited time. In spite of this fact, there are few studies that directly address the dynamics of flexible brain network integration during social interaction. To study the preceding, we carried out EEG recordings while subjects played a repeated version of the Ultimatum Game in both human (social) and computer (non-social) conditions. We found phase synchrony (inter-site-phase-clustering) modulation in alpha band that was specific to the human condition and independent of power modulation. The strength and patterns of the inter-site-phase-clustering of the cortical networks were also modulated, and these modulations were mainly in frontal and parietal regions. Moreover, changes in the individuals' alpha network structure correlated with the risk of the offers made only in social conditions. This correlation was independent of changes in power and inter-site-phase-clustering strength. Our results indicate that, when subjects believe they are participating in a social interaction, a specific modulation of functional cortical networks in alpha band takes place, suggesting that phase synchrony of alpha oscillations could serve as a mechanism by which different brain areas flexibly interact in order to adapt ongoing behavior in socially demanding contexts.

  17. [Correlations of consciousness and the default function of the brain].

    PubMed

    Gyulaházi, Judit; Varga, Katalin

    2014-01-30

    Neural correlation with consciousness represents a main topic of neuroscience studies. New results of consciousness researches proved that based on a coherent function in between its components the default mode network activity is the condition for awake consciousness. The subject of consciousness is self. Tasks related with the self were proving a high default mode network activity. Using connections inside the network, results which were related with self, could be considered to represent a polymodal integration system are they are participating in fine processing of the highly integrated associative information. It could be a result of the convergence of cognitive binding. There is a strong connection between the level of consciousness and praecuneal activation. It was proved that the network activity is changing during sleeping (normal condition), trauma or under drug induced altered consciousness. The default network activity can be considered as the neural correlate of consciousness. Further researches are warranted to answer the question: is the activity of the network the cause or is just accompanying the development of human consciousness?

  18. Functional Cortical Network in Alpha Band Correlates with Social Bargaining

    PubMed Central

    Billeke, Pablo; Zamorano, Francisco; Chavez, Mario; Cosmelli, Diego; Aboitiz, Francisco

    2014-01-01

    Solving demanding tasks requires fast and flexible coordination among different brain areas. Everyday examples of this are the social dilemmas in which goals tend to clash, requiring one to weigh alternative courses of action in limited time. In spite of this fact, there are few studies that directly address the dynamics of flexible brain network integration during social interaction. To study the preceding, we carried out EEG recordings while subjects played a repeated version of the Ultimatum Game in both human (social) and computer (non-social) conditions. We found phase synchrony (inter-site-phase-clustering) modulation in alpha band that was specific to the human condition and independent of power modulation. The strength and patterns of the inter-site-phase-clustering of the cortical networks were also modulated, and these modulations were mainly in frontal and parietal regions. Moreover, changes in the individuals’ alpha network structure correlated with the risk of the offers made only in social conditions. This correlation was independent of changes in power and inter-site-phase-clustering strength. Our results indicate that, when subjects believe they are participating in a social interaction, a specific modulation of functional cortical networks in alpha band takes place, suggesting that phase synchrony of alpha oscillations could serve as a mechanism by which different brain areas flexibly interact in order to adapt ongoing behavior in socially demanding contexts. PMID:25286240

  19. A density functional for core-valence correlation energy.

    PubMed

    Ranasinghe, Duminda S; Frisch, Michael J; Petersson, George A

    2015-12-01

    A density functional, εCV-DFT(ρc, ρv), describing the core-valence correlation energy has been constructed as a linear combination of εLY P (corr)(ρc), εV WN5 (corr)(ρc, ρv), εPBE (corr)(ρc, ρv), εSlater (ex)(ρc, ρv), εHCTH (ex)(ρc, ρv), εHF (ex)(ρc, ρv), and FCV-DFTNi,Zi, a function of the nuclear charges. This functional, with 6 adjustable parameters, reproduces (±0.27 kcal/mol rms error) a benchmark set of 194 chemical energy changes including 9 electron affinities, 18 ionization potentials, and 167 total atomization energies covering the first- and second-rows of the periodic table. This is almost twice the rms error (±0.16 kcal/mol) obtained with CCSD(T)/MTsmall calculations, but less than half the rms error (±0.65 kcal/mol) obtained with MP2/GTlargeXP calculations, and somewhat smaller than the rms error (±0.39 kcal/mol) obtained with CCSD/MTsmall calculations. The largest positive and negative errors from εCV-DFT(ρc, ρv) were 0.88 and -0.75 kcal/mol with the set of 194 core-valence energy changes ranging from +3.76 kcal/mol for the total atomization energy of propyne to -9.05 kcal/mol for the double ionization of Mg. Evaluation of the εCV-DFT(ρc, ρv) functional requires less time than a single SCF iteration, and the accuracy is adequate for any model chemistry based on the CCSD(T) level of theory. PMID:26646873

  20. A density functional for core-valence correlation energy

    NASA Astrophysics Data System (ADS)

    Ranasinghe, Duminda S.; Frisch, Michael J.; Petersson, George A.

    2015-12-01

    A density functional, ɛCV-DFT(ρc, ρv), describing the core-valence correlation energy has been constructed as a linear combination of ɛLY Pcorr(ρc), ɛV WN5corr(ρc, ρv), ɛPBEcorr(ρc, ρv), ɛSlaterex(ρc, ρv), ɛHCTHex(ρc, ρv), ɛHFex(ρc, ρv), and F CV -DFT (" separators=" N i , Z i ) , a function of the nuclear charges. This functional, with 6 adjustable parameters, reproduces (±0.27 kcal/mol rms error) a benchmark set of 194 chemical energy changes including 9 electron affinities, 18 ionization potentials, and 167 total atomization energies covering the first- and second-rows of the periodic table. This is almost twice the rms error (±0.16 kcal/mol) obtained with CCSD(T)/MTsmall calculations, but less than half the rms error (±0.65 kcal/mol) obtained with MP2/GTlargeXP calculations, and somewhat smaller than the rms error (±0.39 kcal/mol) obtained with CCSD/MTsmall calculations. The largest positive and negative errors from ɛCV-DFT(ρc, ρv) were 0.88 and -0.75 kcal/mol with the set of 194 core-valence energy changes ranging from +3.76 kcal/mol for the total atomization energy of propyne to -9.05 kcal/mol for the double ionization of Mg. Evaluation of the ɛCV-DFT(ρc, ρv) functional requires less time than a single SCF iteration, and the accuracy is adequate for any model chemistry based on the CCSD(T) level of theory.

  1. Neuromuscular adaptations and correlates of knee functionality following ACL reconstruction.

    PubMed

    Bryant, Adam L; Kelly, Jason; Hohmann, Erik

    2008-01-01

    The objective of this research was to examine the dynamic restraint mechanism by establishing the neuromuscular characteristics of lower extremity muscles in anterior cruciate ligament reconstruction (ACLR) subjects. This study also investigated neuromuscular variables that relate to post-ACLR functional outcome. Thirteen patients having undergone ACLR using the bone patella tendon bone graft at least 6 months prior participated in this study. Knee functionality (0- to 100-point scale) was rated using the Cincinnati Knee Rating System. The median frequency of the electromyographic (EMG) recordings from the vastus medialis (VM) and vastus lateralis (VL) muscles together with the isokinetic quadriceps torque generated in 10 degrees intervals between 80 degrees and 10 degrees knee flexion was determined for the noninvolved and involved limbs. Lower limb musculotendinous stiffness was also assessed for the noninvolved and involved limbs. Limb symmetry indexes were calculated for each of the physiological measures. Compared to the noninvolved limb, the median frequency of the EMG from the involved limb VM and VL muscles was significantly lower as was the quadriceps torque generated at the seven knee flexion intervals. In contrast, musculotendinous stiffness was significantly higher in the involved lower limb compared to the noninvolved limb. Significant, moderate correlations were identified between knee functionality and symmetry indexes for all variables except for the isokinetic quadriceps torque produced between 80 degrees -70 degrees and 20 degrees -10 degrees knee flexion. More functional ACLR subjects demonstrated enhanced motor unit recruitment reflective of less quadriceps muscle fiber atrophy together with increased quadriceps strength and musculotendinous stiffness of the lower limb musculature.

  2. Construction of exchange-correlation functionals through interpolation between the non-interacting and the strong-correlation limit.

    PubMed

    Zhou, Yongxi; Bahmann, Hilke; Ernzerhof, Matthias

    2015-09-28

    Drawing on the adiabatic connection of density functional theory, exchange-correlation functionals of Kohn-Sham density functional theory are constructed which interpolate between the extreme limits of the electron-electron interaction strength. The first limit is the non-interacting one, where there is only exchange. The second limit is the strong correlated one, characterized as the minimum of the electron-electron repulsion energy. The exchange-correlation energy in the strong-correlation limit is approximated through a model for the exchange-correlation hole that is referred to as nonlocal-radius model [L. O. Wagner and P. Gori-Giorgi, Phys. Rev. A 90, 052512 (2014)]. Using the non-interacting and strong-correlated extremes, various interpolation schemes are presented that yield new approximations to the adiabatic connection and thus to the exchange-correlation energy. Some of them rely on empiricism while others do not. Several of the proposed approximations yield the exact exchange-correlation energy for one-electron systems where local and semi-local approximations often fail badly. Other proposed approximations generalize existing global hybrids by using a fraction of the exchange-correlation energy in the strong-correlation limit to replace an equal fraction of the semi-local approximation to the exchange-correlation energy in the strong-correlation limit. The performance of the proposed approximations is evaluated for molecular atomization energies, total atomic energies, and ionization potentials. PMID:26428992

  3. Construction of exchange-correlation functionals through interpolation between the non-interacting and the strong-correlation limit

    SciTech Connect

    Zhou, Yongxi; Ernzerhof, Matthias; Bahmann, Hilke

    2015-09-28

    Drawing on the adiabatic connection of density functional theory, exchange-correlation functionals of Kohn-Sham density functional theory are constructed which interpolate between the extreme limits of the electron-electron interaction strength. The first limit is the non-interacting one, where there is only exchange. The second limit is the strong correlated one, characterized as the minimum of the electron-electron repulsion energy. The exchange-correlation energy in the strong-correlation limit is approximated through a model for the exchange-correlation hole that is referred to as nonlocal-radius model [L. O. Wagner and P. Gori-Giorgi, Phys. Rev. A 90, 052512 (2014)]. Using the non-interacting and strong-correlated extremes, various interpolation schemes are presented that yield new approximations to the adiabatic connection and thus to the exchange-correlation energy. Some of them rely on empiricism while others do not. Several of the proposed approximations yield the exact exchange-correlation energy for one-electron systems where local and semi-local approximations often fail badly. Other proposed approximations generalize existing global hybrids by using a fraction of the exchange-correlation energy in the strong-correlation limit to replace an equal fraction of the semi-local approximation to the exchange-correlation energy in the strong-correlation limit. The performance of the proposed approximations is evaluated for molecular atomization energies, total atomic energies, and ionization potentials.

  4. Modeling the Galaxy Three-Point Correlation Function

    SciTech Connect

    Marin, Felipe; Wechsler, Risa; Frieman, Joshua A.; Nichol, Robert; /Portsmouth U., ICG

    2007-06-05

    We present new theoretical predictions for the galaxy three-point correlation function (3PCF) using high-resolution dissipationless cosmological simulations of a flat Lambda CDM Universe which resolve galaxy-size halos and subhalos. We create realistic mock galaxy catalogs by assigning luminosities and colors to dark matter halos and subhalos, and we measure the reduced 3PCF as a function of luminosity and color in both real and redshift space. As galaxy luminosity and color are varied, we find small differences in the amplitude and shape dependence of the reduced 3PCF, at a level qualitatively consistent with recent measurements from the SDSS and 2dFGRS. We confirm that discrepancies between previous 3PCF measurements can be explained in part by differences in binning choices. We explore the degree to which a simple local bias model can fit the simulated 3PCF. The agreement between the model predictions and galaxy 3PCF measurements lends further credence to the straightforward association of galaxies with CDM halos and subhalos.

  5. Temporal discrimination, a cervical dystonia endophenotype: penetrance and functional correlates.

    PubMed

    Kimmich, Okka; Molloy, Anna; Whelan, Robert; Williams, Laura; Bradley, David; Balsters, Joshua; Molloy, Fiona; Lynch, Tim; Healy, Daniel G; Walsh, Cathal; O'Riordan, Seán; Reilly, Richard B; Hutchinson, Michael

    2014-05-01

    The pathogenesis of adult-onset primary dystonia remains poorly understood. There is variable age-related and gender-related expression of the phenotype, the commonest of which is cervical dystonia. Endophenotypes may provide insight into underlying genetic and pathophysiological mechanisms of dystonia. The temporal discrimination threshold (TDT)-the shortest time interval at which two separate stimuli can be detected as being asynchronous-is abnormal both in patients with cervical dystonia and in their unaffected first-degree relatives. Functional magnetic resonance imaging (fMRI) studies have shown that putaminal activation positively correlates with the ease of temporal discrimination between two stimuli in healthy individuals. We hypothesized that abnormal temporal discrimination would exhibit similar age-related and gender-related penetrance as cervical dystonia and that unaffected relatives with an abnormal TDT would have reduced putaminal activation during a temporal discrimination task. TDTs were examined in a group of 192 healthy controls and in 158 unaffected first-degree relatives of 84 patients with cervical dystonia. In 24 unaffected first-degree relatives, fMRI scanning was performed during a temporal discrimination task. The prevalence of abnormal TDTs in unaffected female relatives reached 50% after age 48 years; whereas, in male relatives, penetrance of the endophenotype was reduced. By fMRI, relatives who had abnormal TDTs, compared with relatives who had normal TDTs, had significantly less activation in the putamina and in the middle frontal and precentral gyri. Only the degree of reduction of putaminal activity correlated significantly with worsening of temporal discrimination. These findings further support abnormal temporal discrimination as an endophenotype of cervical dystonia involving disordered basal ganglia circuits.

  6. Recovering refractive index correlation function from measurement of tissue scattering phase function (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Rogers, Jeremy D.

    2016-03-01

    Numerous methods have been developed to quantify the light scattering properties of tissue. These properties are of interest in diagnostic and screening applications due to sensitivity to changes in tissue ultrastructure and changes associated with disease such as cancer. Tissue is considered a weak scatterer because that the mean free path is much larger than the correlation length. When this is the case, all scattering properties can be calculated from the refractive index correlation function Bn(r). Direct measurement of Bn(r) is challenging because it requires refractive index measurement at high resolution over a large tissue volume. Instead, a model is usually assumed. One particularly useful model, the Whittle-Matern function includes several realistic function types such as mass fractal and exponential. Optical scattering properties for weakly scattering media can be determined analytically from Bn(r) by applying the Rayleigh-Gans-Debye (RGD) or Born Approximation, and so measured scattering properties are used to fit parameters of the model function. Direct measurement of Bn(r) would provide confirmation that the function is a good representation of tissue or help in identifying the length scale at which changes occur. The RGD approximation relates the scattering phase function to the refractive index correlation function through a Fourier transform. This can be inverted without approximation, so goniometric measurement of the scattering can be converted to Bn(r). However, geometric constraints of the measurement of the phase function, angular resolution, and wavelength result in a band limited measurement of Bn(r). These limits are discussed and example measurements are described.

  7. Correlation functions in liquids and crystals: free-energy functional and liquid-to-crystal transition.

    PubMed

    Bharadwaj, Atul S; Singh, Swarn L; Singh, Yashwant

    2013-08-01

    A free-energy functional for a crystal that contains both the symmetry-conserved and symmetry-broken parts of the direct pair-correlation function has been used to investigate the crystallization of fluids in three dimensions. The symmetry-broken part of the direct pair-correlation function has been calculated using a series in ascending powers of the order parameters and which contains three- and higher-body direct correlation functions of the isotropic phase. It is shown that a very accurate description of freezing transitions for a wide class of potentials is found by considering the first two terms of this series. The results found for freezing parameters including the structure of the frozen phase for fluids interacting via the inverse power potential u(r)=ε(σ/r)(n) for n ranging from 4 to ∞ are in very good agreement with simulation results. It is found that for n>6.5 the fluid freezes into a face-centered cubic (fcc) structure while for n≤6 the body-centered cubic (bcc) structure is preferred. The fluid-bcc-fcc triple point is found to be at 1/n=0.158, which is in good agreement with simulation result. PMID:24032780

  8. Proton-Λ correlation functions at energies available at the CERN Large Hadron Collider taking into account residual correlations

    NASA Astrophysics Data System (ADS)

    Shapoval, V. M.; Sinyukov, Yu. M.; Naboka, V. Yu.

    2015-10-01

    The theoretical analysis of the p ¯-Λ ⊕p -Λ ¯ correlation function in 10% most central Au+Au collisions at Relativistic Heavy Ion Collider (RHIC) energy √{sNN}=200 GeV shows that the contribution of residual correlations is a necessary factor for obtaining a satisfactory description of the experimental data. Neglecting the residual correlation effect leads to an unrealistically low source radius, about 2 times smaller than the corresponding value for p -Λ ⊕p ¯-Λ ¯ case, when one fits the experimental correlation function within Lednický-Lyuboshitz analytical model. Recently an approach that accounts effectively for residual correlations for the baryon-antibaryon correlation function was proposed, and a good RHIC data description was reached with the source radius extracted from the hydrokinetic model (HKM). The p ¯-Λ scattering length, as well as the parameters characterizing the residual correlation effect—annihilation dip amplitude and its inverse width—were extracted from the corresponding fit. In this paper we use these extracted values and simulated in HKM source functions for Pb+Pb collisions at the LHC energy √{sNN}=2.76 TeV to predict the corresponding p Λ and p Λ ¯ correlation functions.

  9. On soft limits of large-scale structure correlation functions

    NASA Astrophysics Data System (ADS)

    Ben-Dayan, Ido; Konstandin, Thomas; Porto, Rafael A.; Sagunski, Laura

    2015-02-01

    We study soft limits of correlation functions for the density and velocity fields in the theory of structure formation. First, we re-derive the (resummed) consistency conditions at unequal times using the eikonal approximation. These are solely based on symmetry arguments and are therefore universal. Then, we explore the existence of equal-time relations in the soft limit which, on the other hand, depend on the interplay between soft and hard modes. We scrutinize two approaches in the literature: the time-flow formalism, and a background method where the soft mode is absorbed into a locally curved cosmology. The latter has been recently used to set up (angular averaged) `equal-time consistency relations'. We explicitly demonstrate that the time-flow relations and `equal-time consistency conditions' are only fulfilled at the linear level, and fail at next-to-leading order for an Einstein de-Sitter universe. While applied to the velocities both proposals break down beyond leading order, we find that the `equal-time consistency conditions' quantitatively approximates the perturbative results for the density contrast. Thus, we generalize the background method to properly incorporate the effect of curvature in the density and velocity fluctuations on short scales, and discuss the reasons behind this discrepancy. We conclude with a few comments on practical implementations and future directions.

  10. Integrable dissipative exclusion process: Correlation functions and physical properties

    NASA Astrophysics Data System (ADS)

    Crampe, N.; Ragoucy, E.; Rittenberg, V.; Vanicat, M.

    2016-09-01

    We study a one-parameter generalization of the symmetric simple exclusion process on a one-dimensional lattice. In addition to the usual dynamics (where particles can hop with equal rates to the left or to the right with an exclusion constraint), annihilation and creation of pairs can occur. The system is driven out of equilibrium by two reservoirs at the boundaries. In this setting the model is still integrable: it is related to the open XXZ spin chain through a gauge transformation. This allows us to compute the full spectrum of the Markov matrix using Bethe equations. We also show that the stationary state can be expressed in a matrix product form permitting to compute the multipoints correlation functions as well as the mean value of the lattice and the creation-annihilation currents. Finally, the variance of the lattice current is computed for a finite-size system. In the thermodynamic limit, it matches the value obtained from the associated macroscopic fluctuation theory.

  11. Atlas-based diffusion tensor imaging correlates of executive function

    PubMed Central

    Nowrangi, Milap A.; Okonkwo, Ozioma; Lyketsos, Constantine; Oishi, Kenichi; Mori, Susumu; Albert, Marilyn; Mielke, Michelle M.

    2015-01-01

    Impairment in executive function (EF) is commonly found in Alzheimer’s Dementia (AD) and Mild Cognitive Impairment (MCI). Atlas-based Diffusion Tensor Imaging (DTI) methods may be useful in relating regional integrity to EF measures in MCI and AD. 66 participants (25 NC, 22 MCI, and 19 AD) received DTI scans and clinical evaluation. DTI scans were applied to a pre-segmented atlas and fractional anisotropy (FA) and mean diffusivity (MD) were calculated. ANOVA was used to assess group differences in frontal, parietal, and cerebellar regions. For regions differing between groups (p<0.01), linear regression examined the relationship between EF scores and regional FA and MD. Anisotropy and diffusivity in frontal and parietal lobe white matter (WM) structures were associated with EF scores in MCI and only frontal lobe structures in AD. EF was more strongly associated with FA than MD. The relationship between EF and anisotropy and diffusivity was strongest in MCI. These results suggest that regional WM integrity is compromised in MCI and AD and that FA may be a better correlate of EF than MD. PMID:25318544

  12. Towards a Density Functional Theory Exchange-Correlation Functional able to describe localization/delocalization

    NASA Astrophysics Data System (ADS)

    Mattsson, Ann E.; Wills, John M.

    2013-03-01

    The inability to computationally describe the physics governing the properties of actinides and their alloys is the poster child of failure of existing Density Functional Theory exchange-correlation functionals. The intricate competition between localization and delocalization of the electrons, present in these materials, exposes the limitations of functionals only designed to properly describe one or the other situation. We will discuss the manifestation of this competition in real materials and propositions on how to construct a functional able to accurately describe properties of these materials. I addition we will discuss both the importance of using the Dirac equation to describe the relativistic effects in these materials, and the connection to the physics of transition metal oxides. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  13. The time correlation function perspective of NMR relaxation in proteins

    NASA Astrophysics Data System (ADS)

    Shapiro, Yury E.; Meirovitch, Eva

    2013-08-01

    We applied over a decade ago the two-body coupled-rotator slowly relaxing local structure (SRLS) approach to NMR relaxation in proteins. One rotator is the globally moving protein and the other rotator is the locally moving probe (spin-bearing moiety, typically the 15N-1H bond). So far we applied SRLS to 15N-H relaxation from seven different proteins within the scope of the commonly used data-fitting paradigm. Here, we solve the SRLS Smoluchowski equation using typical best-fit parameters as input, to obtain the corresponding generic time correlation functions (TCFs). The following new information is obtained. For actual rhombic local ordering and main ordering axis pointing along C_{i - 1}^α - C_i^α, the measurable TCF is dominated by the (K,K') = (-2,2), (2,2), and (0,2) components (K is the order of the rank 2 local ordering tensor), determined largely by the local motion. Global diffusion axiality affects the analysis significantly when the ratio between the parallel and perpendicular components exceeds approximately 1.5. Local diffusion axiality has a large and intricate effect on the analysis. Mode-coupling becomes important when the ratio between the global and local motional rates falls below 0.01. The traditional method of analysis - model-free (MF) - represents a simple limit of SRLS. The conditions under which the MF and SRLS TCFs are the same are specified. The validity ranges of wobble-in-a-cone and rotation on the surface of a cone as local motions are determined. The evolution of the intricate Smoluchowski operator from the simple diffusion operator for a sphere reorienting in isotropic medium is delineated. This highlights the fact that SRLS is an extension of the established stochastic theories for treating restricted motions. This study lays the groundwork for TCF-based comparison between mesoscopic SRLS and atomistic molecular dynamics.

  14. Conformal Window and Correlation Functions in Lattice Conformal QCD

    NASA Astrophysics Data System (ADS)

    Iwasaki, Y.

    We discuss various aspects of Conformal Field Theories on the Lattice. We mainly investigate the SU(3) gauge theory with Nf degenerate fermions in the fundamental representation, employing the one-plaquette gauge action and the Wilson fermion action. First we make a brief review of our previous works on the phase structure of lattice gauge theories in terms of the gauge coupling constant and the quark mass. We thereby clarify the reason why we conjecture that the conformal window is 7 ≤ Nf ≤ 16. Secondly, we introduce a new concept, "conformal theories with IR cutof" and point out that any numerical simulation on a lattice is bounded by an IR cutoff ∧IR. Then we make predictions that when Nf is within the conformal window, the propagator of a meson G(t) behaves at large t, as G(t) = c exp (-mHt)/tα, that is, a modified Yukawa-type decay form, instead of the usual exponential decay form exp (-mHt), in the small quark mass region. This holds on an any lattice for any coupling constant g, as far as g is between 0 and g*, where g* is the IR fixed point. We verify that numerical results really satisfy the predictions for the Nf = 7 case and the Nf = 16 case. Thirdly, we discuss small number of flavors (Nf = 2 ˜ 6) QCD at finite temperatures. We point out theoretically and verify numerically that the correlation functions at T/Tc > 1 exhibit the characteristics of the conformal function with IR cutoff, an exponential decay with power correction. Investigating our numerical data by a new method which we call the "local-analysis" of propagators, we observe that the Nf = 7 case and the Nf = 2 at T ˜ 2Tc case are similar to each other, while the Nf = 16 case and the Nf = 2 at T = 102 ˜ 105Tc cases are similar to each other. Further, we observe our data are consistent with the picture that the Nf = 7 case and the Nf = 2 at T ˜ 2Tc case are close to the meson unparticle model. On the other hand, the Nf = 16 case and the Nf = 2 at T = 102 ˜ 105Tc cases are close to

  15. Analyzing correlation functions with tesseral and Cartesian spherical harmonics

    SciTech Connect

    Danielewicz, Pawel; Pratt, Scott

    2007-03-15

    The dependence of interparticle correlations on the orientation of particle relative momentum can yield unique information on the space-time features of emission in reactions with multiparticle final states. In the present paper, the benefits of a representation and analysis of the three-dimensional correlation information in terms of surface spherical harmonics is presented. The harmonics include the standard complex tesseral harmonics and the real Cartesian harmonics. Mathematical properties of the lesser known Cartesian harmonics are illuminated. The physical content of different angular harmonic components in a correlation is described. The resolving power of different final-state effects with regard to determining angular features of emission regions is investigated. The considered final-state effects include identity interference, strong interactions, and Coulomb interactions. The correlation analysis in terms of spherical harmonics is illustrated with the cases of Gaussian and blast-wave sources for proton-charged meson and baryon-baryon pairs.

  16. An optimum approximation of n-point correlation functions of random heterogeneous material systems

    SciTech Connect

    Baniassadi, M.; Garmestani, H.; Ahzi, S.; Remond, Y.

    2014-02-21

    An approximate solution for n-point correlation functions is developed in this study. In the approximate solution, weight functions are used to connect subsets of (n-1)-point correlation functions to estimate the full set of n-point correlation functions. In previous related studies, simple weight functions were introduced for the approximation of three and four-point correlation functions. In this work, the general framework of the weight functions is extended and derived to achieve optimum accuracy for approximate n-point correlation functions. Such approximation can be utilized to construct global n-point correlation functions for a system when there exist limited information about these functions in a subset of space. To verify its accuracy, the new formulation is used to approximate numerically three-point correlation functions from the set of two-point functions directly evaluated from a virtually generated isotropic heterogeneous microstructure representing a particulate composite system. Similarly, three-point functions are approximated for an anisotropic glass fiber/epoxy composite system and compared to their corresponding reference values calculated from an experimental dataset acquired by computational tomography. Results from both virtual and experimental studies confirm the accuracy of the new approximation. The new formulation can be utilized to attain a more accurate approximation to global n-point correlation functions for heterogeneous material systems with a hierarchy of length scales.

  17. The Course and Correlates of Everyday Functioning in Schizophrenia

    PubMed Central

    Reichenberg, Abraham; Feo, Concetta; Prestia, Davide; Bowie, Christopher R.; Patterson, Thomas L.; Harvey, Philip D.

    2014-01-01

    Previously institutionalized older patients with schizophrenia show changes in cognitive and functional capacity over time. This study examined changes in real-world functioning in a sample of people with schizophrenia who varied in their history of long-term institutionalization and related changes in real world functioning to changes in cognition and functional capacity over the follow-up period. Older patients with schizophrenia (n=111) were examined with assessments of cognitive functioning, functional capacity, clinical symptoms, and everyday functioning. They were then followed up to 45 months and examined up to two times. Mixed-model regression was used to examine changes in real-world functioning in social, everyday living, and vocational domains over the follow-up period and identify potential predictors of change. Everyday functioning worsened over time in all three domains. Although length of longest hospitalization predicted worsening, this influence was eliminated when the course of functional capacity was used to predict the course of everyday functioning. For both vocational and everyday living domains, as well as the composite score on functional status, worsening in performance based measures of everyday functioning and social competence predicted worsening in real world functioning. Changes in negative symptoms further predicted worsening in the everyday living domain. Worsening in everyday functioning is found in people with schizophrenia and those with a history of greater chronicity and severity of illness seem more affected. These influences seem to be expressed through worsening in the ability to perform everyday functional skills. Potential causes of these changes and implications for reducing these impairments are discussed. PMID:25045625

  18. Multifragment azimuthal correlation functions: Probes for reaction dynamics in collisions of intermediate energy heavy ions

    SciTech Connect

    Lacey, R.A.; Elmaani, A.; Lauret, J.; Li, T.; Bauer, W.; Craig, D.; Cronqvist, M.; Gualtieri, E.; Hannuschke, S.; Reposeur, T.; Vander Molen, A.; Westfall, G.D.; Wilson, W.K.; Winfield, J.S.; Yee, J.; Yennello, S.; Nadasen, A.; Tickle, R.S.; Norbeck, E. National Superconducting Cyclotron Laboratory Department of Physics, Michigan State University, East Lansing, Michigan 48824-1321 Department of Physics, University of Michigan at Dearborn, Dearborn, Michigan 48128 Department of Physics, University of Michigan, Ann Arbor, Michigan 48109-1120 Department of Physics, University of Iowa, Iowa City, Iowa 52242 )

    1993-03-01

    Multifragment azimuthal correlation functions have been measured as a function of beam energy and impact parameter for the Ar+Sc system ([ital E]/[ital A]=35 to 115 MeV). The observed azimuthal correlation functions---which do not require corrections for dispersion of the reaction plane---exhibit strong asymmetries which are dependent on impact parameter and beam energy. Rotational collective motion and flow seem to dominate the correlation functions at low beam energies. It is proposed that multifragment azimuthal correlation functions can provide a useful probe for intermediate energy heavy ion reaction dynamics.

  19. Estimation of purity in terms of correlation functions

    NASA Astrophysics Data System (ADS)

    Prosen, Tomaž; Seligman, Thomas H.; Žnidarič, Marko

    2003-06-01

    We prove a rigorous inequality that estimates the purity of a reduced density matrix of a composite quantum system in terms of cross correlation of the same state and an arbitrary product state. Various immediate applications of our result are proposed, in particular, concerning Gaussian wave-packet propagation under classically regular dynamics.

  20. Correlated wave functions for three-particle systems with Coulomb interaction - The muonic helium atom

    NASA Technical Reports Server (NTRS)

    Huang, K.-N.

    1977-01-01

    A computational procedure for calculating correlated wave functions is proposed for three-particle systems interacting through Coulomb forces. Calculations are carried out for the muonic helium atom. Variational wave functions which explicitly contain interparticle coordinates are presented for the ground and excited states. General Hylleraas-type trial functions are used as the basis for the correlated wave functions. Excited-state energies of the muonic helium atom computed from 1- and 35-term wave functions are listed for four states.

  1. Development of Colle-Salvetti type electron-nucleus correlation functional for MC-DFT

    SciTech Connect

    Udagawa, Taro; Tsuneda, Takao; Tachikawa, Masanori

    2015-12-31

    A Colle-Salvetti type electron-nucleus correlation functional for multicomponent density-functional theory is proposed. We demonstrate that our correlation functional quantitatively reproduces the quantum nuclear effects of protons; the mean absolute deviation value is 2.8 millihartrees for the optimized structure of hydrogen-containing molecules. We also show other practical calculations with our new electron-deuteron and electron-triton correlation functionals. Since this functional is derived without any unphysical assumption, the strategy taken in this development will be a promising recipe to make new functionals for the potentials of other particles’ interactions.

  2. Development of Colle-Salvetti type electron-nucleus correlation functional for MC_DFT

    NASA Astrophysics Data System (ADS)

    Udagawa, Taro; Tsuneda, Takao; Tachikawa, Masanori

    2015-12-01

    A Colle-Salvetti type electron-nucleus correlation functional for multicomponent density-functional theory is proposed. We demonstrate that our correlation functional quantitatively reproduces the quantum nuclear effects of protons; the mean absolute deviation value is 2.8 millihartrees for the optimized structure of hydrogen-containing molecules. We also show other practical calculations with our new electron-deuteron and electron-triton correlation functionals. Since this functional is derived without any unphysical assumption, the strategy taken in this development will be a promising recipe to make new functionals for the potentials of other particles' interactions.

  3. A canonical correlation neural network for multicollinearity and functional data.

    PubMed

    Gou, Zhenkun; Fyfe, Colin

    2004-03-01

    We review a recent neural implementation of Canonical Correlation Analysis and show, using ideas suggested by Ridge Regression, how to make the algorithm robust. The network is shown to operate on data sets which exhibit multicollinearity. We develop a second model which not only performs as well on multicollinear data but also on general data sets. This model allows us to vary a single parameter so that the network is capable of performing Partial Least Squares regression (at one extreme) to Canonical Correlation Analysis (at the other)and every intermediate operation between the two. On multicollinear data, the parameter setting is shown to be important but on more general data no particular parameter setting is required. Finally, we develop a second penalty term which acts on such data as a smoother in that the resulting weight vectors are much smoother and more interpretable than the weights without the robustification term. We illustrate our algorithms on both artificial and real data.

  4. Structural properties of prokaryotic promoter regions correlate with functional features.

    PubMed

    Meysman, Pieter; Collado-Vides, Julio; Morett, Enrique; Viola, Roberto; Engelen, Kristof; Laukens, Kris

    2014-01-01

    The structural properties of the DNA molecule are known to play a critical role in transcription. In this paper, the structural profiles of promoter regions were studied within the context of their diversity and their function for eleven prokaryotic species; Escherichia coli, Klebsiella pneumoniae, Salmonella Typhimurium, Pseudomonas auroginosa, Geobacter sulfurreducens Helicobacter pylori, Chlamydophila pneumoniae, Synechocystis sp., Synechoccocus elongates, Bacillus anthracis, and the archaea Sulfolobus solfataricus. The main anchor point for these promoter regions were transcription start sites identified through high-throughput experiments or collected within large curated databases. Prokaryotic promoter regions were found to be less stable and less flexible than the genomic mean across all studied species. However, direct comparison between species revealed differences in their structural profiles that can not solely be explained by the difference in genomic GC content. In addition, comparison with functional data revealed that there are patterns in the promoter structural profiles that can be linked to specific functional loci, such as sigma factor regulation or transcription factor binding. Interestingly, a novel structural element clearly visible near the transcription start site was found in genes associated with essential cellular functions and growth in several species. Our analyses reveals the great diversity in promoter structural profiles both between and within prokaryotic species. We observed relationships between structural diversity and functional features that are interesting prospects for further research to yet uncharacterized functional loci defined by DNA structural properties.

  5. Theory for long time polymer and protein dynamics: Basis functions and time correlation functions

    NASA Astrophysics Data System (ADS)

    Tang, Wilfred H.; Chang, Xiao-yan; Freed, Karl F.

    1995-12-01

    We develop methods for alleviating the major impediment in the extension to larger and more complex systems of our matrix method theory for describing the long time dynamics of flexible polymers and proteins in solution. This impediment is associated with the enormous growth in size of the required basis set with the addition of higher order mode coupling basis functions, which are needed to describe the influence on the dynamics of the ``internal friction,'' or equivalently of the memory function matrices. We use the first order eigenfunctions (the generalized Rouse modes) to construct an approximate mode coupling basis. Specific applications are made to united atom models of alkanes with a white noise structureless solvent, where the theory is compared with Brownian dynamics simulations to provide a no-parameter stringent test of the theory. Good convergence is found to the full second order treatment with the new basis set whose size scales more nearly with the size of the system rather than the cube of the system with the previous full basis. These technical improvements enable us to test the need for third order contributions to the dynamics of the longer alkanes and to compute the orientational time correlation functions probed by fluorescence depolarization and NMR experiments. Additional symmetry considerations provide further reductions in the required basis set sizes.

  6. Development of an exchange-correlation functional with uncertainty quantification capabilities for density functional theory

    NASA Astrophysics Data System (ADS)

    Aldegunde, Manuel; Kermode, James R.; Zabaras, Nicholas

    2016-04-01

    This paper presents the development of a new exchange-correlation functional from the point of view of machine learning. Using atomization energies of solids and small molecules, we train a linear model for the exchange enhancement factor using a Bayesian approach which allows for the quantification of uncertainties in the predictions. A relevance vector machine is used to automatically select the most relevant terms of the model. We then test this model on atomization energies and also on bulk properties. The average model provides a mean absolute error of only 0.116 eV for the test points of the G2/97 set but a larger 0.314 eV for the test solids. In terms of bulk properties, the prediction for transition metals and monovalent semiconductors has a very low test error. However, as expected, predictions for types of materials not represented in the training set such as ionic solids show much larger errors.

  7. Anxiety symptoms and functional impairment: A systematic review of the correlation between the two measures.

    PubMed

    McKnight, Patrick E; Monfort, Samuel S; Kashdan, Todd B; Blalock, Dan V; Calton, Jenna M

    2016-04-01

    Researchers and clinicians assume a strong, positive correlation between anxiety symptoms and functional impairment. That assumption may be well-justified since diagnostic criteria typically include functional impairment. Still, the relationship remains largely unavailable in any systematic review. Our aim with this paper was to provide empirical evidence for this assumed relationship and to document the observed correlations between anxiety symptom measures and functional impairment measures. Correlations existed for symptoms of six anxiety disorders (Panic Disorder, Agoraphobia, Social Anxiety Disorder, Post-Traumatic Stress Disorder, Generalized Anxiety Disorder, Obsessive Compulsive Disorder) across four functional domains (global, social, occupational, and physical). Overall, the mean of 497 correlations across all disorders and functional domains was modest (r=.34); since the variability between disorders and functional domains tended to be rather large, we explored these correlations further. We presented these results and the potential explanations for unexpected findings along with the clinical and research implications. PMID:26953005

  8. Statistical functions and relevant correlation coefficients of clearness index

    NASA Astrophysics Data System (ADS)

    Pavanello, Diego; Zaaiman, Willem; Colli, Alessandra; Heiser, John; Smith, Scott

    2015-08-01

    This article presents a statistical analysis of the sky conditions, during years from 2010 to 2012, for three different locations: the Joint Research Centre site in Ispra (Italy, European Solar Test Installation - ESTI laboratories), the site of National Renewable Energy Laboratory in Golden (Colorado, USA) and the site of Brookhaven National Laboratories in Upton (New York, USA). The key parameter is the clearness index kT, a dimensionless expression of the global irradiance impinging upon a horizontal surface at a given instant of time. In the first part, the sky conditions are characterized using daily averages, giving a general overview of the three sites. In the second part the analysis is performed using data sets with a short-term resolution of 1 sample per minute, demonstrating remarkable properties of the statistical distributions of the clearness index, reinforced by a proof using fuzzy logic methods. Successively some time-dependent correlations between different meteorological variables are presented in terms of Pearson and Spearman correlation coefficients, and introducing a new one.

  9. Functional monitoring of blood flow dynamics in brain with photon correlation techniques

    NASA Astrophysics Data System (ADS)

    Parthasarathy, Ashwin B.; Gannon, Kimberly; Baker, Wesley B.; Kavuri, Venki; Mullen, Michael T.; Detre, John A.; Yodh, Arjun G.

    2016-03-01

    We introduce a new software correlator approach for continuous high-speed (up to 100 Hz) monitoring of blood flow dynamics with Diffuse Correlation Spectroscopy. The functionality of the high-speed software correlator is demonstrated with measurements of baseline blood flow dynamics. The utility of high-data-rate blood flow monitoring is demonstrated with measurements of cerebral autoregulation dynamics.

  10. Executive Functions after Age 5: Changes and Correlates

    ERIC Educational Resources Information Center

    Best, John R.; Miller, Patricia H.; Jones, Lara L.

    2009-01-01

    Research and theorizing on executive function (EF) in childhood has been disproportionately focused on preschool age children. This review paper outlines the importance of examining EF throughout childhood, and even across the lifespan. First, examining EF in older children can address the question of whether EF is a unitary construct. The…

  11. Disorders of Microtubule Function in Neurons: Imaging Correlates

    PubMed Central

    Mutch, Christopher A.; Poduri, Annapurdi; Sahin, Mustafa; Barry, Brenda; Walsh, Christopher A.; Barkovich, A. James

    2015-01-01

    Background and Significance A number of recent studies have described malformations of cortical development with mutations of components of microtubules and microtubule-associated proteins. Despite examinations of large numbers of MRIs, good phenotype-genotype correlations have been elusive. Additionally, most of these studies focused exclusively on cerebral cortical findings. Materials and Methods MRIs from18 patients with confirmed tubulin mutations (8 TUBA1A, 5 TUBB2B, and 5 TUBB3) and 15 patients with known mutations of the genes encoding microtubule-associated proteins (5 LIS1, 4 DCX, and 6 DYNC1H1) were carefully visually analyzed and compared. Specific note was made of cortical gyral pattern, basal ganglia and white matter to assess internal capsular size, cortical thickness, ventricular and cisternal size, and size and contours of the brain stem, cerebellar hemispheres and vermis, and the corpus callosum of patients with tubulin and microtubule-associated protein gene mutations. Results were determined by unanimous consensus of the authors. Results All patients had abnormal MRI scans. Large proportions of patients with tubulin gene mutations were found to have multiple cortical and subcortical abnormalities including microcephaly, ventriculomegaly, abnormal gyral and sulcal patterns (termed dysgyria), small or absent corpus callosum and small pons. All patients with microtubule-associated proteins mutations also had abnormal cerebral cortices (predominantly pachygyria and agyria), but fewer subcortical abnormalities were noted. Conclusion Comparison of MRIs from patients with known mutations of tubulin genes and microtubule-associated proteins allows for the establishment of some early correlations of phenotype with genotype and may assist in identification and diagnosis of these rare disorders. PMID:26564436

  12. Executive Functions after Age 5: Changes and Correlates

    PubMed Central

    Best, John R.; Miller, Patricia H.; Jones, Lara L.

    2009-01-01

    Research and theorizing on executive function (EF) in childhood has been disproportionately focused on preschool age children. This review paper outlines the importance of examining EF throughout childhood, and even across the lifespan. First, examining EF in older children can address the question of whether EF is a unitary construct. The relations among the EF components, particularly as they are recruited for complex tasks, appear to change over the course of development. Second, much of the development of EF, especially working memory, shifting, and planning, occurs after age 5. Third, important applications of EF research concern the role of school-age children’s EF in various aspects of school performance, as well as social functioning and emotional control. Future research needs to examine a more complete developmental span, from early childhood through late adulthood, in order to address developmental issues adequately. PMID:20161467

  13. Assessment of density-functional approximations: Long-range correlations and self-interaction effects

    SciTech Connect

    Jung, J.; Alvarellos, J.E.; Garcia-Gonzalez, P.; Godby, R.W.

    2004-05-01

    The complex nature of electron-electron correlations is made manifest in the very simple but nontrivial problem of two electrons confined within a sphere. The description of highly nonlocal correlation and self-interaction effects by widely used local and semilocal exchange-correlation energy density functionals is shown to be unsatisfactory in most cases. Even the best such functionals exhibit significant errors in the Kohn-Sham potentials and density profiles.

  14. Measurement of the space-time correlation function of thermal acoustic radiation

    NASA Astrophysics Data System (ADS)

    Passechnik, V. I.; Anosov, A. A.; Barabanenkov, Yu. N.; Sel'Sky, A. G.

    2003-09-01

    The space-time correlation function of thermal acoustic radiation pressure is measured for a stationary heated source (a narrow plasticine plate). The correlation dependence is obtained by the multiplication of two signals shifted in time with respect to each other and measured by two receivers. The dependence exhibits an oscillating behavior and changes sign when the source is displaced by half the spatial period of the correlation function.

  15. Hormonal regulation of alveolarization: structure-function correlation

    PubMed Central

    Garber, Samuel J; Zhang, Huayan; Foley, Joseph P; Zhao, Hengjiang; Butler, Stephan J; Godinez, Rodolfo I; Godinez, Marye H; Gow, Andrew J; Savani, Rashmin C

    2006-01-01

    Background Dexamethasone (Dex) limits and all-trans-retinoic acid (RA) promotes alveolarization. While structural changes resulting from such hormonal exposures are known, their functional consequences are unclear. Methods Neonatal rats were treated with Dex and/or RA during the first two weeks of life or were given RA after previous exposure to Dex. Morphology was assessed by light microscopy and radial alveolar counts. Function was evaluated by plethysmography at d13, pressure volume curves at d30, and exercise swim testing and arterial blood gases at both d15 and d30. Results Dex-treated animals had simplified lung architecture without secondary septation. Animals given RA alone had smaller, more numerous alveoli. Concomitant treatment with Dex + RA prevented the Dex-induced changes in septation. While the results of exposure to Dex + RA were sustained, the effects of RA alone were reversed two weeks after treatment was stopped. At d13, Dex-treated animals had increased lung volume, respiratory rate, tidal volume, and minute ventilation. On d15, both RA- and Dex-treated animals had hypercarbia and low arterial pH. By d30, the RA-treated animals resolved this respiratory acidosis, but Dex-treated animals continued to demonstrate blood gas and lung volume abnormalities. Concomitant RA treatment improved respiratory acidosis, but failed to normalize Dex-induced changes in pulmonary function and lung volumes. No differences in exercise tolerance were noted at either d15 or d30. RA treatment after the period of alveolarization also corrected the effects of earlier Dex exposure, but the structural changes due to RA alone were again lost two weeks after treatment. Conclusion We conclude that both RA- and corticosteroid-treatments are associated with respiratory acidosis at d15. While RA alone-induced changes in structure andrespiratory function are reversed, Dex-treated animals continue to demonstrate increased respiratory rate, minute ventilation, tidal and total lung

  16. High noise correlation between the functionally connected neurons in emergent V1 microcircuits.

    PubMed

    Bharmauria, Vishal; Bachatene, Lyes; Cattan, Sarah; Chanauria, Nayan; Rouat, Jean; Molotchnikoff, Stéphane

    2016-02-01

    Neural correlations (noise correlations and cross-correlograms) are widely studied to infer functional connectivity between neurons. High noise correlations between neurons have been reported to increase the encoding accuracy of a neuronal population; however, low noise correlations have also been documented to play a critical role in cortical microcircuits. Therefore, the role of noise correlations in neural encoding is highly debated. To this aim, through multi-electrodes, we recorded neuronal ensembles in the primary visual cortex of anaesthetized cats. By computing cross-correlograms, we divulged the functional network (microcircuit) between neurons within an ensemble in relation to a specific orientation. We show that functionally connected neurons systematically exhibit higher noise correlations than functionally unconnected neurons in a microcircuit that is activated in response to a particular orientation. Furthermore, the mean strength of noise correlations for the connected neurons increases steeply than the unconnected neurons as a function of the resolution window used to calculate noise correlations. We suggest that neurons that display high noise correlations in emergent microcircuits feature functional connections which are inevitable for information encoding in the primary visual cortex.

  17. Alexithymia in personality disorders: correlations with symptoms and interpersonal functioning.

    PubMed

    Nicolò, Giuseppe; Semerari, Antonio; Lysaker, Paul H; Dimaggio, Giancarlo; Conti, Laura; D'Angerio, Stefania; Procacci, Michele; Popolo, Raffaele; Carcione, Antonino

    2011-11-30

    Impairment in the ability to recognize and make sense of emotions has been hypothesized to be present in a sub-sample of people suffering from personality disorder (PD). In particular it is possible that difficulty recognizing and expressing feelings, or alexithymia, is related to many of the symptoms and problems in making sense of social interactions which are hallmarks of PD. In this study we measured levels of alexithymia with the Toronto Alexithymia Scale-20 and explored its correlations with the overall presence of PD and different PD diagnoses, symptoms, and interpersonal difficulties. Results were largely consistent with the hypothesis. Higher levels of alexithymia were related to high levels of global psychopathology and with dysfunctional representation of interpersonal relations. A sub-sample of patients, mostly suffering from avoidant, dependent, passive-aggressive and depressive PD, had alexithymic features and, in particular reported difficulties describing their feelings to others. A patient with cluster B PD featured no alexithymia. Implications of this study for future research and treatment are discussed.

  18. Patching the Exchange-Correlation Potential in Density Functional Theory.

    PubMed

    Huang, Chen

    2016-05-10

    A method for directly patching exchange-correlation (XC) potentials in materials is derived. The electron density of a system is partitioned into subsystem densities by dividing its Kohn-Sham (KS) potential among the subsystems. Inside each subsystem, its projected KS potential is required to become the total system's KS potential. This requirement, together with the nearsightedness principle of electronic matters, ensures that the electronic structures inside subsystems can be good approximations to the total system's electronic structure. The nearsightedness principle also ensures that subsystem densities could be well localized in their regions, making it possible to use high-level methods to invert the XC potentials for subsystem densities. Two XC patching methods are developed. In the local XC patching method, the total system's XC potential is improved in the cluster region. We show that the coupling between a cluster and its environment is important for achieving a fast convergence of the electronic structure in the cluster region. In the global XC patching method, we discuss how to patch the subsystem XC potentials to construct the XC potential in the total system, aiming to scale up high-level quantum mechanics simulations of materials. Proof-of-principle examples are given.

  19. Pair-correlation function of a metastable helium Bose-Einstein condensate

    SciTech Connect

    Zin, Pawel; Trippenbach, Marek; Gajda, Mariusz

    2004-02-01

    The pair-correlation function is one of the basic quantities to characterize the coherence properties of a Bose-Einstein condensate. We calculate this function in the experimentally important case of a zero temperature Bose-Einstein condensate in a metastable triplet helium state using the variational method with a pair-excitation ansatz. We compare our result with a pair-correlation function obtained for the hard-sphere potential with the same scattering length. Both functions are practically indistinguishable for distances greater than the scattering length. At smaller distances, due to interatomic interactions, the helium condensate shows strong correlations.

  20. Melanoma cell galectin-1 ligands functionally correlate with malignant potential*

    PubMed Central

    Yazawa, Erika M.; Geddes-Sweeney, Jenna E.; Cedeno-Laurent, Filiberto; Walley, Kempland C.; Barthel, Steven R.; Opperman, Matthew J.; Liang, Jennifer; Lin, Jennifer Y.; Schatton, Tobias; Laga, Alvaro C.; Mihm, Martin C.; Qureshi, Abrar A.; Widlund, Hans R.; Murphy, George F.; Dimitroff, Charles J.

    2015-01-01

    Galectin-1 (Gal-1)-binding to Gal-1 ligands on immune and endothelial cells can influence melanoma development through dampening anti-tumor immune responses and promoting angiogenesis. However, whether Gal-1 ligands are functionally expressed on melanoma cells to help control intrinsic malignant features remains poorly understood. Here, we analyzed expression, identity and function of Gal-1 ligands in melanoma progression. Immunofluorescent analysis of benign and malignant human melanocytic neoplasms revealed that Gal-1 ligands were abundant in severely-dysplastic nevi as well as in primary and metastatic melanomas. Biochemical assessments indicated that melanoma cell adhesion molecule (MCAM) was a major Gal-1 ligand on melanoma cells that was largely dependent on its N-glycans. Other melanoma cell Gal-1 ligand activity conferred by O-glycans was negatively regulated by α2,6 sialyltransferase ST6GalNAc2. In Gal-1-deficient mice, MCAM-silenced (MCAMKD) or ST6GalNAc2-overexpressing (ST6O/E) melanoma cells exhibited slower growth rates, underscoring a key role for melanoma cell Gal-1 ligands and host Gal-1 in melanoma growth. Further analysis of MCAMKD or ST6O/E melanoma cells in cell migration assays indicated that Gal-1 ligand-dependent melanoma cell migration was severely inhibited. These findings provide a refined perspective on Gal-1 – melanoma cell Gal-1 ligand interactions as contributors to melanoma malignancy. PMID:25756799

  1. Study on ADI CD bias correlating ABC function

    NASA Astrophysics Data System (ADS)

    Deng, Guogui; Hao, Jingan; Xing, Bin; Jiang, Yuntao; Li, Gaorong; Zhang, Qiang; Yue, Liwan; Zu, Yanlei; Hu, Huayong; Liu, Chang; Shen, Manhua; Zhang, Shijian; He, Weiming; Zhang, Nannan; Lin, Yi-Shih; Wu, Qiang; Shi, Xuelong

    2015-03-01

    As the technology node of semiconductor industry is being driven into more advanced 28 nm and beyond, the critical dimension (CD) error budget at after-development inspection (ADI) stage and its control are more and more important and difficult (1-4). 1 nm or even 0.5 nm CD difference is critical for process control. 0.5~1 nm drift of poly linewidth will result in a detectable off-target drift of device performance. The 0.5~1 nm CD drift of hole or metal linewidth on the backend interconnecting layers can potentially contribute to the bridging of metal patterns to vias, and thereby impact yield. In this paper, we studied one function in the scanning electron microscope (SEM) measurement, i.e. the adjustment of brightness and contrast (ABC). We revealed how the step of addressing focus and even the choice of addressing pattern may bring in a systematic error into the CD measurement. This provides a unique insight in the CD measurement and the measurement consistency of through-pitch (TP) patterns and functional patterns.

  2. Effect of the 3-Point Line Change on the Game Dynamics in Girls' Minibasketball

    ERIC Educational Resources Information Center

    Arias, Jose L.; Argudo, Francisco M.; Alonso, Jose I.

    2009-01-01

    We examined the game dynamics in minibasketball when comparing two different forms of the 3-point line. During the first competition, participants used a 3-point line delimited by the free-throw lane, and 1,642 ball possessions were recorded. During the second competition, participants played with a 3-point line delimited by a rectangular area,…

  3. Cluster pair correlation function of simple fluids: energetic connectivity criteria.

    PubMed

    Pugnaloni, Luis A; Zarragoicoechea, Guillermo J; Vericat, Fernando

    2006-11-21

    We consider the clustering of Lennard-Jones particles by using an energetic connectivity criterion proposed long ago by Hill [J. Chem. Phys. 32, 617 (1955)] for the bond between pairs of particles. The criterion establishes that two particles are bonded (directly connected) if their relative kinetic energy is less than minus their relative potential energy. Thus, in general, it depends on the direction as well as on the magnitude of the velocities and positions of the particles. An integral equation for the pair connectedness function, proposed by two of the authors [Phys. Rev. E 61, R6067 (2000)], is solved for this criterion and the results are compared with those obtained from molecular dynamics simulations and from a connectedness Percus-Yevick-type integral equation for a velocity-averaged version of Hill's energetic criterion.

  4. The correlation function for density perturbations in an expanding universe. II - Nonlinear theory

    NASA Technical Reports Server (NTRS)

    Mcclelland, J.; Silk, J.

    1977-01-01

    A formalism is developed to find the two-point and higher-order correlation functions for a given distribution of sizes and shapes of perturbations which are randomly placed in three-dimensional space. The perturbations are described by two parameters such as central density and size, and the two-point correlation function is explicitly related to the luminosity function of groups and clusters of galaxies

  5. Monotonically increasing functions of any quantum correlation can make all multiparty states monogamous

    SciTech Connect

    Salini, K.; Prabhu, R.; Sen, Aditi; Sen, Ujjwal

    2014-09-15

    Monogamy of quantum correlation measures puts restrictions on the sharability of quantum correlations in multiparty quantum states. Multiparty quantum states can satisfy or violate monogamy relations with respect to given quantum correlations. We show that all multiparty quantum states can be made monogamous with respect to all measures. More precisely, given any quantum correlation measure that is non-monogamic for a multiparty quantum state, it is always possible to find a monotonically increasing function of the measure that is monogamous for the same state. The statement holds for all quantum states, whether pure or mixed, in all finite dimensions and for an arbitrary number of parties. The monotonically increasing function of the quantum correlation measure satisfies all the properties that are expected for quantum correlations to follow. We illustrate the concepts by considering a thermodynamic measure of quantum correlation, called the quantum work deficit.

  6. The intrapair electron correlation in natural orbital functional theory

    SciTech Connect

    Piris, M.; Matxain, J. M.; Lopez, X.

    2013-12-21

    A previously proposed [M. Piris, X. Lopez, F. Ruipérez, J. M. Matxain, and J. M. Ugalde, J. Chem. Phys. 134, 164102 (2011)] formulation of the two-particle cumulant, based on an orbital-pairing scheme, is extended here for including more than two natural orbitals. This new approximation is used to reconstruct the two-particle reduced density matrix (2-RDM) constrained to the D, Q, and G positivity necessary conditions of the N-representable 2-RDM. In this way, we have derived an extended version of the Piris natural orbital functional 5 (PNOF5e). An antisymmetrized product of strongly orthogonal geminals with the expansion coefficients explicitly expressed by the occupation numbers is also used to generate the PNOF5e. The theory is applied to the homolytic dissociation of selected diatomic molecules: H{sub 2}, LiH, and Li{sub 2}. The Bader's theory of atoms in molecules is used to analyze the electron density and the presence of non-nuclear maxima in the case of a set of light atomic clusters: Li{sub 2}, Li {sub 3}{sup +}, Li {sub 4}{sup 2+}, and H{sub 3}{sup +}. The improvement of PNOF5e over PNOF5 was observed by visualizing the electron densities.

  7. Physical rehabilitation of paralysed facial muscles: functional and morphological correlates.

    PubMed

    Angelov, Doychin N

    2011-01-01

    Using a combined morphofunctional approach, we recently found that polyinnervation of the neuromuscular junction (NMJ) is the critical factor for recovery of function after transection and suture of the facial nerve. Since polyinnervation is activity-dependent and can be manipulated, we tried to design a clinically feasible therapy by electrical stimulation or by soft tissue massage. First, electrical stimulation was applied to the transected facial nerve or to paralyzed facial muscles. Both procedures did not improve vibrissal motor performance (video-based motion analysis of whisking), failed to diminish polyinnervation, and even reduced the number of innervated NMJ to one-fifth of normal values. In contrast, gentle stroking of the paralyzed vibrissal muscles by hand resulted in full recovery of whisking. Manual stimulation depended on the intact sensory supply of the denervated muscle targets and was also effective after hypoglossal-facial anastomosis, after interpositional nerve grafting, when applied to the orbicularis oculi muscle and after transection and suture of the hypoglossal nerve. From these results, we conclude that manual stimulation is a noninvasive procedure with immediate potential for clinical rehabilitation following facial nerve reconstruction.

  8. On the Correlation Functions of the Characteristic Polynomials of the Sparse Hermitian Random Matrices

    NASA Astrophysics Data System (ADS)

    Afanasiev, Ie.

    2016-04-01

    We consider asymptotics of the correlation functions of characteristic polynomials corresponding to random weighted G(n, p/n) Erdős-Rényi graphs with Gaussian weights in the case of finite p and also when p rightarrow infty . It is shown that for finite p the second correlation function demonstrates a kind of transition: when p < 2 it factorizes in the limit n rightarrow infty , while for p > 2 there appears an interval (-λ _*(p), λ _*(p)) such that for λ _0 in (-λ _*(p), λ _*(p)) the second correlation function behaves like that for Gaussian unitary ensemble (GUE), while for λ _0 outside the interval the second correlation function is still factorized. For p rightarrow infty there is also a threshold in the behavior of the second correlation function near λ _0 = ± 2: for p ≪ n^{2/3} the second correlation function factorizes, whereas for p ≫ n^{2/3} it behaves like that for GUE. For any rate of p rightarrow infty the asymptotics of correlation functions of any even order for λ _0 in (-2, 2) coincide with that for GUE.

  9. A model study of np tensor correlation effects on the electron scattering response functions

    NASA Astrophysics Data System (ADS)

    Leidemann, W.; Orlandini, G.

    1990-01-01

    The role played by np tensor correlations in the longitudinal and transverse response functions is investigated in the quasi-free region. A model is proposed where the response in plane-wave impulse approximation is modified by introducing responses of strongly correlated deuteron-like pairs. Various pair correlations are studied. The introduction of the pair responses does not lead to a violation of the Coulomb- and the f-sum rules. The results show that tensor correlations shift the strength from the quasi-elastic peak towards higher energy. The additional contributions of meson exchange and isobar currents in the transverse channel can compensate the quenching due to correlations.

  10. Correlation functions of scattering matrix elements in microwave cavities with strong absorption

    NASA Astrophysics Data System (ADS)

    Schäfer, R.; Gorin, T.; Seligman, T. H.; Stöckmann, H.-J.

    2003-03-01

    The scattering matrix was measured for microwave cavities with two antennae. It was analysed in the regime of overlapping resonances. The theoretical description in terms of a statistical scattering matrix and the rescaled Breit-Wigner approximation has been applied to this regime. The experimental results for the auto-correlation function show that the absorption in the cavity walls yields an exponential decay. This behaviour can only be modelled using a large number of weakly coupled channels. In comparison to the auto-correlation functions, the cross-correlation functions of the diagonal S-matrix elements display a more pronounced difference between regular and chaotic systems.

  11. The negativity of Wigner function as a measure of quantum correlations

    NASA Astrophysics Data System (ADS)

    Siyouri, F.; El Baz, M.; Hassouni, Y.

    2016-10-01

    In this paper, we study comparatively the behaviors of Wigner function and quantum correlations for two quasi-Werner states formed with two general bipartite superposed coherent states. We show that the Wigner function can be used to detect and quantify the quantum correlations. However, we show that it is in fact not sensitive to all kinds of quantum correlations but only to entanglement. Then, we analyze the measure of non-classicality of quantum states based on the volume occupied by the negative part of the Wigner function.

  12. Sum Rule Constraints and the Quality of Approximate Kubo-Transformed Correlation Functions.

    PubMed

    Hernández de la Peña, Lisandro

    2016-02-11

    In this work, a general protocol for evaluating the quality of approximate Kubo correlation functions of nontrivial systems in many dimensions is discussed. We first note that the generalized deconvolution of the Kubo transformed correlation function onto a time correlation function at a given value τ in imaginary time, such that 0 < τ < βℏ, leads to a series of sum rules applicable to the nth derivative of the Kubo function and whose iterative extension allows us to link derivatives of different order in the corresponding correlation functions. We focus on the case when τ = βℏ/2, for which all deconvolution kernels become real valued functions and their asymptotic behavior at long times exhibits a polynomial divergence. It is then shown that thermally symmetrized static averages, and the averages of the corresponding time derivatives, are ideally suited to investigate the quality of approximate Kubo correlation functions at successively larger (and up to arbitrarily long) times. This overall strategy is illustrated analytically for a harmonic system and numerically for a multidimensional double-well potential and a Lennard-Jones fluid. The analysis includes an assessment of RPMD position autocorrelation results as a function of the number of dimensions in a double-well potential and of the RPMD velocity autocorrelation function of liquid neon at 30 K.

  13. Sum Rule Constraints and the Quality of Approximate Kubo-Transformed Correlation Functions.

    PubMed

    Hernández de la Peña, Lisandro

    2016-02-11

    In this work, a general protocol for evaluating the quality of approximate Kubo correlation functions of nontrivial systems in many dimensions is discussed. We first note that the generalized deconvolution of the Kubo transformed correlation function onto a time correlation function at a given value τ in imaginary time, such that 0 < τ < βℏ, leads to a series of sum rules applicable to the nth derivative of the Kubo function and whose iterative extension allows us to link derivatives of different order in the corresponding correlation functions. We focus on the case when τ = βℏ/2, for which all deconvolution kernels become real valued functions and their asymptotic behavior at long times exhibits a polynomial divergence. It is then shown that thermally symmetrized static averages, and the averages of the corresponding time derivatives, are ideally suited to investigate the quality of approximate Kubo correlation functions at successively larger (and up to arbitrarily long) times. This overall strategy is illustrated analytically for a harmonic system and numerically for a multidimensional double-well potential and a Lennard-Jones fluid. The analysis includes an assessment of RPMD position autocorrelation results as a function of the number of dimensions in a double-well potential and of the RPMD velocity autocorrelation function of liquid neon at 30 K. PMID:26786406

  14. Correlated Protein Function Prediction via Maximization of Data-Knowledge Consistency.

    PubMed

    Wang, Hua; Huang, Heng; Ding, Chris

    2015-06-01

    Conventional computational approaches for protein function prediction usually predict one function at a time, fundamentally. As a result, the protein functions are treated as separate target classes. However, biological processes are highly correlated in reality, which makes multiple functions assigned to a protein not independent. Therefore, it would be beneficial to make use of function category correlations when predicting protein functions. In this article, we propose a novel Maximization of Data-Knowledge Consistency (MDKC) approach to exploit function category correlations for protein function prediction. Our approach banks on the assumption that two proteins are likely to have large overlap in their annotated functions if they are highly similar according to certain experimental data. We first establish a new pairwise protein similarity using protein annotations from knowledge perspective. Then by maximizing the consistency between the established knowledge similarity upon annotations and the data similarity upon biological experiments, putative functions are assigned to unannotated proteins. Most importantly, function category correlations are gracefully incorporated into our learning objective through the knowledge similarity. Comprehensive experimental evaluations on the Saccharomyces cerevisiae species have demonstrated promising results that validate the performance of our methods.

  15. Nonequilibrium fluctuations in metaphase spindles: polarized light microscopy, image registration, and correlation functions

    NASA Astrophysics Data System (ADS)

    Brugués, Jan; Needleman, Daniel J.

    2010-02-01

    Metaphase spindles are highly dynamic, nonequilibrium, steady-state structures. We study the internal fluctuations of spindles by computing spatio-temporal correlation functions of movies obtained from quantitative polarized light microscopy. These correlation functions are only physically meaningful if corrections are made for the net motion of the spindle. We describe our image registration algorithm in detail and we explore its robustness. Finally, we discuss the expression used for the estimation of the correlation function in terms of the nematic order of the microtubules which make up the spindle. Ultimately, studying the form of these correlation functions will provide a quantitative test of the validity of coarse-grained models of spindle structure inspired from liquid crystal physics.

  16. Correlation between Pediatric Balance Scale and Functional Test in Children with Cerebral Palsy

    PubMed Central

    Duarte, Natália de A. C.; Grecco, Luanda André Collange; Franco, Renata Calhes; Zanon, Nelci; Oliveira, Cláudia Santos

    2014-01-01

    [Purpose] To investigate the correlation of functional balance with the functional performance of children with cerebral palsy. [Subjects and Methods] This was a cross-sectional study of children with cerebral palsy with mild to moderate impairment. The children were divided into 3 groups based on motor impairment. The evaluation consisted of the administration of the Pediatric Balance Scale (PBS) and the Pediatric Evaluation Disability Inventory. Correlations between the instruments were determined by calculating Pearson’s correlation coefficients. [Results] In Group 1, a strong positive correlation was found between the PBS and the mobility dimension of the Pediatric Evaluation Disability Inventory (r=0.82), and a moderate correlation was found between the PBS and self-care dimension of the Pediatric Evaluation Disability Inventory (r=0.51). In Group 2, moderate correlations were found between the PBS and both the self-care dimension (r=0.57) and mobility dimension (r=0.41) of the Pediatric Evaluation Disability Inventory. In Group 3, the PBS was weakly correlated with the self-care dimension (r=0.11) and moderately correlated with the mobility dimension (r=0.55). [Conclusion] The PBS proved to be a good auxiliary tool for the evaluation of functional performance with regard to mobility, but cannot be considered a predictor of function in children with cerebral palsy. PMID:25013281

  17. Spontaneous EEG Correlates of Intellectual Functioning in Talented and Handicapped Adolescents.

    ERIC Educational Resources Information Center

    Fischer, Donald G.; And Others

    1982-01-01

    EEG correlates of intellectual functioning in academically handicapped and talented adolescents were investigated. Data from Ertl's Brainwave Analyzer were factor analyzed and used to predict verbal, numerical, reasoning, and spatial abilities and reading and mathematics achievement. Correlational patterns differed by group. Implications for…

  18. Paternal Correlates of Cognitive and Behavioral Functioning in Children with Myelomeningocele

    ERIC Educational Resources Information Center

    Wohlfeiler, Melissa M.; Macias, Michelle M.; Saylor, Conway F.

    2008-01-01

    This study examined paternal correlates of the cognitive and behavioral functioning of children with myelomeningocele, when controlling for maternal and biological/child correlates as possible sources of variance. Participants were 48 parent dyads of children with myelomeningocele (21 males, 27 females) between the ages of 4 and 12 years (mean 8y,…

  19. Assessing the waddle: An evaluation of a 3-point gait score system for ducks.

    PubMed

    Makagon, Maja M; Woolley, Rebecca; Karcher, Darrin M

    2015-08-01

    Impaired walking ability is an economically important welfare problem that affects poultry raised for meat production, including Pekin ducks. To gain a better understanding of the impacts of walking impairments on duck production, and to identify contributing variables and plausible remedies, an accurate measure of walking ability must first be defined. The viability of a 3-point gait score system for characterizing the walking abilities of Pekin ducks was evaluated. Specifically, we examined whether the qualitative gait score categories corresponded to quantitative gait parameter measures, and evaluated the inter- and intra-rater reliabilities of the gait score system. Commercial Pekin ducks aged 13 to 14 d (14 d; 248 ducks), 20 to 21 d (21 d; 350 ducks), and 30 to 32 d (31 d; 368 ducks), were video recorded and gait scored using a 3-point system (GS0 = best gait; GS2 = poor gait) as they crossed a Tekscan(®) gait analysis system. Gait structure parameters were calculated based on 4 steps made by each duck. The most prominent differences were observed at 21 d and 31 d of age between the ducks with GS0 and GS2, with GS2 scoring ducks walking a shorter total distance, having greater differences in the amount of pressure applied to the right versus left leg, and the amount of time spent standing on 2 feet between steps. Gait score reliabilities were calculated separately for observers who received minimal training (M, N = 10) and those who viewed and discussed the sample cases (V, N = 13). Both groups assessed the gait of ducks from video footage. Inter-rater reliability (Fleiss kappa) was lowest for 14 d old ducks (M: k = 0.47, T: k = 0.62), and best for the 32 d old ducks (V: k = 0.75; T: k = 0.8). Overall, intra-rater reliabilities (Pearson's correlation) were high and were unaffected by the scorer's level of training (M: r = 0.87; V: r = 0.87; t21 = 0.43). The results indicate that a 3-point gait score system is a promising tool for assessing the walking ability

  20. Correlation functions of the antiferromagnetic Heisenberg model using a modified Lanczos method

    NASA Astrophysics Data System (ADS)

    Gagliano, Eduardo R.; Dagotto, Elbio; Moreo, Adriana; Alcaraz, Francisco C.

    1986-08-01

    Using a modified Lanczos algorithm, we study the correlation functions in the ground state of the one-dimensional antiferromagnetic Heisenberg model. We obtain numerical results for rings up to 24 sites. There are no indications of the anomalous behavior of these correlation functions recently observed in chains with 16 sites. We also present a pedagogical description of the hashing technique which is an efficient algorithm for searching and storage purposes.

  1. On Correlation Functions of BPS Operators in 3d N = 6 Superconformal Theories

    NASA Astrophysics Data System (ADS)

    Liendo, Pedro; Meneghelli, Carlo; Mitev, Vladimir

    2016-07-01

    We introduce a novel harmonic superspace for 3d N=6 superconformal field theories that is tailor made for the study of correlation functions of BPS operators. We calculate a host of two- and three-point functions in full generality and put strong constraints on the form of four-point functions of some selected BPS multiplets. For the four-point function of {1/2} -BPS operators we obtain the associated Ward identities by imposing the absence of harmonic singularities. The latter imply the existence of a solvable subsector in which the correlator becomes topological. This mechanism can be explained by cohomological reduction with respect to a special nilpotent supercharge.

  2. Modeling the two-point correlation of the vector stream function

    NASA Technical Reports Server (NTRS)

    Oberlack, M.; Rogers, M. M.; Reynolds, W. C.

    1994-01-01

    A new model for the two-point vector stream function correlation has been developed using tensor invariant arguments and evaluated by the comparison of model predictions with DNS data for incompressible homogeneous turbulent shear flow. This two-point vector stream function model correlation can then be used to calculate the two-point velocity correlation function and other quantities useful in turbulence modeling. The model assumes that the two-point vector stream function correlation can be written in terms of the separation vector and a new tensor function that depends only on the magnitude of the separation vector. The model has a single free model coefficient, which has been chosen by comparison with the DNS data. The relative error of the model predictions of the two-point vector stream function correlation is only a few percent for a broad range of the model coefficient. Predictions of the derivatives of this correlation, which are of interest in turbulence modeling, may not be this accurate.

  3. Correlated Monte Carlo wave functions for the atoms He through Ne

    SciTech Connect

    Schmidt, K.E. ); Moskowitz, J.W. )

    1990-09-15

    We apply the variational Monte Carlo method to the atoms He through Ne. Our trial wave function is of the form introduced by Boys and Handy. We use the Monte Carlo method to calculate the first and second derivatives of an unreweighted variance and apply Newton's method to minimize this variance. We motivate the form of the correlation function using the local current conservation arguments of Feynman and Cohen. Using a self-consistent field wave function multiplied by a Boys and Handy correlation function, we recover a large fraction of the correlation energy of these atoms. We give the value of all variational parameters necessary to reproduce our wave functions. The method can be extended easily to other atoms and to molecules.

  4. Correlation Function Approach for Estimating Thermal Conductivity in Highly Porous Fibrous Materials

    NASA Technical Reports Server (NTRS)

    Martinez-Garcia, Jorge; Braginsky, Leonid; Shklover, Valery; Lawson, John W.

    2011-01-01

    Heat transport in highly porous fiber networks is analyzed via two-point correlation functions. Fibers are assumed to be long and thin to allow a large number of crossing points per fiber. The network is characterized by three parameters: the fiber aspect ratio, the porosity and the anisotropy of the structure. We show that the effective thermal conductivity of the system can be estimated from knowledge of the porosity and the correlation lengths of the correlation functions obtained from a fiber structure image. As an application, the effects of the fiber aspect ratio and the network anisotropy on the thermal conductivity is studied.

  5. Predictive Classification of Correlated Targets with Application to Detection of Metastatic Cancer using Functional CT Imaging

    PubMed Central

    Wang, Yuan; Hobbs, Brian P.; Hu, Jianhua; Ng, Chaan S.; Do, Kim-Anh

    2015-01-01

    Summary Perfusion computed tomography (CTp) is an emerging functional imaging modality that uses physiological models to quantify characteristics pertaining to the passage of fluid through blood vessels. Perfusion characteristics provide physiological correlates for neovascularization induced by tumor angiogenesis. Thus CTp offers promise as a non-invasive quantitative functional imaging tool for cancer detection, prognostication, and treatment monitoring. In this paper, we develop a Bayesian probabilistic framework for simultaneous supervised classification of multivariate correlated objects using separable covariance. The classification approach is applied to discriminate between regions of liver that contain pathologically verified metastases from normal liver tissue using five perfusion characteristics. The hepatic regions tend to be highly correlated due to common vasculature. We demonstrate that simultaneous Bayesian classification yields dramatic improvements in performance in the presence of strong correlation among intra-subject units, yet remains competitive with classical methods in the presence of weak or no correlation. PMID:25851056

  6. Multispin coherences and asymptotic similarity of time correlation functions in solids

    SciTech Connect

    Bodneva, V. L. Lundin, A. A.

    2009-06-15

    The time evolution of multispin (n-particle) correlations in solids (the growth in the number of correlated states) observed by means of multiquantum NMR spectroscopy has been investigated. The contributions from the spins of the immediate environment of each of the spins in the lattice to the time correlation functions that describe this evolution are shown to be mutually asymptotically similar. In this case, the infinite system of coupled ordinary differential equations for the time correlation functions turns out to be equivalent to a diffusion-type partial differential equation with a purely imaginary diffusion coefficient. Its analytical solution has been obtained. It is concluded that the evolution of multispin correlations is probably attributable to multiparticle processes among the spins of a 'distant' (with respect to some spin) environment similar to the processes that shape the NMR absorption line wings.

  7. Long-range correlation energy calculated from coupled atomic response functions

    SciTech Connect

    Ambrosetti, Alberto; Reilly, Anthony M.; Tkatchenko, Alexandre; DiStasio, Robert A.

    2014-05-14

    An accurate determination of the electron correlation energy is an essential prerequisite for describing the structure, stability, and function in a wide variety of systems. Therefore, the development of efficient approaches for the calculation of the correlation energy (and hence the dispersion energy as well) is essential and such methods can be coupled with many density-functional approximations, local methods for the electron correlation energy, and even interatomic force fields. In this work, we build upon the previously developed many-body dispersion (MBD) framework, which is intimately linked to the random-phase approximation for the correlation energy. We separate the correlation energy into short-range contributions that are modeled by semi-local functionals and long-range contributions that are calculated by mapping the complex all-electron problem onto a set of atomic response functions coupled in the dipole approximation. We propose an effective range-separation of the coupling between the atomic response functions that extends the already broad applicability of the MBD method to non-metallic materials with highly anisotropic responses, such as layered nanostructures. Application to a variety of high-quality benchmark datasets illustrates the accuracy and applicability of the improved MBD approach, which offers the prospect of first-principles modeling of large structurally complex systems with an accurate description of the long-range correlation energy.

  8. Automatic determination of important mode-mode correlations in many-mode vibrational wave functions

    NASA Astrophysics Data System (ADS)

    König, Carolin; Christiansen, Ove

    2015-04-01

    We introduce new automatic procedures for parameterizing vibrational coupled cluster (VCC) and vibrational configuration interaction wave functions. Importance measures for individual mode combinations in the wave function are derived based on upper bounds to Hamiltonian matrix elements and/or the size of perturbative corrections derived in the framework of VCC. With a threshold, this enables an automatic, system-adapted way of choosing which mode-mode correlations are explicitly parameterized in the many-mode wave function. The effect of different importance measures and thresholds is investigated for zero-point energies and infrared spectra for formaldehyde and furan. Furthermore, the direct link between important mode-mode correlations and coordinates is illustrated employing water clusters as examples: Using optimized coordinates, a larger number of mode combinations can be neglected in the correlated many-mode vibrational wave function than with normal coordinates for the same accuracy. Moreover, the fraction of important mode-mode correlations compared to the total number of correlations decreases with system size. This underlines the potential gain in efficiency when using optimized coordinates in combination with a flexible scheme for choosing the mode-mode correlations included in the parameterization of the correlated many-mode vibrational wave function. All in all, it is found that the introduced schemes for parameterizing correlated many-mode vibrational wave functions lead to at least as systematic and accurate calculations as those using more standard and straightforward excitation level definitions. This new way of defining approximate calculations offers potential for future calculations on larger systems.

  9. Site-resolved measurement of the spin-correlation function in the Fermi-Hubbard model.

    PubMed

    Parsons, Maxwell F; Mazurenko, Anton; Chiu, Christie S; Ji, Geoffrey; Greif, Daniel; Greiner, Markus

    2016-09-16

    Exotic phases of matter can emerge from strong correlations in quantum many-body systems. Quantum gas microscopy affords the opportunity to study these correlations with unprecedented detail. Here, we report site-resolved observations of antiferromagnetic correlations in a two-dimensional, Hubbard-regime optical lattice and demonstrate the ability to measure the spin-correlation function over any distance. We measure the in situ distributions of the particle density and magnetic correlations, extract thermodynamic quantities from comparisons to theory, and observe statistically significant correlations over three lattice sites. The temperatures that we reach approach the limits of available numerical simulations. The direct access to many-body physics at the single-particle level demonstrated by our results will further our understanding of how the interplay of motion and magnetism gives rise to new states of matter. PMID:27634527

  10. The Geriatric Hand: Correlation of Hand-Muscle Function and Activity Restriction in Elderly

    ERIC Educational Resources Information Center

    Incel, Nurgul Arinci; Sezgin, Melek; As, Ismet; Cimen, Ozlem Bolgen; Sahin, Gunsah

    2009-01-01

    On the basis of the importance of hand manipulation in activities of daily living (ADL), deterioration of hand function because of various factors reduces quality and independence of life of the geriatric population. The aim of this study was to identify age-induced changes in manual function and to quantify the correlations between hand-muscle…

  11. Extension of local-type inequality for the higher order correlation functions

    SciTech Connect

    Suyama, Teruaki; Yokoyama, Shuichiro E-mail: shu@a.phys.nagoya-u.ac.jp

    2011-07-01

    For the local-type primordial perturbation, it is known that there is an inequality between the bispectrum and the trispectrum. By using the diagrammatic method, we develop a general formalism to systematically construct the similar inequalities up to any order correlation function. As an application, we explicitly derive all the inequalities up to six and eight-point functions.

  12. Gas phase infrared spectra from quasi-classical Kubo time correlation functions

    NASA Astrophysics Data System (ADS)

    Beutier, J.; Vuilleumier, R.; Bonella, S.; Ciccotti, G.

    2015-09-01

    We generalise the recently developed phase integration method (PIM) to obtain a computable approximation of the Kubo expression for quantum time correlation functions. Our scheme combines exact sampling of the quantum thermal density with classical dynamics to provide a quasi-classical approximation for the correlation function. The method will be specialised to the evaluation of the momentum autocorrelation function, with the goal to compute infrared spectra of simple molecules in the gas phase. Application to two simple but interesting benchmark systems shows that the approach is accurate and stable over a broad range of temperatures.

  13. Assessing Accuracy of Exchange-Correlation Functionals for the Description of Atomic Excited States

    NASA Astrophysics Data System (ADS)

    Makowski, Marcin; Hanas, Martyna

    2016-09-01

    The performance of exchange-correlation functionals for the description of atomic excitations is investigated. A benchmark set of excited states is constructed and experimental data is compared to Time-Dependent Density Functional Theory (TDDFT) calculations. The benchmark results show that for the selected group of functionals good accuracy may be achieved and the quality of predictions provided is competitive to computationally more demanding coupled-cluster approaches. Apart from testing the standard TDDFT approaches, also the role of self-interaction error plaguing DFT calculations and the adiabatic approximation to the exchange-correlation kernels is given some insight.

  14. Correlation function induced by a generalized diffusion equation with the presence of a harmonic potential

    SciTech Connect

    Fa, Kwok Sau

    2015-02-15

    An integro-differential diffusion equation with linear force, based on the continuous time random walk model, is considered. The equation generalizes the ordinary and fractional diffusion equations, which includes short, intermediate and long-time memory effects described by the waiting time probability density function. Analytical expression for the correlation function is obtained and analyzed, which can be used to describe, for instance, internal motions of proteins. The result shows that the generalized diffusion equation has a broad application and it may be used to describe different kinds of systems. - Highlights: • Calculation of the correlation function. • The correlation function is connected to the survival probability. • The model can be applied to the internal dynamics of proteins.

  15. A bridge-functional-based classical mapping method for predicting the correlation functions of uniform electron gases at finite temperature

    SciTech Connect

    Liu, Yu; Wu, Jianzhong

    2014-02-28

    Efficient and accurate prediction of the correlation functions of uniform electron gases is of great importance for both practical and theoretical applications. This paper presents a bridge-functional-based classical mapping method for calculating the correlation functions of uniform spin-unpolarized electron gases at finite temperature. The bridge functional is formulated by following Rosenfeld's universality ansatz in combination with the modified fundamental measure theory. The theoretical predictions are in good agreement with recent quantum Monte Carlo results but with negligible computational cost, and the accuracy is better than a previous attempt based on the hypernetted-chain approximation. We find that the classical mapping method is most accurate if the effective mass of electrons increases as the density falls.

  16. Spectral functions of strongly correlated extended systems via an exact quantum embedding

    NASA Astrophysics Data System (ADS)

    Booth, George H.; Chan, Garnet Kin-Lic

    2015-04-01

    Density matrix embedding theory (DMET) [Phys. Rev. Lett. 109, 186404 (2012), 10.1103/PhysRevLett.109.186404], introduced an approach to quantum cluster embedding methods whereby the mapping of strongly correlated bulk problems to an impurity with finite set of bath states was rigorously formulated to exactly reproduce the entanglement of the ground state. The formalism provided similar physics to dynamical mean-field theory at a tiny fraction of the cost but was inherently limited by the construction of a bath designed to reproduce ground-state, static properties. Here, we generalize the concept of quantum embedding to dynamic properties and demonstrate accurate bulk spectral functions at similarly small computational cost. The proposed spectral DMET utilizes the Schmidt decomposition of a response vector, mapping the bulk dynamic correlation functions to that of a quantum impurity cluster coupled to a set of frequency-dependent bath states. The resultant spectral functions are obtained on the real-frequency axis, without bath discretization error, and allows for the construction of arbitrary dynamic correlation functions. We demonstrate the method on the one- (1D) and two-dimensional (2D) Hubbard model, where we obtain zero temperature and thermodynamic limit spectral functions, and show the trivial extension to two-particle Green's functions. This advance therefore extends the scope and applicability of DMET in condensed-matter problems as a computationally tractable route to correlated spectral functions of extended systems and provides a competitive alternative to dynamical mean-field theory for dynamic quantities.

  17. Interspecies activity correlations reveal functional correspondence between monkey and human brain areas.

    PubMed

    Mantini, Dante; Hasson, Uri; Betti, Viviana; Perrucci, Mauro G; Romani, Gian Luca; Corbetta, Maurizio; Orban, Guy A; Vanduffel, Wim

    2012-02-05

    Evolution-driven functional changes in the primate brain are typically assessed by aligning monkey and human activation maps using cortical surface expansion models. These models use putative homologous areas as registration landmarks, assuming they are functionally correspondent. For cases in which functional changes have occurred in an area, this assumption prohibits to reveal whether other areas may have assumed lost functions. Here we describe a method to examine functional correspondences across species. Without making spatial assumptions, we assessed similarities in sensory-driven functional magnetic resonance imaging responses between monkey (Macaca mulatta) and human brain areas by temporal correlation. Using natural vision data, we revealed regions for which functional processing has shifted to topologically divergent locations during evolution. We conclude that substantial evolution-driven functional reorganizations have occurred, not always consistent with cortical expansion processes. This framework for evaluating changes in functional architecture is crucial to building more accurate evolutionary models.

  18. Correlation functions of main-chain polymer nematics constrained by tensorial and vectorial conservation laws.

    PubMed

    Svenšek, Daniel; Podgornik, Rudolf

    2015-09-21

    We present and analyze correlation functions of a main-chain polymer nematic in a continuum worm-like chain description for two types of constraints formalized by the tensorial and vectorial conservation laws, both originating in the microscopic chain integrity, i.e., the connectivity of the polymer chains. In particular, our aim is to identify the features of the correlation functions that are most susceptible to the differences between the two constraints. Besides the density and director autocorrelations in both the tensorial and vectorial cases, we calculate also the density-director correlation functions, the latter being a direct signature of the presence of a specific constraint. Its amplitude is connected to the strength of the constraint and is zero if none of the constraints are present, i.e., for a standard non-polymeric nematic. Generally, the correlation functions with the constraints differ substantially from the correlation functions in the non-polymeric case, if the constraints are strong which in practice requires long chains. Moreover, for the tensorial conservation law to be well distinguishable from the vectorial one, the chain persistence length should be much smaller than the total length of the chain, so that hairpins (chain backfolding) are numerous and the polar order is small. PMID:26395733

  19. Correlation functions of main-chain polymer nematics constrained by tensorial and vectorial conservation laws.

    PubMed

    Svenšek, Daniel; Podgornik, Rudolf

    2015-09-21

    We present and analyze correlation functions of a main-chain polymer nematic in a continuum worm-like chain description for two types of constraints formalized by the tensorial and vectorial conservation laws, both originating in the microscopic chain integrity, i.e., the connectivity of the polymer chains. In particular, our aim is to identify the features of the correlation functions that are most susceptible to the differences between the two constraints. Besides the density and director autocorrelations in both the tensorial and vectorial cases, we calculate also the density-director correlation functions, the latter being a direct signature of the presence of a specific constraint. Its amplitude is connected to the strength of the constraint and is zero if none of the constraints are present, i.e., for a standard non-polymeric nematic. Generally, the correlation functions with the constraints differ substantially from the correlation functions in the non-polymeric case, if the constraints are strong which in practice requires long chains. Moreover, for the tensorial conservation law to be well distinguishable from the vectorial one, the chain persistence length should be much smaller than the total length of the chain, so that hairpins (chain backfolding) are numerous and the polar order is small.

  20. Nonseparable exchange-correlation functional for molecules, including homogeneous catalysis involving transition metals.

    PubMed

    Yu, Haoyu S; Zhang, Wenjing; Verma, Pragya; He, Xiao; Truhlar, Donald G

    2015-05-14

    The goal of this work is to develop a gradient approximation to the exchange-correlation functional of Kohn-Sham density functional theory for treating molecular problems with a special emphasis on the prediction of quantities important for homogeneous catalysis and other molecular energetics. Our training and validation of exchange-correlation functionals is organized in terms of databases and subdatabases. The key properties required for homogeneous catalysis are main group bond energies (database MGBE137), transition metal bond energies (database TMBE32), reaction barrier heights (database BH76), and molecular structures (database MS10). We also consider 26 other databases, most of which are subdatabases of a newly extended broad database called Database 2015, which is presented in the present article and in its ESI. Based on the mathematical form of a nonseparable gradient approximation (NGA), as first employed in the N12 functional, we design a new functional by using Database 2015 and by adding smoothness constraints to the optimization of the functional. The resulting functional is called the gradient approximation for molecules, or GAM. The GAM functional gives better results for MGBE137, TMBE32, and BH76 than any available generalized gradient approximation (GGA) or than N12. The GAM functional also gives reasonable results for MS10 with an MUE of 0.018 Å. The GAM functional provides good results both within the training sets and outside the training sets. The convergence tests and the smooth curves of exchange-correlation enhancement factor as a function of the reduced density gradient show that the GAM functional is a smooth functional that should not lead to extra expense or instability in optimizations. NGAs, like GGAs, have the advantage over meta-GGAs and hybrid GGAs of respectively smaller grid-size requirements for integrations and lower costs for extended systems. These computational advantages combined with the relatively high accuracy for all

  1. Correlation functions in resonance fluorescence with spectral resolution: Signal-processing approach

    NASA Astrophysics Data System (ADS)

    Shatokhin, Vyacheslav N.; Kilin, Sergei Ya.

    2016-09-01

    In the framework of the signal processing approach to single-atom resonance fluorescence with spectral resolution, we diagrammatically derive an analytical formula for arbitrary-order spectral correlation functions of the scattered fields that pass through Fabry-Perot interferometers. Our general expression is then applied to study correlation signals in the limit of well separated spectral lines of the resonance fluorescence spectrum. In particular, we study the normalized second-order temporal intensity correlation functions in the case of the interferometers tuned to the components of the spectrum and obtain interferential corrections to the approximate results derived in the secular limit. In addition, we explore purely spectral correlations and show that they can fully be understood in terms of the two-photon cascades down the dressed state ladder.

  2. Assessment of subjective and objective cognitive function in bipolar disorder: Correlations, predictors and the relation to psychosocial function.

    PubMed

    Demant, Kirsa M; Vinberg, Maj; Kessing, Lars V; Miskowiak, Kamilla W

    2015-09-30

    Cognitive dysfunction is prevalent in bipolar disorder (BD). However, the evidence regarding the association between subjective cognitive complaints, objective cognitive performance and psychosocial function is sparse and inconsistent. Seventy seven patients with bipolar disorder who presented cognitive complaints underwent assessment of objective and subjective cognitive function and psychosocial functioning as part of their participation in two clinical trials. We investigated the association between global and domain-specific objective and subjective cognitive function and between global cognitive function and psychosocial function. We also identified clinical variables that predicted objective and subjective cognitive function and psychosocial functioning. There was a correlation between global subjective and objective measures of cognitive dysfunction but not within the individual cognitive domains. However, the correlation was weak, suggesting that cognitive complaints are not an assay of cognition per se. Self-rated psychosocial difficulties were associated with subjective (but not objective) cognitive impairment and both subjective cognitive and psychosocial difficulties were predicted by depressive symptoms. Our findings indicate that adequate assessment of cognition in the clinical treatment of BD and in drug trials targeting cognition requires implementation of not only subjective measures but also of objective neuropsychological tests.

  3. Green's function retrieval through cross-correlations in a two-dimensional complex reverberating medium.

    PubMed

    Colombi, Andrea; Boschi, Lapo; Roux, Philippe; Campillo, Michel

    2014-03-01

    Cross-correlations of ambient noise averaged at two receivers lead to the reconstruction of the two-point Green's function, provided that the wave-field is uniform azimuthally, and also temporally and spatially uncorrelated. This condition depends on the spatial distribution of the sources and the presence of heterogeneities that act as uncorrelated secondary sources. This study aims to evaluate the relative contributions of source distribution and medium complexity in the two-point cross-correlations by means of numerical simulations and laboratory experiments in a finite-size reverberant two-dimensional (2D) plate. The experiments show that the fit between the cross-correlation and the 2D Green's function depends strongly on the nature of the source used to excite the plate. A turbulent air-jet produces a spatially uncorrelated acoustic field that rapidly builds up the Green's function. On the other hand, extracting the Green's function from cross-correlations of point-like sources requires more realizations and long recordings to balance the effect of the most energetic first arrivals. When the Green's function involves other arrivals than the direct wave, numerical simulations confirm the better Green's function reconstruction with a spatially uniform source distribution than the typical contour-like source distribution surrounding the receivers that systematically gives rise to spurious phases. PMID:24606247

  4. Optimization of a hybrid exchange-correlation functional for silicon carbides

    SciTech Connect

    Oda, Takuji; Zhang, Yanwen; Weber, William J

    2013-01-01

    A hybrid exchange-correlation functional is optimized in order to accurately describe the nature of silicon carbides (SiC) in the framework of ab-initio calculations based on density functional theory (DFT), especially with an aim toward future applications in defect studies. It is shown that the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional with the screening parameter of 0.15 -1 outperforms conventional exchange-correlation functionals and other popular hybrid functionals regarding description of band structures in SiC. High transferability is proven through assessment over various SiC polytypes, silicon and diamond. Excellent performance is also confirmed for other fundamental material properties including elastic constants and phonon frequency.

  5. Spin-foam fermions: PCT symmetry, Dirac determinant and correlation functions

    NASA Astrophysics Data System (ADS)

    Han, Muxin; Rovelli, Carlo

    2013-04-01

    We discuss fermion coupling in the framework of spin-foam quantum gravity. We analyze the gravity-fermion spin-foam model and its fermion correlation functions. We show that there is a spin-foam analogue of PCT symmetry for the fermion fields on a spin-foam model, which is proved for spin-foam fermion correlation functions. We compute the determinant of the Dirac operator for the fermions, where two presentations of the Dirac determinant are given in terms of diagram expansions. We compute the fermion correlation functions and show that they can be given by Feynman diagrams on the spin-foams, where the Feynman propagators can be represented by a discretized path integral of a world-line action along the edges of the underlying 2-complex.

  6. Quantifying local exciton, charge resonance, and multiexciton character in correlated wave functions of multichromophoric systems

    NASA Astrophysics Data System (ADS)

    Casanova, David; Krylov, Anna I.

    2016-01-01

    A new method for quantifying the contributions of local excitation, charge resonance, and multiexciton configurations in correlated wave functions of multichromophoric systems is presented. The approach relies on fragment-localized orbitals and employs spin correlators. Its utility is illustrated by calculations on model clusters of hydrogen, ethylene, and tetracene molecules using adiabatic restricted-active-space configuration interaction wave functions. In addition to the wave function analysis, this approach provides a basis for a simple state-specific energy correction accounting for insufficient description of electron correlation. The decomposition scheme also allows one to compute energies of the diabatic states of the local excitonic, charge-resonance, and multi-excitonic character. The new method provides insight into electronic structure of multichromophoric systems and delivers valuable reference data for validating excitonic models.

  7. Non-Poisson processes: regression to equilibrium versus equilibrium correlation functions

    NASA Astrophysics Data System (ADS)

    Allegrini, Paolo; Grigolini, Paolo; Palatella, Luigi; Rosa, Angelo; West, Bruce J.

    2005-03-01

    We study the response to perturbation of non-Poisson dichotomous fluctuations that generate super-diffusion. We adopt the Liouville perspective and with it a quantum-like approach based on splitting the density distribution into a symmetric and an anti-symmetric component. To accomodate the equilibrium condition behind the stationary correlation function, we study the time evolution of the anti-symmetric component, while keeping the symmetric component at equilibrium. For any realistic form of the perturbed distribution density we expect a breakdown of the Onsager principle, namely, of the property that the subsequent regression of the perturbation to equilibrium is identical to the corresponding equilibrium correlation function. We find the directions to follow for the calculation of higher-order correlation functions, an unsettled problem, which has been addressed in the past by means of approximations yielding quite different physical effects.

  8. Measuring a hidden coordinate: Rate-exchange kinetics from 3D correlation functions

    NASA Astrophysics Data System (ADS)

    Berg, Mark A.; Darvin, Jason R.

    2016-08-01

    Nonexponential kinetics imply the existence of at least one slow variable other than the observable, that is, the system has a "hidden" coordinate. We develop a simple, but general, model that allows multidimensional correlation functions to be calculated for these systems. Homogeneous and heterogeneous mechanisms are both included, and slow exchange of the rates is allowed. This model shows that 2D and 3D correlation functions of the observable measure the distribution and kinetics of the hidden coordinate controlling the rate exchange. Both the mean exchange time and the shape of the exchange relaxation are measurable. However, complications arise because higher correlation functions are sums of multiple "pathways," each of which measures different dynamics. Only one 3D pathway involves exchange dynamics. Care must be used to extract exchange dynamics without contamination from other processes.

  9. Probing the twist-3 multi-gluon correlation functions by p↑p → DX

    NASA Astrophysics Data System (ADS)

    Koike, Yuji; Yoshida, Shinsuke

    2011-05-01

    We study the single spin asymmetry (SSA) for the D-meson production ADN in the pp collision, p↑p → DX in the framework of the collinear factorization. Since the charm quark is mainly produced through the cbar c-pair creation from the gluon-fusion process, this is an ideal process to probe the twist-3 triple-gluon correlation functions in the polarized nucleon. We derive the corresponding cross section formula for the contribution of the triple-gluon correlation function to ADN in p↑p → DX, applying the method developed for ep↑ → eDX in our previous study. As in the case of ep↑ → eDX, our result differs from a previous study in the literature.We will also present a simple estimate of the triple-gluon correlation functions based on the preliminary data on ADN by RHIC.

  10. Sarcoidosis: correlation of pulmonary parenchymal pattern at CT with results of pulmonary function tests

    SciTech Connect

    Bergin, C.J.; Bell, D.Y.; Coblentz, C.L.; Chiles, C.; Gamsu, G.; MacIntyre, N.R.; Coleman, R.E.; Putman, C.E.

    1989-06-01

    The appearances of the lungs on radiographs and computed tomographic (CT) scans were correlated with degree of uptake on gallium scans and results of pulmonary function tests (PFTs) in 27 patients with sarcoidosis. CT scans were evaluated both qualitatively and quantitatively. Patients were divided into five categories on the basis of the pattern of abnormality at CT: 1 = normal (n = 4); 2 = segmental air-space disease (n = 4); 3 = spherical (alveolar) masslike opacities (n = 4); 4 = multiple, discrete, small nodules (n = 6); and 5 = distortion of parenchymal structures (fibrotic end-stage sarcoidosis) (n = 9). The percentage of the volume judged to be abnormal (CT grade) was correlated with PFT results for each CT and radiographic category. CT grades were also correlated with gallium scanning results and percentage of lymphocytes recovered from bronchoalveolar lavage (BAL). Patients in CT categories 1 and 2 had normal lung function, those in category 3 had mild functional impairment, and those in categories 4 and 5 showed moderate to severe dysfunction. The overall CT grade correlated well with PFT results expressed as a percentage of the predicted value. In five patients, CT scans showed extensive parenchymal disease not seen on radiographs. CT grades did not correlate with the results of gallium scanning or BAL lymphocytes. The authors conclude that patterns of parenchymal sarcoidosis seen at CT correlate with the PFT results and can be used to indicate respiratory impairment.

  11. Dynamical correlation functions of the 1D Bose gas (Lieb Liniger model)

    NASA Astrophysics Data System (ADS)

    Caux, Jean-Sebastien; Calabrese, Pasquale

    2007-03-01

    The momentum- and frequency-dependent correlation functions (one-body and density-density) of the one-dimensional interacting Bose gas (Lieb-Liniger model) are obtained for any value (repulsive or attractive) of the interaction parameter. In the repulsive regime, we use the Algebraic Bethe Ansatz and the ABACUS method to reconstruct the correlators to high accuracy for systems with finite but large numbers of particles. For attractive interactions, the correlations are computed analytically. Our results are discussed, with particular emphasis on their applications to quasi-one-dimensional atomic gases.

  12. Visualizing Functional Pathways in the Human Brain Using Correlation Tensors and Magnetic Resonance Imaging

    PubMed Central

    Ding, Zhaohua; Xu, Ran; Bailey, Stephen K.; Wu, Tung-Lin; Morgan, Victoria L.; Cutting, Laurie E.; Anderson, Adam W.; Gore, John C.

    2016-01-01

    Functional magnetic resonance imaging usually detects changes in blood oxygenation level dependent (BOLD) signals from T2*-sensitive acquisitions, and is most effective in detecting activity in brain cortex which is irrigated by rich vasculature to meet high metabolic demands. We recently demonstrated that MRI signals from T2*-sensitive acquisitions in a resting state exhibit structure-specific temporal correlations along white matter tracts. In this report we validate our preliminary findings and introduce spatio-temporal functional correlation tensors to characterize the directional preferences of temporal correlations in MRI signals acquired at rest. The results bear a remarkable similarity to data obtained by diffusion tensor imaging but without any diffusion-encoding gradients. Just as in gray matter, temporal correlations in resting state signals may reflect intrinsic synchronizations of neural activity in white matter. Here we demonstrate that functional correlation tensors are able to visualize long range white matter tracts as well as short range sub-cortical fibers imaged at rest, and that evoked functional activities alter these structures and enhance the visualization of relevant neural circuitry. Furthermore, we explore the biophysical mechanisms underlying these phenomena by comparing pulse sequences, which suggest that white matter signal variations are consistent with hemodynamic (BOLD) changes associated with neural activity. These results suggest new ways to evaluate MRI signal changes within white matter. PMID:26477562

  13. Study of charge-dependent azimuthal correlations using reaction-plane-dependent balance functions

    NASA Astrophysics Data System (ADS)

    Wang, Hui; STAR Collaboration

    2011-12-01

    STAR has recently reported charge-dependent azimuthal correlations that are sensitive to the charge separation effect in Au+Au collisions at \\sqrt{s_NN} = 200 GeV. Qualitatively, these results agree with some of the theoretical predictions for local parity violation in heavy-ion collisions. However, a study using reaction-plane-dependent balance functions shows an alternative origin of this signal. The balance function, which measures the correlation between oppositely charged pairs, is sensitive to the mechanisms of charge formation and the subsequent relative diffusion of the balancing charges. The reaction-plane-dependent balance function measurements can be related to STAR's charge-dependent azimuthal correlations. We report reaction-plane-dependent balance functions for Au+Au collisions at \\sqrt{s_NN} = 200, 62.4, 39, 11.5 and 7.7 GeV using the STAR detector. The model of Schlichting and Pratt incorporating local charge conservation and elliptic flow reproduces most of the three-particle azimuthal correlation results at 200 GeV. The experimental charge-dependent azimuthal charge correlations observed at 200 GeV can be explained in terms of local charge conservation and elliptic flow.

  14. Density functional with full exact exchange, balanced nonlocality of correlation, and constraint satisfaction

    NASA Astrophysics Data System (ADS)

    Perdew, John P.; Staroverov, Viktor N.; Tao, Jianmin; Scuseria, Gustavo E.

    2008-11-01

    We construct a nonlocal density functional approximation with full exact exchange, while preserving the constraint-satisfaction approach and justified error cancellations of simpler semilocal functionals. This is achieved by interpolating between different approximations suitable for two extreme regions of the electron density. In a “normal” region, the exact exchange-correlation hole density around an electron is semilocal because its spatial range is reduced by correlation and because it integrates over a narrow range to -1 . These regions are well described by popular semilocal approximations (many of which have been constructed nonempirically), because of proper accuracy for a slowly varying density or because of error cancellation between exchange and correlation. “Abnormal” regions, where nonlocality is unveiled, include those in which exchange can dominate correlation (one-electron, nonuniform high density, and rapidly varying limits), and those open subsystems of fluctuating electron number over which the exact exchange-correlation hole integrates to a value greater than -1 . Regions between these extremes are described by a hybrid functional mixing exact and semilocal exchange energy densities locally, i.e., with a mixing fraction that is a function of position r and a functional of the density. Because our mixing fraction tends to 1 in the high-density limit, we employ full exact exchange according to the rigorous definition of the exchange component of any exchange-correlation energy functional. Use of full exact exchange permits the satisfaction of many exact constraints, but the nonlocality of exchange also requires balanced nonlocality of correlation. We find that this nonlocality can demand at least five empirical parameters, corresponding roughly to the four kinds of abnormal regions. Our local hybrid functional is perhaps the first accurate fourth-rung density functional or hyper-generalized gradient approximation, with full exact exchange

  15. Analysis of N* spectra using matrices of correlation functions based on irreducible baryon operators

    SciTech Connect

    S. Basak; I. Sato; S. Wallace; R. Edwards; G.T. Fleming; D. Richards; R. Fiebig; U.M. Heller; C. Morningstar

    2004-06-01

    We present results for ground and excited-state nucleon masses in quenched lattice QCD using anisotropic lattices. Group theoretical constructions of local and nonlocal straight-link irreducible operators are used to obtain suitable sources and sinks. Matrices of correlation functions are diagonalized to determine the eigenvectors. Both chi-square fitting and Bayesian inference with an entropic prior are used to extract masses from the correlation functions in a given channel. We observe clear separation of the excited state masses from the ground state mass. States of spin >= 5/2 have been isolated by use of G{sub 2} operators.

  16. THEORETICAL ESTIMATES OF TWO-POINT SHEAR CORRELATION FUNCTIONS USING TANGLED MAGNETIC FIELDS

    SciTech Connect

    Pandey, Kanhaiya L.; Sethi, Shiv K.

    2012-03-20

    The existence of primordial magnetic fields can induce matter perturbations with additional power at small scales as compared to the usual {Lambda}CDM model. We study its implication within the context of a two-point shear correlation function from gravitational lensing. We show that a primordial magnetic field can leave its imprints on the shear correlation function at angular scales {approx}< a few arcminutes. The results are compared with CFHTLS data, which yield some of the strongest known constraints on the parameters (strength and spectral index) of the primordial magnetic field. We also discuss the possibility of detecting sub-nano Gauss fields using future missions such as SNAP.

  17. Probing Galactic Structure with the Spatial Correlation Function of SEGUE G-dwarf Stars

    NASA Astrophysics Data System (ADS)

    Mao, Q.; Berlind, A. A.; Holley-Bockelmann, K.; Schlesinger, K. J.; Johnson, J. A.; Rockosi, C. M.

    2014-03-01

    We measure the 3-D two-point correlation function statistic of G-dwarf stars in the Milky Way. The G-dwarf sample is constructed from SDSS SEGUE data by Schlesinger et al. (2012). We find that the shapes of the correlation functions along individual SEGUE lines of sight depend sensitively on both the stellar density gradients and the survey geometry. We compare these SEGUE measurements with mock measurements from smooth disk galaxy models to obtain strong constraints on the thin and thick disk components of the Milky Way.

  18. Current Density Functional Theory Using Meta-Generalized Gradient Exchange-Correlation Functionals.

    PubMed

    Furness, James W; Verbeke, Joachim; Tellgren, Erik I; Stopkowicz, Stella; Ekström, Ulf; Helgaker, Trygve; Teale, Andrew M

    2015-09-01

    We present the self-consistent implementation of current-dependent (hybrid) meta-generalized gradient approximation (mGGA) density functionals using London atomic orbitals. A previously proposed generalized kinetic energy density is utilized to implement mGGAs in the framework of Kohn-Sham current density functional theory (KS-CDFT). A unique feature of the nonperturbative implementation of these functionals is the ability to seamlessly explore a wide range of magnetic fields up to 1 au (∼235 kT) in strength. CDFT functionals based on the TPSS and B98 forms are investigated, and their performance is assessed by comparison with accurate coupled-cluster singles, doubles, and perturbative triples (CCSD(T)) data. In the weak field regime, magnetic properties such as magnetizabilities and nuclear magnetic resonance shielding constants show modest but systematic improvements over generalized gradient approximations (GGA). However, in the strong field regime, the mGGA-based forms lead to a significantly improved description of the recently proposed perpendicular paramagnetic bonding mechanism, comparing well with CCSD(T) data. In contrast to functionals based on the vorticity, these forms are found to be numerically stable, and their accuracy at high field suggests that the extension of mGGAs to CDFT via the generalized kinetic energy density should provide a useful starting point for further development of CDFT approximations.

  19. Current Density Functional Theory Using Meta-Generalized Gradient Exchange-Correlation Functionals.

    PubMed

    Furness, James W; Verbeke, Joachim; Tellgren, Erik I; Stopkowicz, Stella; Ekström, Ulf; Helgaker, Trygve; Teale, Andrew M

    2015-09-01

    We present the self-consistent implementation of current-dependent (hybrid) meta-generalized gradient approximation (mGGA) density functionals using London atomic orbitals. A previously proposed generalized kinetic energy density is utilized to implement mGGAs in the framework of Kohn-Sham current density functional theory (KS-CDFT). A unique feature of the nonperturbative implementation of these functionals is the ability to seamlessly explore a wide range of magnetic fields up to 1 au (∼235 kT) in strength. CDFT functionals based on the TPSS and B98 forms are investigated, and their performance is assessed by comparison with accurate coupled-cluster singles, doubles, and perturbative triples (CCSD(T)) data. In the weak field regime, magnetic properties such as magnetizabilities and nuclear magnetic resonance shielding constants show modest but systematic improvements over generalized gradient approximations (GGA). However, in the strong field regime, the mGGA-based forms lead to a significantly improved description of the recently proposed perpendicular paramagnetic bonding mechanism, comparing well with CCSD(T) data. In contrast to functionals based on the vorticity, these forms are found to be numerically stable, and their accuracy at high field suggests that the extension of mGGAs to CDFT via the generalized kinetic energy density should provide a useful starting point for further development of CDFT approximations. PMID:26575912

  20. Characterization of maximally random jammed sphere packings. II. Correlation functions and density fluctuations.

    PubMed

    Klatt, Michael A; Torquato, Salvatore

    2016-08-01

    In the first paper of this series, we introduced Voronoi correlation functions to characterize the structure of maximally random jammed (MRJ) sphere packings across length scales. In the present paper, we determine a variety of different correlation functions that arise in rigorous expressions for the effective physical properties of MRJ sphere packings and compare them to the corresponding statistical descriptors for overlapping spheres and equilibrium hard-sphere systems. Such structural descriptors arise in rigorous bounds and formulas for effective transport properties, diffusion and reactions constants, elastic moduli, and electromagnetic characteristics. First, we calculate the two-point, surface-void, and surface-surface correlation functions, for which we derive explicit analytical formulas for finite hard-sphere packings. We show analytically how the contact Dirac delta function contribution to the pair correlation function g_{2}(r) for MRJ packings translates into distinct functional behaviors of these two-point correlation functions that do not arise in the other two models examined here. Then we show how the spectral density distinguishes the MRJ packings from the other disordered systems in that the spectral density vanishes in the limit of infinite wavelengths; i.e., these packings are hyperuniform, which means that density fluctuations on large length scales are anomalously suppressed. Moreover, for all model systems, we study and compute exclusion probabilities and pore size distributions, as well as local density fluctuations. We conjecture that for general disordered hard-sphere packings, a central limit theorem holds for the number of points within an spherical observation window. Our analysis links problems of interest in material science, chemistry, physics, and mathematics. In the third paper of this series, we will evaluate bounds and estimates of a host of different physical properties of the MRJ sphere packings that are based on the

  1. Characterization of maximally random jammed sphere packings. II. Correlation functions and density fluctuations

    NASA Astrophysics Data System (ADS)

    Klatt, Michael A.; Torquato, Salvatore

    2016-08-01

    In the first paper of this series, we introduced Voronoi correlation functions to characterize the structure of maximally random jammed (MRJ) sphere packings across length scales. In the present paper, we determine a variety of different correlation functions that arise in rigorous expressions for the effective physical properties of MRJ sphere packings and compare them to the corresponding statistical descriptors for overlapping spheres and equilibrium hard-sphere systems. Such structural descriptors arise in rigorous bounds and formulas for effective transport properties, diffusion and reactions constants, elastic moduli, and electromagnetic characteristics. First, we calculate the two-point, surface-void, and surface-surface correlation functions, for which we derive explicit analytical formulas for finite hard-sphere packings. We show analytically how the contact Dirac delta function contribution to the pair correlation function g2(r ) for MRJ packings translates into distinct functional behaviors of these two-point correlation functions that do not arise in the other two models examined here. Then we show how the spectral density distinguishes the MRJ packings from the other disordered systems in that the spectral density vanishes in the limit of infinite wavelengths; i.e., these packings are hyperuniform, which means that density fluctuations on large length scales are anomalously suppressed. Moreover, for all model systems, we study and compute exclusion probabilities and pore size distributions, as well as local density fluctuations. We conjecture that for general disordered hard-sphere packings, a central limit theorem holds for the number of points within an spherical observation window. Our analysis links problems of interest in material science, chemistry, physics, and mathematics. In the third paper of this series, we will evaluate bounds and estimates of a host of different physical properties of the MRJ sphere packings that are based on the

  2. Correlation function analysis of the COBE differential microwave radiometer sky maps

    SciTech Connect

    Lineweaver, C.H. |

    1994-08-01

    The Differential Microwave Radiometer (DMR) aboard the COBE satellite has detected anisotropies in the cosmic microwave background (CMB) radiation. A two-point correlation function analysis which helped lead to this discovery is presented in detail. The results of a correlation function analysis of the two year DMR data set is presented. The first and second year data sets are compared and found to be reasonably consistent. The positive correlation for separation angles less than {approximately}20{degree} is robust to Galactic latitude cuts and is very stable from year to year. The Galactic latitude cut independence of the correlation function is strong evidence that the signal is not Galactic in origin. The statistical significance of the structure seen in the correlation function of the first, second and two year maps is respectively > 9{sigma}, > 10{sigma} and > 18{sigma} above the noise. The noise in the DMR sky maps is correlated at a low level. The structure of the pixel temperature covariance matrix is given. The noise covariance matrix of a DMR sky map is diagonal to an accuracy of better than 1%. For a given sky pixel, the dominant noise covariance occurs with the ring of pixels at an angular separation of 60{degree} due to the 60{degree} separation of the DMR horns. The mean covariance of 60{degree} is 0.45%{sub {minus}0.14}{sup +0.18} of the mean variance. The noise properties of the DMR maps are thus well approximated by the noise properties of maps made by a single-beam experiment. Previously published DMR results are not significantly affected by correlated noise.

  3. Correlation between visual function and refractive, topographic, pachymetric and aberrometric data in eyes with keratoconus

    PubMed Central

    Bayraktar Bilen, Neslihan; Hepsen, Ibrahim F.; Arce, Carlos G.

    2016-01-01

    AIM To analyze the relationship between two visual functions and refractive, topographic, pachymetric and aberrometric indicators in eyes with keratoconus. METHODS Corrected distance visual acuity (CDVA), and letter contrast sensitivity (CS) were correlated with refraction, corneal topography, pachymetry, and total corneal wavefront data prospectively in 71 eyes with keratoconus. The topographic indices assessed were simulated keratometry for the flattest and steepest meridians (SimK1 and SimK2), posterior steeper K (Ks), elevation value in best-fit sphere (BFS) maps, squared eccentricity (Є2), aspheric asymmetric index (AAI), pachymetry, thickness progression index (TPI), the amount of pachymetric decentralization (APD), and GalileiTM-keratoconus indices. RESULTS The mean CDVA (expressed as logMAR) were 0.25±0.21. The mean CS was 1.25±0.46. The spherical refraction correlated well with CDVA (r=-0.526, P<0.001). From topographic indices, SRI correlated with CS (r=-0.695), and IAI with CS (r=-0.672) (P<0.001 for all). Root mean square (RMS) was 4.3±1.81 µm, spherical aberration (SA) was -0.4±0.67 µm, vertical and horizontal coma were -2.1±1.47 and -0.4±0.72 µm. All wavefront data (except horizontal coma), AAI, Є2 and maximum BFS correlated significantly with the visual function (P≤0.001 for all). CONCLUSION In this study, CS is more affected than CDVA as a visual function. The quantity and quality of vision is significantly correlated with well-known and new topographic indices. There is not a significant correlation between visual function and pachymetric parameters. The significantly correlated indices can be used in staging keratoconus and to follow the outcome of a treatment. PMID:27588266

  4. Density functional with full exact exchange, balanced nonlocality of correlations, and constraint satisfaction

    SciTech Connect

    Tao, Jianmin; Perdew, John P; Staroverov, Viktor N; Scuseria, Gustavo E

    2008-01-01

    We construct a nonlocal density functional approximation with full exact exchange, while preserving the constraint-satisfaction approach and justified error cancellations of simpler semilocal functionals. This is achieved by interpolating between different approximations suitable for two extreme regions of the electron density. In a 'normal' region, the exact exchange-correlation hole density around an electron is semilocal because its spatial range is reduced by correlation and because it integrates over a narrow range to -1. These regions are well described by popular semilocal approximations (many of which have been constructed nonempirically), because of proper accuracy for a slowly-varying density or because of error cancellation between exchange and correlation. 'Abnormal' regions, where non locality is unveiled, include those in which exchange can dominate correlation (one-electron, nonuniform high-density, and rapidly-varying limits), and those open subsystems of fluctuating electron number over which the exact exchange-correlation hole integrates to a value greater than -1. Regions between these extremes are described by a hybrid functional mixing exact and semi local exchange energy densities locally (i.e., with a mixing fraction that is a function of position r and a functional of the density). Because our mixing fraction tends to 1 in the high-density limit, we employ full exact exchange according to the rigorous definition of the exchange component of any exchange-correlation energy functional. Use of full exact exchange permits the satisfaction of many exact constraints, but the nonlocality of exchange also requires balanced nonlocality of correlation. We find that this nonlocality can demand at least five empirical parameters (corresponding roughly to the four kinds of abnormal regions). Our local hybrid functional is perhaps the first accurate size-consistent density functional with full exact exchange. It satisfies other known exact constraints

  5. The effect of the exchange-correlation functional on H2 dissociation on Ru(0001)

    NASA Astrophysics Data System (ADS)

    Wijzenbroek, M.; Kroes, G. J.

    2014-02-01

    The specific reaction parameter (SRP) approach to density functional theory (DFT) has enabled a chemically accurate description of reactive scattering experiments for activated H2-metal systems (H2 + Cu(111) and Cu(100)), but its application has not yet resulted in a similarly accurate description of non-activated or weakly activated H2-metal systems. In this study, the effect of the choice of the exchange-correlation functional in DFT on the potential energy surface and dynamics of H2 dissociation on Ru(0001), a weakly activated system, is investigated. In total, full potential energy surfaces were calculated for over 20 different functionals. The functionals investigated include functionals incorporating an approximate description of the van der Waals dispersion in the correlation functional (vdW-DF and vdW-DF2 functionals), as well as the revTPSS meta-GGA. With two of the functionals investigated here, which include vdW-DF and vdW-DF2 correlation, it has been possible to accurately reproduce molecular beam experiments on sticking of H2 and D2, as these functionals yield a reaction probability curve with an appropriate energy width. Diffraction probabilities computed with these two functionals are however too high compared to experimental diffraction probabilities, which are extrapolated from surface temperatures (Ts) ⩾ 500 K to 0 K using a Debye-Waller model. Further research is needed to establish whether this constitutes a failure of the two candidate SRP functionals or a failure of the Debye-Waller model, the use of which can perhaps in future be avoided by performing calculations that include the effect of surface atom displacement or motion, and thereby of the experimental Ts.

  6. Correlation of thiamine metabolite levels with cognitive function in the non-demented elderly.

    PubMed

    Lu, Jingwen; Pan, Xiaoli; Fei, Guoqiang; Wang, Changpeng; Zhao, Lei; Sang, Shaoming; Liu, Huimin; Liu, Meng; Wang, Hui; Wang, Zhiliang; Zhong, Chunjiu

    2015-12-01

    Thiamine metabolism is critical for glucose metabolism and also vital for brain function, which is susceptible to decline in the elderly. This study aimed to investigate whether thiamine metabolites correlate with cognitive function in the non-demented elderly and their impact factors. Volunteers >60 years old were recruited and their blood thiamine metabolites and Mini-Mental State Examination (MMSE) scores were measured. The apolipoprotein E (APOE) genotype, routine blood parameters, liver and kidney function, and levels of fasting blood glucose and triglycerides were also measured. The results showed that the thiamine diphosphate (TDP) level weakly correlated with MMSE score in the non-demented elderly. Participants with high TDP levels performed better in Recall and Attention and Calculation than those with low TDP. TDP levels were associated with the APOE ε2 allele, body mass index, hemoglobin level, fasting blood glucose, and triglycerides. Our results suggest that TDP, which is easily affected by many factors, impacts cognitive function in the elderly.

  7. Getting full control of canonical correlation analysis with the AutoBiplot.CCA function

    NASA Astrophysics Data System (ADS)

    Alves, M. Rui

    2016-06-01

    Function AutoBiplot.CCA was built in R language. Given two multivariate data sets, this function carries out a conventional canonical correlation analysis, followed by the automatic production of predictive biplots based on the accuracy of readings as assessed by a mean standard predictive error and a user defined tolerance value. As the user's intervention is mainly restricted to the choice of the magnitude of the t.axis value, common misinterpretations, overestimations and adjustments between outputs and personal beliefs are avoided.

  8. Fish functional traits correlated with environmental variables in a temperate biodiversity hotspot.

    PubMed

    Keck, Benjamin P; Marion, Zachary H; Martin, Derek J; Kaufman, Jason C; Harden, Carol P; Schwartz, John S; Strange, Richard J

    2014-01-01

    The global biodiversity crisis has invigorated the search for generalized patterns in most disciplines within the natural sciences. Studies based on organismal functional traits attempt to broaden implications of results by identifying the response of functional traits, instead of taxonomic units, to environmental variables. Determining the functional trait responses enables more direct comparisons with, or predictions for, communities of different taxonomic composition. The North American freshwater fish fauna is both diverse and increasingly imperiled through human mediated disturbances, including climate change. The Tennessee River, USA, contains one of the most diverse assemblages of freshwater fish in North America and has more imperiled species than other rivers, but there has been no trait-based study of community structure in the system. We identified 211 localities in the upper Tennessee River that were sampled by the Tennessee Valley Authority between 2009 and 2011 and compiled fish functional traits for the observed species and environmental variables for each locality. Using fourth corner analysis, we identified significant correlations between many fish functional traits and environmental variables. Functional traits associated with an opportunistic life history strategy were correlated with localities subject to greater land use disturbance and less flow regulation, while functional traits associated with a periodic life history strategy were correlated with localities subject to regular disturbance and regulated flow. These are patterns observed at the continental scale, highlighting the generalizability of trait-based methods. Contrary to studies that found no community structure differences when considering riparian buffer zones, we found that fish functional traits were correlated with different environmental variables between analyses with buffer zones vs. entire catchment area land cover proportions. Using existing databases and fourth corner

  9. Fish Functional Traits Correlated with Environmental Variables in a Temperate Biodiversity Hotspot

    PubMed Central

    Keck, Benjamin P.; Marion, Zachary H.; Martin, Derek J.; Kaufman, Jason C.; Harden, Carol P.; Schwartz, John S.; Strange, Richard J.

    2014-01-01

    The global biodiversity crisis has invigorated the search for generalized patterns in most disciplines within the natural sciences. Studies based on organismal functional traits attempt to broaden implications of results by identifying the response of functional traits, instead of taxonomic units, to environmental variables. Determining the functional trait responses enables more direct comparisons with, or predictions for, communities of different taxonomic composition. The North American freshwater fish fauna is both diverse and increasingly imperiled through human mediated disturbances, including climate change. The Tennessee River, USA, contains one of the most diverse assemblages of freshwater fish in North America and has more imperiled species than other rivers, but there has been no trait-based study of community structure in the system. We identified 211 localities in the upper Tennessee River that were sampled by the Tennessee Valley Authority between 2009 and 2011 and compiled fish functional traits for the observed species and environmental variables for each locality. Using fourth corner analysis, we identified significant correlations between many fish functional traits and environmental variables. Functional traits associated with an opportunistic life history strategy were correlated with localities subject to greater land use disturbance and less flow regulation, while functional traits associated with a periodic life history strategy were correlated with localities subject to regular disturbance and regulated flow. These are patterns observed at the continental scale, highlighting the generalizability of trait-based methods. Contrary to studies that found no community structure differences when considering riparian buffer zones, we found that fish functional traits were correlated with different environmental variables between analyses with buffer zones vs. entire catchment area land cover proportions. Using existing databases and fourth corner

  10. Core Noise Diagnostics of Turbofan Engine Noise Using Correlation and Coherence Functions

    NASA Technical Reports Server (NTRS)

    Miles, Jeffrey H.

    2009-01-01

    Cross-correlation and coherence functions are used to look for periodic acoustic components in turbofan engine combustor time histories, to investigate direct and indirect combustion noise source separation based on signal propagation time delays, and to provide information on combustor acoustics. Using the cross-correlation function, time delays were identified in all cases, clearly indicating the combustor is the source of the noise. In addition, unfiltered and low-pass filtered at 400 Hz signals had a cross-correlation time delay near 90 ms, while the low-pass filtered at less than 400 Hz signals had a cross-correlation time delay longer than 90 ms. Low-pass filtering at frequencies less than 400 Hz partially removes the direct combustion noise signals. The remainder includes the indirect combustion noise signal, which travels more slowly because of the dependence on the entropy convection velocity in the combustor. Source separation of direct and indirect combustion noise is demonstrated by proper use of low-pass filters with the cross-correlation function for a range of operating conditions. The results may lead to a better idea about the acoustics in the combustor and may help develop and validate improved reduced-order physics-based methods for predicting direct and indirect combustion noise.

  11. Pion correlations as a function of atomic mass in heavy ion collisions

    SciTech Connect

    Chacon, A.D.

    1989-11-26

    The method of two pion interferometry was used to obtain source-size and lifetime parameters for the pions produced in heavy ion collisions. The systems used were 1.70 {center dot} A GeV {sup 56}Fe + Fe, 1.82 {center dot} A GeV {sup 40}Ar + KCl and 1.54 {center dot} A GeV {sup 93}Nb + Nb, allowing for a search for dependences on the atomic number. Two acceptances (centered, in the lab., at {approximately} 0{degrees} and 45{degrees}) were used for each system, allowing a search for dependences on the viewing angle. The correlation functions were calculated by comparing the data samples to background (or reference) samples made using the method of event mixing, where pions from different events are combined to produce a data sample in which the Bose-Einstein correlation effect is absent. The effect of the correlation function on the background samples is calculated, and a method for weighting the events to remove the residual correlation effect is presented. The effect of the spectrometer design on the measured correlation functions is discussed, as are methods for correcting for these effects during the data analysis. 58 refs., 39 figs., 18 tabs.

  12. Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation

    NASA Astrophysics Data System (ADS)

    Wellendorff, Jess; Lundgaard, Keld T.; Møgelhøj, Andreas; Petzold, Vivien; Landis, David D.; Nørskov, Jens K.; Bligaard, Thomas; Jacobsen, Karsten W.

    2012-06-01

    A methodology for semiempirical density functional optimization, using regularization and cross-validation methods from machine learning, is developed. We demonstrate that such methods enable well-behaved exchange-correlation approximations in very flexible model spaces, thus avoiding the overfitting found when standard least-squares methods are applied to high-order polynomial expansions. A general-purpose density functional for surface science and catalysis studies should accurately describe bond breaking and formation in chemistry, solid state physics, and surface chemistry, and should preferably also include van der Waals dispersion interactions. Such a functional necessarily compromises between describing fundamentally different types of interactions, making transferability of the density functional approximation a key issue. We investigate this trade-off between describing the energetics of intramolecular and intermolecular, bulk solid, and surface chemical bonding, and the developed optimization method explicitly handles making the compromise based on the directions in model space favored by different materials properties. The approach is applied to designing the Bayesian error estimation functional with van der Waals correlation (BEEF-vdW), a semilocal approximation with an additional nonlocal correlation term. Furthermore, an ensemble of functionals around BEEF-vdW comes out naturally, offering an estimate of the computational error. An extensive assessment on a range of data sets validates the applicability of BEEF-vdW to studies in chemistry and condensed matter physics. Applications of the approximation and its Bayesian ensemble error estimate to two intricate surface science problems support this.

  13. Paternal correlates of cognitive and behavioral functioning in children with myelomeningocele.

    PubMed

    Wohlfeiler, Melissa M; Macias, Michelle M; Saylor, Conway F

    2008-11-01

    This study examined paternal correlates of the cognitive and behavioral functioning of children with myelomeningocele, when controlling for maternal and biological/child correlates as possible sources of variance. Participants were 48 parent dyads of children with myelomeningocele (21 males, 27 females) between the ages of 4 and 12 years (mean 8y, 2mo, SD 2y 3mo). Lesion levels of participants ranged from the thoracic to sacral (thoracic-L3: n=15; L4-L5: n=15; sacral or lipomeningocele: n=18), of whom 38 had been shunted for hydrocephalus. Half of the participants (n=24) were community ambulators. Potential predictors of cognitive and behavioral functioning included paternal and maternal parenting stress, as assessed by the Parenting Stress Index - Short Form paternal, and maternal perceptions of support and resources, as assessed by the Family Resource Scale and the Family Support Scale, and child medical severity. Paternal variables significantly correlated with behavioral functioning but not with cognitive functioning. Regression analyses revealed that paternal personal distress and maternal perceived adequacy of social support accounted for significant variance in overall child behavioral functioning. Only child medical severity and annual household income explained significant variance in overall child cognitive functioning. These findings add to the growing body of theory and research documenting that fathers make unique and significant contributions to child adjustment in children with myelomeningocele. Both fathers and mothers need to be considered in interventions supporting development and adjustment of children with myelomeningocele and their families.

  14. Polynomial scaling approximations and dynamic correlation corrections to doubly occupied configuration interaction wave functions.

    PubMed

    Van Raemdonck, Mario; Alcoba, Diego R; Poelmans, Ward; De Baerdemacker, Stijn; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo E; Van Neck, Dimitri; Bultinck, Patrick

    2015-09-14

    A class of polynomial scaling methods that approximate Doubly Occupied Configuration Interaction (DOCI) wave functions and improve the description of dynamic correlation is introduced. The accuracy of the resulting wave functions is analysed by comparing energies and studying the overlap between the newly developed methods and full configuration interaction wave functions, showing that a low energy does not necessarily entail a good approximation of the exact wave function. Due to the dependence of DOCI wave functions on the single-particle basis chosen, several orbital optimisation algorithms are introduced. An energy-based algorithm using the simulated annealing method is used as a benchmark. As a computationally more affordable alternative, a seniority number minimising algorithm is developed and compared to the energy based one revealing that the seniority minimising orbital set performs well. Given a well-chosen orbital basis, it is shown that the newly developed DOCI based wave functions are especially suitable for the computationally efficient description of static correlation and to lesser extent dynamic correlation.

  15. ISOTROPY IN THE TWO-POINT ANGULAR CORRELATION FUNCTION OF THE COSMIC MICROWAVE BACKGROUND

    SciTech Connect

    Zhang, Sophie

    2012-04-01

    We study the directional dependence of the angular two-point correlation function in maps of the cosmic microwave background (CMB). We propose two new statistics: one which measures the correlation of each point in the sky with a ring of points separated an angle {theta} away, and a second one that measures the missing angular correlation above 60 deg as a function of direction. Using these statistics, we find that most of the low power in cut-sky maps measured by the Wilkinson Microwave Anisotropy Probe experiment comes from unusually low contributions from the directions of the lobes of the quadrupole and the octupole. These findings may aid a future explanation of why the CMB exhibits low power at large angular scales.

  16. Multi-configurational explicitly correlated wave functions for the study of confined many electron atoms

    NASA Astrophysics Data System (ADS)

    Sarsa, A.; Buendía, E.; Gálvez, F. J.

    2016-07-01

    Explicitly correlated wave functions to study confined atoms under impenetrable spherical walls have been obtained. Configuration mixing and a correlation factor are included in the variational ansatz. The behaviors of the ground state and some low-lying excited states of He, Be, B and C atoms with the confinement size are analyzed. Level crossing with confinement is found for some cases. This effect is analyzed in terms of the single particle energy of the occupied orbitals. The multi-configuration parameterized optimized effective potential method is employed with a cut-off factor to account for Dirichlet boundary conditions. The variational Monte Carlo method is used to deal with explicitly correlated wave functions.

  17. Accurate and efficient calculation of discrete correlation functions and power spectra

    NASA Astrophysics Data System (ADS)

    Xu, Y. F.; Liu, J. M.; Zhu, W. D.

    2015-07-01

    Operational modal analysis (OMA), or output-only modal analysis, has been widely conducted especially when excitation applied on a structure is unknown or difficult to measure. Discrete cross-correlation functions and cross-power spectra between a reference data series and measured response data series are bases for OMA to identify modal properties of a structure. Such functions and spectra can be efficiently transformed from each other using the discrete Fourier transform (DFT) and inverse DFT (IDFT) based on the cross-correlation theorem. However, a direct application of the theorem and transforms, including the DFT and IDFT, can yield physically erroneous results due to periodic extension of the DFT on a function of a finite length to be transformed, which is false most of the time. Padding zero series to ends of data series before applying the theorem and transforms can reduce the errors, but the results are still physically erroneous. A new methodology is developed in this work to calculate discrete cross-correlation functions of non-negative time delays and associated cross-power spectra, referred to as half spectra, for OMA. The methodology can be extended to cross-correlation functions of any time delays and associated cross-power spectra, referred to as full spectra. The new methodology is computationally efficient due to use of the transforms. Data series are properly processed to avoid the errors caused by the periodic extension, and the resulting cross-correlation functions and associated cross-power spectra perfectly comply with their definitions. A coherence function, a convergence function, and a convergence index are introduced to evaluate qualities of measured cross-correlation functions and associated cross-power spectra. The new methodology was numerically and experimentally applied to an ideal two-degree-of-freedom (2-DOF) mass-spring-damper system and a damaged aluminum beam, respectively, and OMA was conducted using half spectra to estimate

  18. Reduction in lung functions in type-2 diabetes in Indian population: correlation with glycemic status.

    PubMed

    Dharwadkar, Anand R; Dharwadkar, Asha A; Banu, Gouher; Bagali, Shrilaxmi

    2011-01-01

    The purpose of this study was to evaluate pulmonary functions in patients with Type-2 diabetes mellitus and to determine their correlation with glycemic status of diabetes in Indian population. Forty Type-2 diabetic patients, aged 30-60 years, with diabetic duration of 1-20 years, were included in the study. FVC, FEV1, & FEV1% are recorded by Benedict's Roth spirometer. PEFR and MEP were recorded by Wright's Peak flow meter & Modified Black's apparatus. Glycemic status of subjects was determined by FBS & PPBS by Glucose oxidase & peroxidase methods. And results were analyzed by calculating Mean +/- SD, using Student's t test, and Pearson correlation. All the respiratory parameters are reduced in Type-2 diabetic patients compared to control of which FEV1, FEV1%, & MEP show very highly significant reduction (P=0.000). Lung functions are negatively correlated with glycemic status & duration of diabetes. (r = -0.390, & -0.342) Reduction in dynamic lung functions and its negative correlation to glycemic status might be due to respiratory muscle weakness as indicated by highly significant reduction in MEP. Hence strict glycemic control and breathing exercises to strengthen the respiratory muscles may improve lung function in diabetics. PMID:22319899

  19. Computer Simulation for Calculating the Second-Order Correlation Function of Classical and Quantum Light

    ERIC Educational Resources Information Center

    Facao, M.; Lopes, A.; Silva, A. L.; Silva, P.

    2011-01-01

    We propose an undergraduate numerical project for simulating the results of the second-order correlation function as obtained by an intensity interference experiment for two kinds of light, namely bunched light with Gaussian or Lorentzian power density spectrum and antibunched light obtained from single-photon sources. While the algorithm for…

  20. Exchange-correlation functionals from a local interpolation along the adiabatic connection

    NASA Astrophysics Data System (ADS)

    Vuckovic, Stefan; Irons, Tom; Teale, Andrew; Savin, Andreas; Gori-Giorgi, Paola

    We use the adiabatic connection formalism to construct a density functional by doing an interpolation between the weak and the strong coupling regime. Combining the information from the two limits, we are able to construct an exchange-correlation (xc) density functional free of the bias towards weakly correlated system, which is present in the majority of approximate xc functionals. Previous attempts in doing the interpolation between the two regimes, such as the interaction strength interpolation (ISI), had a fundamental flaw: the lack of size-consistency, as the corresponding functional depends non-linearly on the global (integrated over all space) ingredients. To recover size-consistency in such a framework, we move from the global to local quantities. We use the energy densities as local quantities in the gauge of the electrostatic potential of the xc hole. We use the ``strictly-correlated electrons'' (SCE) approach to compute the energy densities in the strong-coupling limit and the Lieb maximization algorithm to extract the energy densities from the low-coupling regime. We then test the accuracy of the local interpolation schemes by using the nearly exact local energy densities. In this talk I am going to present our results with the emphasis on strongly correlated systems.

  1. Correlation functions for a di-neutron condensate in asymmetric nuclear matter

    NASA Astrophysics Data System (ADS)

    Isayev, A. A.

    2008-07-01

    Recent calculations with an effective isospin-dependent contact interaction show the possibility of the crossover from superfluidity of neutron Cooper pairs in the S10 pairing channel to Bose-Einstein condensation (BEC) of di-neutron bound states in dilute nuclear matter. The density and spin correlation functions are calculated for a di-neutron condensate in asymmetric nuclear matter with the aim of finding the possible features of the BCS-BEC crossover. It is shown that the zero-momentum transfer spin correlation function satisfies the sum rule at zero temperature. In symmetric nuclear matter, the density correlation function changes sign at low momentum transfer across the BCS-BEC transition, and this feature can be considered as a signature of the crossover. At finite isospin asymmetry, this criterion gives too large a value for the critical asymmetry αcd~0.9, at which the BEC state is quenched. Therefore, it can be trusted for the description of the density-driven BCS-BEC crossover of neutron pairs only at small isospin asymmetry. This result generalizes the conclusion of the study in Phys. Rev. Lett. 95, 090402 (2005), where the change of sign of the density correlation function at low momentum transfer in two-component quantum fermionic atomic gas with the balanced populations of fermions of different species was considered as an unambiguous signature of the BCS-BEC transition.

  2. Individual Differences in General Intelligence Correlate with Brain Function during Nonreasoning Tasks.

    ERIC Educational Resources Information Center

    Haier, Richard J.; White, Nathan S.; Alkire, Michael T.

    2003-01-01

    Administered Raven's Advanced Progressive Matrices to 22 adults and measured cerebral glucose activity as subjects viewed videos on 2 occasions. Data provide evidence that individual differences in intelligence correlate with brain function even when the brain is engaged in non-reasoning tasks. (SLD)

  3. Monitoring of quantum mode correlation functions in the presence of pointer state phase relaxation

    NASA Astrophysics Data System (ADS)

    Trifanova, E.; Trifanov, A.

    2016-08-01

    In present work we investigate the process of interaction between two-level atom- pointer and cavity mode to obtain correlation functions of mode quantum state. In particular, we analyze the protocol of indirect photodetection which allow estimations for average values of photon number operator in any order using statistics of atom state detector clicks.

  4. Correlates of Communalities as Matching Variables in Differential Item Functioning Analyses

    ERIC Educational Resources Information Center

    Yildirim, Huseyin H.; Yildirim, Selda

    2011-01-01

    Multivariate matching in Differential Item Functioning (DIF) analyses may contribute to understand the sources of DIF. In this context, detecting appropriate additional matching variables is a crucial issue. This present article argues that the variables which are correlated with communalities in item difficulties can be used as an additional…

  5. Correlation of CT cerebral vascular territories with function. 3. Middle cerebral artery

    SciTech Connect

    Berman, S.A.; Hayman, L.A.; Hinck, V.C.

    1984-05-01

    Schematic displays are presented of the cerebral territories supplied by branches of the middle cerebral artery as they would appear on axial and coronal computed tomographic (CT) scan sections. Companion diagrams of regional cortical function and a discussion of the fiber tracts are provided to simplify correlation of clinical deficits with coronal and axial CT abnormalities.

  6. Correlation analysis between four serum biomarkers of liver fibrosis and liver function in infants with cholestasis

    PubMed Central

    TANG, NING; ZHANG, YAPING; LIU, ZEYU; FU, TAO; LIANG, QINGHONG; AI, XUEMEI

    2016-01-01

    The aim of the present study was to investigate the correlation between four serum biomarkers of liver fibrosis and liver function in infants with cholestasis. A total of 30 infants with cholestasis and 20 healthy infants were included in the study. Biochemical assays based on the initial rate method and colorimetric assays were conducted to determine the levels of liver function markers in the serum [such as alanine aminotransferase (ALT), aspartate aminotransferase (AST), total bilirubin (TBIL), direct bilirubin (DBIL), indirect bilirubin (IBIL), γ-glutamyl transferase (γ-GT), cholinesterase (CHE) and total bile acids (TBA)] and four serum biomarkers of liver fibrosis were measured using radioimmunoassays [hyaluronic acid (HA), procollagen type III (PCIII), laminin (LN) and collagen type IV (cIV)]. The serum levels of ALT, AST, TBIL, DBIL, IBIL, γ-GT and TBA in the infants with cholestasis were significantly higher compared to the healthy infants (P<0.01); the serum levels of CHE in the infants with cholestasis were significantly lower compared to the healthy infants (P<0.01). The serum levels of HA, PCIII, and cIV in the infants with cholestasis were significantly higher compared to the healthy infants (P<0.01). Correlation analyses between liver function and the four biomarkers of liver fibrosis showed that HA was positively correlated with AST and γ-GT (P<0.05) and negatively correlated with ALT, CHE and TBA (P<0.05). cIV was positively correlated with γ-GT (P<0.05) and negatively correlated with CHE (P<0.05). In conclusion, statistically significant differences were identified for the liver function markers (ALT, AST, TBIL, DBIL, IBIL, γ-GT and TBA) and the biomarkers HA, PCIII and cIV of liver fibrosis between infants with cholestasis and healthy infants. Thus, the serum levels of HA, cIV, γ-GT and CHE are sensitive markers for cholestatic liver fibrosis in infants. PMID:27347413

  7. Photographic Measurements Partially Correlate to Nasal Function and Appearance among Adult Cleft Patients

    PubMed Central

    Keijser, Klara; Nowinski, Daniel

    2016-01-01

    Background: Unilateral cleft lip and palate (UCLP) affects nasal function and appearance. There is a lack of objective measurements to evaluate these features. This study analyzes whether objective measurements on photographs correlate with nasal function and/or appearance among adults treated for UCLP. Methods: All patients with UCLP born from 1960 to 1987 treated at the Uppsala University Hospital were invited (n = 109). Participation rate was 68% (n = 74); mean follow-up was 35 years. An age-matched control group (n = 61) underwent the same tests. Nostril area, nasal tip deviation angle, and width of the nostril were measured on photographs and were compared with functional tests and with appearance as assessed by self-assessment questionnaire, professional panel, or laymen panel. Results: The photographically measured nostril area correlated with nasal volume (acoustic rhinometry) among UCLP patients, both cleft side and noncleft side, and controls (0.331, P = 0.005; 0.338, P = 0.004; and 0.420, P < 0.001, respectively). For the patients’ noncleft side and controls, the area correlated inversely with airflow resistance at inspiration (noncleft side: −0.245, P = 0.043; controls: −0.226, P = 0.013). Laymen assessment of nasal appearance correlated with width ratio of the patients (0.27, P = 0.022) and with nasal tip deviation angle and area ratio of the controls (0.26, P = 0.041, and 0.31, P = 0.015, respectively). Conclusions: Photographic measurements correlate partially with both functional tests of the nose and panel ratings of appearance. No correlation was found with self-assessment of appearance. Evaluation of photographs needs to be combined with patient-reported outcome measures to be a valuable endpoint of nasal appearance. PMID:27579244

  8. Pulmonary thallium uptake: Correlation with systolic and diastolic left ventricular function at rest and during exercise

    SciTech Connect

    Mannting, F. )

    1990-05-01

    Quantified pulmonary 201-thallium uptake, assessed as pulmonary/myocardial ratios (PM) and body surface area-corrected absolute pulmonary uptake (Pc), was determined from single photon emission computed tomography studies in 22 normal subjects and 46 consecutive patients with coronary artery disease (CAD). By means of equilibrium radionuclide angiography (ERNA), ejection fraction (EF), peak ejection rate (PER) in end-diastolic volume (EDV/sec) and peak filling rate (PFR) in EDV/sec and stroke volume (SV/sec) units, PFR/PER ratio, and time to peak filling rate (TPFR) in milliseconds were computed at rest and during exercise (n = 35). Left ventricular response to exercise was assessed as delta EF, relative delta EF, delta EDV, and delta ESV. In normal subjects the PM ratios showed significant inverse correlation with PER at rest and with EF, PER, and PFRedv during exercise. For the left ventricular response to exercise, delta ESV showed significant correlation with the PM ratios. The body surface area-corrected pulmonary uptake values showed no correlation with any of the variables. In patients with CAD the PM ratios and Pc uptake showed significant inverse correlation with EF, PER, PFRedv and to exercise EF, exercise PER, and exercise PFRedv. For the left ventricular response to exercise, delta EF showed significant inverse correlation with the PM ratios but not with the Pc uptake. Neither in normal subjects nor in patients with CAD did any of the independent diastolic variables show significant correlation with the PM ratios or Pc values. Thus pulmonary thallium uptake is correlated with systolic left ventricular function at rest and during exercise in normal subjects and in patients with CAD but not with diastolic function. In normal subjects delta ESV and in patients with CAD, delta EF showed correlation with pulmonary thallium uptake.

  9. Genus Two Partition and Correlation Functions for Fermionic Vertex Operator Superalgebras I

    NASA Astrophysics Data System (ADS)

    Tuite, Michael P.; Zuevsky, Alexander

    2011-09-01

    We define the partition and n-point correlation functions for a vertex operator superalgebra on a genus two Riemann surface formed by sewing two tori together. For the free fermion vertex operator superalgebra we obtain a closed formula for the genus two continuous orbifold partition function in terms of an infinite dimensional determinant with entries arising from torus Szegő kernels. We prove that the partition function is holomorphic in the sewing parameters on a given suitable domain and describe its modular properties. Using the bosonized formalism, a new genus two Jacobi product identity is described for the Riemann theta series. We compute and discuss the modular properties of the generating function for all n-point functions in terms of a genus two Szegő kernel determinant. We also show that the Virasoro vector one point function satisfies a genus two Ward identity.

  10. Benchmarking exchange-correlation functionals for hydrogen at high pressures using quantum Monte Carlo

    SciTech Connect

    Clay, Raymond C.; Mcminis, Jeremy; McMahon, Jeffrey M.; Pierleoni, Carlo; Ceperley, David M.; Morales, Miguel A.

    2014-05-01

    The ab initio phase diagram of dense hydrogen is very sensitive to errors in the treatment of electronic correlation. Recently, it has been shown that the choice of the density functional has a large effect on the predicted location of both the liquid-liquid phase transition and the solid insulator-to-metal transition in dense hydrogen. To identify the most accurate functional for dense hydrogen applications, we systematically benchmark some of the most commonly used functionals using quantum Monte Carlo. By considering several measures of functional accuracy, we conclude that the van der Waals and hybrid functionals significantly outperform local density approximation and Perdew-Burke-Ernzerhof. We support these conclusions by analyzing the impact of functional choice on structural optimization in the molecular solid, and on the location of the liquid-liquid phase transition.

  11. Cosmic shear E/B-mode estimation with binned correlation function data

    NASA Astrophysics Data System (ADS)

    Becker, Matthew R.

    2013-10-01

    In this work, I study the problem of E/B-mode separation with binned cosmic shear two-point correlation function data. Motivated by previous work on E/B-mode separation with shear two-point correlation functions and the practical considerations of data analysis, I consider E/B-mode estimators which are linear combinations of the binned shear correlation function data points. I argue that for most surveys, these estimators mix E and B modes and provide proof of this mixing for the simplest case. I, then, show how to define estimators which minimize this E/B-mode mixing and give practical recipes for their construction and use. Using these optimal estimators, I demonstrate that the vector space composed of the binned shear correlation function data points can be decomposed into approximately ambiguous-, E- and B-mode subspaces. With simple Fisher information estimates, I show that a non-trivial amount of information on typical cosmological parameters is contained in the ambiguous-mode subspace computed in this formalism. Next, I give two examples which apply these practical estimators and recipes to generic problems in cosmic shear data analysis: data compression and spatially locating B-mode contamination. In particular, by using wavelet-like estimators with the shear correlation functions directly, one can pinpoint B-mode contamination to specific angular scales and extract information on its shape. Finally, I discuss how these estimators can be used as part of blinded or closed-box cosmic shear data analyses in order to assess and find B-mode contamination at high precision while avoiding observer biases.

  12. Quantum mechanical correlation functions, maximum entropy analytic continuation, and ring polymer molecular dynamics.

    PubMed

    Habershon, Scott; Braams, Bastiaan J; Manolopoulos, David E

    2007-11-01

    The maximum entropy analytic continuation (MEAC) and ring polymer molecular dynamics (RPMD) methods provide complementary approaches to the calculation of real time quantum correlation functions. RPMD becomes exact in the high temperature limit, where the thermal time betavariant Planck's over 2pi tends to zero and the ring polymer collapses to a single classical bead. MEAC becomes most reliable at low temperatures, where betavariant Planck's over 2pi exceeds the correlation time of interest and the numerical imaginary time correlation function contains essentially all of the information that is needed to recover the real time dynamics. We show here that this situation can be exploited by combining the two methods to give an improved approximation that is better than either of its parts. In particular, the MEAC method provides an ideal way to impose exact moment (or sum rule) constraints on a prior RPMD spectrum. The resulting scheme is shown to provide a practical solution to the "nonlinear operator problem" of RPMD, and to give good agreement with recent exact results for the short-time velocity autocorrelation function of liquid parahydrogen. Moreover these improvements are obtained with little extra effort, because the imaginary time correlation function that is used in the MEAC procedure can be computed at the same time as the RPMD approximation to the real time correlation function. However, there are still some problems involving long-time dynamics for which the RPMD+MEAC combination is inadequate, as we illustrate with an example application to the collective density fluctuations in liquid orthodeuterium. PMID:17994808

  13. Effect of the 3-point line change on the game dynamics in girls' minibasketball.

    PubMed

    Arias, José L; Argudo, Francisco M; Alonso, José I

    2009-09-01

    We examined the game dynamics in minibasketball when comparing two different forms of the 3-point line. During the first competition, participants used a 3-point line delimited by the free-throw lane, and 1,642 ball possessions were recorded. During the second competition, participants played with a 3-point line delimited by a rectangular area, and 1,669 ball possessions were recorded. Results from the Mann-Whitney U Test show that when playing with a 3-point line delimited by the free-throw lane, higher average values were achieved in terms of points scored, number of players taking part in the ball possessions, number of passes, and one-on-one situations.

  14. Functional correlates of the therapeutic and adverse effects evoked by thalamic stimulation for essential tremor

    PubMed Central

    Gibson, William S.; Jo, Hang Joon; Testini, Paola; Cho, Shinho; Felmlee, Joel P.; Welker, Kirk M.; Klassen, Bryan T.; Min, Hoon-Ki

    2016-01-01

    Deep brain stimulation is an established neurosurgical therapy for movement disorders including essential tremor and Parkinson’s disease. While typically highly effective, deep brain stimulation can sometimes yield suboptimal therapeutic benefit and can cause adverse effects. In this study, we tested the hypothesis that intraoperative functional magnetic resonance imaging could be used to detect deep brain stimulation-evoked changes in functional and effective connectivity that would correlate with the therapeutic and adverse effects of stimulation. Ten patients receiving deep brain stimulation of the ventralis intermedius thalamic nucleus for essential tremor underwent functional magnetic resonance imaging during stimulation applied at a series of stimulation localizations, followed by evaluation of deep brain stimulation-evoked therapeutic and adverse effects. Correlations between the therapeutic effectiveness of deep brain stimulation (3 months postoperatively) and deep brain stimulation-evoked changes in functional and effective connectivity were assessed using region of interest-based correlation analysis and dynamic causal modelling, respectively. Further, we investigated whether brain regions might exist in which activation resulting from deep brain stimulation might correlate with the presence of paraesthesias, the most common deep brain stimulation-evoked adverse effect. Thalamic deep brain stimulation resulted in activation within established nodes of the tremor circuit: sensorimotor cortex, thalamus, contralateral cerebellar cortex and deep cerebellar nuclei (FDR q < 0.05). Stimulation-evoked activation in all these regions of interest, as well as activation within the supplementary motor area, brainstem, and inferior frontal gyrus, exhibited significant correlations with the long-term therapeutic effectiveness of deep brain stimulation (P < 0.05), with the strongest correlation (P < 0.001) observed within the contralateral cerebellum. Dynamic causal

  15. Correlations Between Echocardiographic Systolic and Diastolic Function with Cardiac Catheterization in Biventricular Congenital Heart Patients.

    PubMed

    Nadorlik, H; Stiver, C; Khan, S; Miao, Y; Holzer, R; Cheatham, J P; Cua, C L

    2016-04-01

    Newer echocardiographic techniques may allow for more accurate assessment of left ventricular (LV) function. Adult studies have correlated these echocardiographic measurements with invasive data, but minimal data exist in the pediatric congenital heart population. Purpose of this study was to evaluate which echocardiographic measurements correlated best with LV systolic and diastolic catheterization parameters. Patients with two-ventricle physiology who underwent simultaneous echocardiogram and cardiac catheterization were included. Images were obtained in the four-chamber view. LV systolic echocardiographic data included ejection fraction, displacement, tissue Doppler imaging (TDI) s' wave, global longitudinal strain, and strain rate (SR) s' wave. Diastolic echocardiographic data included mitral E and A waves, TDI e' and a' waves, and SRe' and SRa' waves. E/TDI e', TDI e'/TDI a', E/SRe', and SRe'/SRa' ratios were also calculated. Catheterization dP/dt was used as a marker for systolic function, and LV end-diastolic pressure (EDP) was used as a marker for diastolic function. Correlations of the echocardiographic and catheterization values were performed using Pearson correlation. Twenty-nine patients were included (14 females, 15 males). Median age at catheterization was 3.4 years (0.04-17.4 years). dP/dt was 1258 ± 353 mmHg/s, and LVEDP was 10.8 ± 2.4 mmHg. There were no significant correlations between catheterization dP/dt and systolic echocardiographic parameters. LVEDP correlated significantly with SRe' (r = -0.4, p = 0.03), SRa' (r = -0.4, p = 0.03), and E/SRe' (r = 0.5, p = 0.004). In pediatric congenital heart patients, catheterization dP/dt did not correlate with echocardiographic measurements of LV systolic function. Further studies are needed to determine which echocardiographic parameter best describes LV systolic function in this population. Strain rate analysis significantly correlated with LVEDP. Strain rate analysis should be considered as an

  16. Communication: Two-determinant mixing with a strong-correlation density functional.

    PubMed

    Becke, Axel D

    2013-07-14

    In recent papers [A. D. Becke, J. Chem. Phys. 138, 074109 (2013); ibid. 138, 161101 (2013)], a density functional for strong correlations in quantum chemistry was introduced. The functional is designed to capture molecular dissociation limits using symmetry-restricted orbitals. Here we demonstrate that the functional describes, with good accuracy, two-determinant multi-reference states. The examples of this work involve 50∕50 mixing of symmetry-equivalent Slater determinants at avoided crossings. We employ exactly-computed exchange and fractional spin-orbital occupancies. The connection with dissociated systems and single-determinant reference states is explained.

  17. Generalized correlation functions for conductance fluctuations and the mesoscopic spin Hall effect

    NASA Astrophysics Data System (ADS)

    Ramos, J. G. G. S.; Barbosa, A. L. R.; Bazeia, D.; Hussein, M. S.; Lewenkopf, C. H.

    2012-12-01

    We study the spin Hall conductance fluctuations in ballistic mesoscopic systems. We obtain universal expressions for the spin and charge current fluctuations, cast in terms of current-current autocorrelation functions. We show that the latter are conveniently parametrized as deformed Lorentzian shape lines, functions of an external applied magnetic field and the Fermi energy. We find that the charge current fluctuations show quite unique statistical features at the symplectic-unitary crossover regime. Our findings are based on an evaluation of the generalized transmission coefficients correlation functions within the stub model and are amenable to experimental test.

  18. Functional Network Development During the First Year: Relative Sequence and Socioeconomic Correlations.

    PubMed

    Gao, Wei; Alcauter, Sarael; Elton, Amanda; Hernandez-Castillo, Carlos R; Smith, J Keith; Ramirez, Juanita; Lin, Weili

    2015-09-01

    The first postnatal year is characterized by the most dramatic functional network development of the human lifespan. Yet, the relative sequence of the maturation of different networks and the impact of socioeconomic status (SES) on their development during this critical period remains poorly characterized. Leveraging a large, normally developing infant sample with multiple longitudinal resting-state functional magnetic resonance imaging scans during the first year (N = 65, scanned every 3 months), we aimed to delineate the relative maturation sequence of 9 key brain functional networks and examine their SES correlations. Our results revealed a maturation sequence from primary sensorimotor/auditory to visual to attention/default-mode, and finally to executive control networks. Network-specific critical growth periods were also identified. Finally, marginally significant positive SES-brain correlations were observed at 6 months of age for both the sensorimotor and default-mode networks, indicating interesting SES effects on functional brain maturation. To the best of our knowledge, this is the first study delineating detailed longitudinal growth trajectories of all major functional networks during the first year of life and their SES correlations. Insights from this study not only improve our understanding of early brain development, but may also inform the critical periods for SES expression during infancy.

  19. Cognitive, neurophysiological, and functional correlates of proverb interpretation abnormalities in schizophrenia.

    PubMed

    Kiang, Michael; Light, Gregory A; Prugh, Jocelyn; Coulson, Seana; Braff, David L; Kutas, Marta

    2007-07-01

    A hallmark of schizophrenia is impaired proverb interpretation, which could be due to: (1) aberrant activation of disorganized semantic associations, or (2) working memory (WM) deficits. We assessed 18 schizophrenia patients and 18 normal control participants on proverb interpretation, and evaluated these two hypotheses by examining within patients the correlations of proverb interpretation with disorganized symptoms and auditory WM, respectively. Secondarily, we also explored the relationships between proverb interpretation and a spectrum of cognitive functions including auditory sensory-memory encoding (as indexed by the mismatch negativity (MMN) event-related brain potential (ERP)); executive function; and social/occupational function. As expected, schizophrenia patients produced less accurate and less abstract descriptions of proverbs than did controls. These proverb interpretation difficulties in patients were not significantly correlated with disorganization or other symptom factors, but were significantly correlated (p < .05) with WM impairment, as well as with impairments in sensory-memory encoding, executive function, and social/occupational function. These results offer no support for disorganized associations in abnormal proverb interpretation in schizophrenia, but implicate WM deficits, perhaps as a part of a syndrome related to generalized frontal cortical dysfunction. PMID:17521483

  20. Accurate evaluation of the angular-dependent direct correlation function of water

    NASA Astrophysics Data System (ADS)

    Zhao, Shuangliang; Liu, Honglai; Ramirez, Rosa; Borgis, Daniel

    2013-07-01

    The direct correlation function (DCF) plays a pivotal role in addressing the thermodynamic properties with non-mean-field statistical theories of liquid state. This work provides an accurate yet efficient calculation procedure for evaluating the angular-dependent DCF of bulk SPC/E water. The DCF here represented in a discrete angles basis is computed with two typical steps: the first step involves solving the molecular Ornstein-Zernike equation with the input of total correlation function extracted from simulation; the resultant DCF is then polished in second step at small wavelength for all orientations in order to match correct thermodynamic properties. This function is also discussed in terms of its rotational invariant components. In particular, we show that the component c112(r) that accounts for dipolar symmetry reaches already its long-range asymptotic behavior at a short distance of 4 Å. With the knowledge of DCF, the angular-dependent bridge function of bulk water is thereafter computed and discussed in comparison with referenced hard-sphere bridge functions. We conclude that, even though such hard-sphere bridge functions may be relevant to improve the calculation of Helmholtz free energies in integral equations or density functional theory, they are doomed to fail at a structural level.

  1. Correlation Between Vision and Cognitive Function in the Elderly: A Cross-Sectional Study.

    PubMed

    Spierer, Oriel; Fischer, Naomi; Barak, Adiel; Belkin, Michael

    2016-01-01

    The correlation between vision and cognition is not fully understood. Visual impairment in the elderly has been associated with impaired cognitive function, dementia, and Alzheimer disease. The aim was to study the correlation between near visual acuity (VA), refraction, and cognitive state in an elderly population.Subjects ≥75 years were enrolled in this cross-sectional study. Refraction and near VA was tested. Cognitive function was evaluated with a version of the mini-mental state examination for the visually impaired (MMSE-blind). The eye with better VA and no cataract or refractive surgery was analyzed.One-hundred ninety subjects (81.6 ± 5.1 years, 69.5% female) were included. Good VA (≤J3) was associated with high MMSE-blind (>17) (OR = 3.18, 95% CI = 1.57-6.43, P = 0.001). This remained significant adjusting for sex, age, and years of education. Wearing reading glasses correlated significantly with high MMSE-blind after adjustment for sex and age (OR = 2.14, 95% CI = 1.16-3.97, P = 0.016), but reached borderline significance after adjustment for education. There was a trend toward correlation between myopia and better MMSE-blind (r = -0.123, P = 0.09, Pearson correlation).Good VA and wearing glasses seem to correlate with better cognitive function. Reading glasses can serve as a protective factor against cognitive deterioration associated with sensory (visual) deprivation in old age. The association between myopia and cognition requires further investigation.

  2. Serum Paraoxonase Levels are Correlated with Impaired Aortic Functions in Patients with Chronic Kidney Disease

    PubMed Central

    Efe, Tolga H; Ertem, Ahmet G; Altunoglu, Alpaslan; Koseoglu, Cemal; Erayman, Ali; Bilgin, Murat; Kurmuş, Özge; Aslan, Turgay; Bilge, Mehmet

    2016-01-01

    Background The correlation between aortic functions and paraoxonase levels has been previously demonstrated by several earlier studies. In this study, we aimed to investigate the correlation between serum paraoxonase levels and aortic functions among patients with chronic kidney disease. Methods Our study enrolled 46 chronic kidney disease patients and 45 healthy controls. From these patients, serum cholesterol, creatinine, hemoglobin, and paraoxonase-1 levels were analyzed. Results Paraoxonase-1 levels were significantly lower in patients with chronic kidney disease compared to the controls (p < 0.001). Additionally, the extent of aortic stiffness index (%) was significantly higher in chronic kidney disease patients, but aortic strain and aortic distensibility were significantly higher in healthy controls (p < 0.001, p < 0.001, and p < 0.001, respectively). We further found that paraoxonase-1 levels were correlated with aortic stiffness index, aortic strain, and aortic distensibility (p < 0.001, p < 0.001, and p < 0.001, respectively). Conclusions Our study demonstrated that serum paraoxonase-1 levels were significantly correlated with impaired aortic functions. The results of this study highlight the impact of serum paraoxonase-1 activity on atherosclerosis and cardiovascular adverse events. PMID:27122934

  3. Measurements of the two-point correlation function in the ion phase-space

    NASA Astrophysics Data System (ADS)

    Skiff, Fred; Diallo, Ahmed; Uzun, Ilker

    2006-04-01

    We report measurements of the ion two-point correlation function in a magnetized plasma cylinder. Using a single frequency laser and two movable light-collection systems we measure the space, time, and particle velocity dependence of the two-point correlation function on the axis of a weakly- collisional magnetized plasma in a plasma cylinder where the main source of fluctuations is dissipative drift instability. Due to convection of waves out of the plasma volume, the collective fluctuations remain at low amplitude. In addition to the well known drift instability, we observe other collective effects in the two-point correlation that are anomalous. A kinetic component to the fluctuations, which exhibits a particle velocity dependent phase velocity, suggests plasma nonlinearity at low amplitude. Very quiet plasma discharges are made using a customized inductively coupled plasma source that operates continuously at low power (5W). Singly ionized Argon plasmas are produced with Te 2eV and Ti 0.1eV at a density near 10^9: cm-3 . Each particle species exhibits a nearly Maxwellian velocity distribution function and the drift instabilities are at a relative density fluctuation of near 10%. The plasma discharge is stabilized and large data sets are taken to obtain 58 db of dynamic range on the correlation measurement.

  4. Exchange-Correlation Functionals via Local Interpolation along the Adiabatic Connection.

    PubMed

    Vuckovic, Stefan; Irons, Tom J P; Savin, Andreas; Teale, Andrew M; Gori-Giorgi, Paola

    2016-06-14

    The construction of density-functional approximations is explored by modeling the adiabatic connection locally, using energy densities defined in terms of the electrostatic potential of the exchange-correlation hole. These local models are more amenable to the construction of size-consistent approximations than their global counterparts. In this work we use accurate input local ingredients to assess the accuracy of a range of local interpolation models against accurate exchange-correlation energy densities. The importance of the strictly correlated electrons (SCE) functional describing the strong coupling limit is emphasized, enabling the corresponding interpolated functionals to treat strong correlation effects. In addition to exploring the performance of such models numerically for the helium and beryllium isoelectronic series and the dissociation of the hydrogen molecule, an approximate analytic model is presented for the initial slope of the local adiabatic connection. Comparisons are made with approaches based on global models, and prospects for future approximations based on the local adiabatic connection are discussed. PMID:27116427

  5. Exchange–Correlation Functionals via Local Interpolation along the Adiabatic Connection

    PubMed Central

    2016-01-01

    The construction of density-functional approximations is explored by modeling the adiabatic connection locally, using energy densities defined in terms of the electrostatic potential of the exchange–correlation hole. These local models are more amenable to the construction of size-consistent approximations than their global counterparts. In this work we use accurate input local ingredients to assess the accuracy of a range of local interpolation models against accurate exchange–correlation energy densities. The importance of the strictly correlated electrons (SCE) functional describing the strong coupling limit is emphasized, enabling the corresponding interpolated functionals to treat strong correlation effects. In addition to exploring the performance of such models numerically for the helium and beryllium isoelectronic series and the dissociation of the hydrogen molecule, an approximate analytic model is presented for the initial slope of the local adiabatic connection. Comparisons are made with approaches based on global models, and prospects for future approximations based on the local adiabatic connection are discussed. PMID:27116427

  6. The Correlation Function of Galaxy Clusters and Detection of Baryon Acoustic Oscillations

    NASA Astrophysics Data System (ADS)

    Hong, T.; Han, J. L.; Wen, Z. L.; Sun, L.; Zhan, H.

    2012-04-01

    We calculate the correlation function of 13,904 galaxy clusters of z <= 0.4 selected from the cluster catalog of Wen et al. The correlation function can be fitted with a power-law model ξ(r) = (r/R 0)-γ on the scales of 10 h -1 Mpc <= r <= 50 h -1 Mpc, with a larger correlation length of R 0 = 18.84 ± 0.27 h -1 Mpc for clusters with a richness of R >= 15 and a smaller length of R 0 = 16.15 ± 0.13 h -1 Mpc for clusters with a richness of R >= 5. The power-law index of γ = 2.1 is found to be almost the same for all cluster subsamples. A pronounced baryon acoustic oscillations (BAO) peak is detected at r ~ 110 h -1 Mpc with a significance of ~1.9σ. By analyzing the correlation function in the range of 20 h -1 Mpc <= r <= 200 h -1 Mpc, we find that the constraints on distance parameters are Dv (zm = 0.276) = 1077 ± 55(1σ) Mpc and h = 0.73 ± 0.039(1σ), which are consistent with the cosmology derived from Wilkinson Microwave Anisotropy Probe (WMAP) seven-year data. However, the BAO signal from the cluster sample is stronger than expected and leads to a rather low matter density Ω m h 2 = 0.093 ± 0.0077(1σ), which deviates from the WMAP7 result by more than 3σ. The correlation function of the GMBCG cluster sample is also calculated and our detection of the BAO feature is confirmed.

  7. THE CORRELATION FUNCTION OF GALAXY CLUSTERS AND DETECTION OF BARYON ACOUSTIC OSCILLATIONS

    SciTech Connect

    Hong, T.; Han, J. L.; Wen, Z. L.; Sun, L.; Zhan, H.

    2012-04-10

    We calculate the correlation function of 13,904 galaxy clusters of z {<=} 0.4 selected from the cluster catalog of Wen et al. The correlation function can be fitted with a power-law model {xi}(r) = (r/R{sub 0}){sup -{gamma}} on the scales of 10 h{sup -1} Mpc {<=} r {<=} 50 h{sup -1} Mpc, with a larger correlation length of R{sub 0} = 18.84 {+-} 0.27 h{sup -1} Mpc for clusters with a richness of R {>=} 15 and a smaller length of R{sub 0} = 16.15 {+-} 0.13 h{sup -1} Mpc for clusters with a richness of R {>=} 5. The power-law index of {gamma} = 2.1 is found to be almost the same for all cluster subsamples. A pronounced baryon acoustic oscillations (BAO) peak is detected at r {approx} 110 h{sup -1} Mpc with a significance of {approx}1.9{sigma}. By analyzing the correlation function in the range of 20 h{sup -1} Mpc {<=} r {<=} 200 h{sup -1} Mpc, we find that the constraints on distance parameters are D{sub v} (z{sub m} = 0.276) = 1077 {+-} 55(1{sigma}) Mpc and h = 0.73 {+-} 0.039(1{sigma}), which are consistent with the cosmology derived from Wilkinson Microwave Anisotropy Probe (WMAP) seven-year data. However, the BAO signal from the cluster sample is stronger than expected and leads to a rather low matter density {Omega}{sub m} h{sup 2} = 0.093 {+-} 0.0077(1{sigma}), which deviates from the WMAP7 result by more than 3{sigma}. The correlation function of the GMBCG cluster sample is also calculated and our detection of the BAO feature is confirmed.

  8. Pair correlation functions of FeAs-based superconductors: Quantum Monte Carlo study

    NASA Astrophysics Data System (ADS)

    Kashurnikov, V. A.; Krasavin, A. V.

    2015-01-01

    The new generalized quantum continuous time world line Monte Carlo algorithm was developed to calculate pair correlation functions for two-dimensional FeAs-clusters modeling of iron-based superconductors within the framework of the two-orbital model. The analysis of pair correlations depending on the cluster size, temperature, interaction, and the type of symmetry of the order parameter is carried out. The data obtained for clusters with sizes up to 1 0x1 0 FeAs-cells favor the possibility of an effective charge carrier's attraction that is corresponding the A1g-symmetry, at some parameters of interaction.

  9. Detection of rheumatoid arthritis by evaluation of normalized variances of fluorescence time correlation functions

    NASA Astrophysics Data System (ADS)

    Dziekan, Thomas; Weissbach, Carmen; Voigt, Jan; Ebert, Bernd; MacDonald, Rainer; Bahner, Malte L.; Mahler, Marianne; Schirner, Michael; Berliner, Michael; Berliner, Birgitt; Osel, Jens; Osel, Ilka

    2011-07-01

    Fluorescence imaging using the dye indocyanine green as a contrast agent was investigated in a prospective clinical study for the detection of rheumatoid arthritis. Normalized variances of correlated time series of fluorescence intensities describing the bolus kinetics of the contrast agent in certain regions of interest were analyzed to differentiate healthy from inflamed finger joints. These values are determined using a robust, parameter-free algorithm. We found that the normalized variance of correlation functions improves the differentiation between healthy joints of volunteers and joints with rheumatoid arthritis of patients by about 10% compared to, e.g., ratios of areas under the curves of raw data.

  10. Determination of correlation function of scattering potential of quasi-homogeneous medium by Young's pinhole configuration

    NASA Astrophysics Data System (ADS)

    Li, Jia; Wu, Pinghui; Chang, Liping

    2016-08-01

    An approach is presented to determine the correlation function of the scattering potential of a quasi-homogeneous (QH) medium, whereby Young's pinholes are employed to block a monochromatic plane wave before scattering upon the medium. Given the following quantities: (i) the spectral density of the incident field; (ii) the on-axis spectral density of the scattered field if one pinhole is blocked; and (iii) the on-axis spectral density if no pinhole is blocked, the approach can be applied to obtain both the strength and the normalized correlation coefficient (NCC) of the scattering potential. Numerical results are displayed to verify the validity of the introduced approach.

  11. Exact asymptotic behavior of correlation functions for disordered spin-1/2 XXZ chains

    NASA Astrophysics Data System (ADS)

    Ristivojevic, Zoran; Petković, Aleksandra; Giamarchi, Thierry

    2012-11-01

    We consider an XXZ spin-1/2 chain in the presence of several types of disorder that do not break the XY symmetry of the system. We calculate the complete asymptotic form of the spin-correlation functions at zero temperature at the transition between liquid and disordered phase that occurs for a special value of anisotropy in the limit of small disorder. Apart from a universal power law decay of correlations, we find additional logarithmic corrections due to marginally irrelevant operator of disorder.

  12. Exact treatment of pairing correlations in Yb isotopes with covariant density functional theory

    NASA Astrophysics Data System (ADS)

    Liu, Lang; Zhao, Peng-Wei

    2014-07-01

    The effects of pairing correlation in Yb isotopes are investigated by covariant density functional theory with pairing correlations and blocking effects treated exactly by a shell model like approach (SLAP). Experimental one- and two-neutron separation energies are reproduced quite well. The traditional BCS calculations always give larger pairing energies than those given by SLAP calculations, particularly for the nuclei near the proton and neutron drip lines. This may be caused because many of the single particle orbits above the Fermi surface are involved in the BCS calculations, but many of them are excluded in the SLAP calculations.

  13. Cascaded evolutionary algorithm for nonlinear system identification based on correlation functions and radial basis functions neural networks

    NASA Astrophysics Data System (ADS)

    Ayala, Helon Vicente Hultmann; Coelho, Leandro dos Santos

    2016-02-01

    The present work introduces a procedure for input selection and parameter estimation for system identification based on Radial Basis Functions Neural Networks (RBFNNs) models with an improved objective function based on the residuals and its correlation function coefficients. We show the results when the proposed methodology is applied to model a magnetorheological damper, with real acquired data, and other two well-known benchmarks. The canonical genetic and differential evolution algorithms are used in cascade to decompose the problem of defining the lags taken as the inputs of the model and its related parameters based on the simultaneous minimization of the residuals and higher orders correlation functions. The inner layer of the cascaded approach is composed of a population which represents the lags on the inputs and outputs of the system and an outer layer represents the corresponding parameters of the RBFNN. The approach is able to define both the inputs of the model and its parameters. This is interesting as it frees the designer of manual procedures, which are time consuming and prone to error, usually done to define the model inputs. We compare the proposed methodology with other works found in the literature, showing overall better results for the cascaded approach.

  14. Quantum Monte Carlo benchmark of exchange-correlation functionals for bulk water

    SciTech Connect

    Morales, Miguel A; Gergely, John; McMinis, Jeremy; McMahon, Jeffrey; Kim, Jeongnim; Ceperley, David M.

    2014-01-01

    The accurate description of the thermodynamic and dynamical properties of liquid water from first-principles is a very important challenge to the theoretical community. This represents not only a critical test of the predictive capabilities of first-principles methods, but it will also shed light into the microscopic properties of such an important substance. Density Functional Theory, the main workhorse in the field of first-principles methods, has been so far unable to properly describe water and its unusual properties in the liquid state. With the recent introduction of exact exchange and an improved description of dispersion interaction, the possibility of an accurate description of the liquid is finally within reach. Unfortunately, there is still no way to systematically improve exchange-correlation functionals and the number of available functionals is very large. In this article we use highly accurate quantum Monte Carlo calculations to benchmark a selection of exchange-correlation functionals typically used in Density Functional Theory simulations of bulk water. This allows us to test the predictive capabilities of these functionals in water, giving us a way not only to choose optimal functionals for first-principles simulations, but also giving us a route for the optimization of the functionals for the system at hand. We compare and contrast the importance of different features of functionals, including the hybrid component, the vdW component, and their importance within different aspects of the PES. In addition, we test a recently introduce scheme that combines Density Functional Theory with Coupled Cluster Calculations through a Many-Body expansion of the energy, in order to correct the inaccuracies in the description of short range interactions in the liquid.

  15. Derivative discontinuity and exchange-correlation potential of meta-GGAs in density-functional theory

    SciTech Connect

    Eich, F. G.; Hellgren, Maria

    2014-12-14

    We investigate fundamental properties of meta-generalized-gradient approximations (meta-GGAs) to the exchange-correlation energy functional, which have an implicit density dependence via the Kohn-Sham kinetic-energy density. To this purpose, we construct the most simple meta-GGA by expressing the local exchange-correlation energy per particle as a function of a fictitious density, which is obtained by inverting the Thomas-Fermi kinetic-energy functional. This simple functional considerably improves the total energy of atoms as compared to the standard local density approximation. The corresponding exchange-correlation potentials are then determined exactly through a solution of the optimized effective potential equation. These potentials support an additional bound state and exhibit a derivative discontinuity at integer particle numbers. We further demonstrate that through the kinetic-energy density any meta-GGA incorporates a derivative discontinuity. However, we also find that for commonly used meta-GGAs the discontinuity is largely underestimated and in some cases even negative.

  16. Fragment-based treatment of delocalization and static correlation errors in density-functional theory

    NASA Astrophysics Data System (ADS)

    Nafziger, Jonathan; Wasserman, Adam

    2015-12-01

    One of the most important open challenges in modern Kohn-Sham (KS) density-functional theory (DFT) is the correct treatment of systems involving fractional electron charges and spins. Approximate exchange-correlation functionals struggle with such systems, leading to pervasive delocalization and static correlation errors. We demonstrate how these errors, which plague density-functional calculations of bond-stretching processes, can be avoided by employing the alternative framework of partition density-functional theory (PDFT) even using the local density approximation for the fragments. Our method is illustrated with explicit calculations on simple systems exhibiting delocalization and static-correlation errors, stretched H2+, H2, He2+, Li2+, and Li2. In all these cases, our method leads to greatly improved dissociation-energy curves. The effective KS potential corresponding to our self-consistent solutions displays key features around the bond midpoint; these are known to be present in the exact KS potential, but are absent from most approximate KS potentials and are essential for the correct description of electron dynamics.

  17. Fragment-based treatment of delocalization and static correlation errors in density-functional theory.

    PubMed

    Nafziger, Jonathan; Wasserman, Adam

    2015-12-21

    One of the most important open challenges in modern Kohn-Sham (KS) density-functional theory (DFT) is the correct treatment of systems involving fractional electron charges and spins. Approximate exchange-correlation functionals struggle with such systems, leading to pervasive delocalization and static correlation errors. We demonstrate how these errors, which plague density-functional calculations of bond-stretching processes, can be avoided by employing the alternative framework of partition density-functional theory (PDFT) even using the local density approximation for the fragments. Our method is illustrated with explicit calculations on simple systems exhibiting delocalization and static-correlation errors, stretched H2 (+), H2, He2 (+), Li2 (+), and Li2. In all these cases, our method leads to greatly improved dissociation-energy curves. The effective KS potential corresponding to our self-consistent solutions displays key features around the bond midpoint; these are known to be present in the exact KS potential, but are absent from most approximate KS potentials and are essential for the correct description of electron dynamics. PMID:26696044

  18. Determination of correlation functions of turbulent velocity and sound speed fluctuations by means of ultrasonic technique

    NASA Astrophysics Data System (ADS)

    Andreeva, Tatiana A.; Durgin, William W.

    2011-12-01

    An experimental study of the propagation of high-frequency acoustic waves through grid-generated turbulence by means of an ultrasound technique is discussed. Experimental data were obtained for ultrasonic wave propagation downstream of heated and non-heated grids in a wind tunnel. A semi-analytical acoustic propagation model that allows the determination of the spatial correlation functions of the flow field is developed based on the classical flowmeter equation and the statistics of the travel time of acoustic waves traveling through the kinematic and thermal turbulence. The basic flowmeter equation is reconsidered in order to take into account sound speed fluctuations and turbulent velocity fluctuations. It allows deriving an integral equation that relates the correlation functions of travel time, sound speed fluctuations and turbulent velocity fluctuations. Experimentally measured travel time statistics of data with and without grid heating are approximated by an exponential function and used to analytically solve the integral equation. The reconstructed correlation functions of the turbulent velocity and sound speed fluctuations are presented. The power spectral density of the turbulent velocity and sound speed fluctuations are calculated.

  19. Cerebral and blood correlates of reduced functional connectivity in mild cognitive impairment.

    PubMed

    Gonzalez-Escamilla, Gabriel; Atienza, Mercedes; Garcia-Solis, David; Cantero, Jose L

    2016-01-01

    Growing evidence suggests that decreased functional connectivity in cortical networks precedes clinical stages of Alzheimer's disease (AD), although our knowledge about cerebral and biological correlates of this phenomenon is limited. To shed light on this issue, we have investigated whether resting-state oscillatory connectivity patterns in healthy older (HO) and amnestic mild cognitive impairment (aMCI) subjects are related to anatomical grey matter (GM) and functional (2-[18F]fluoro-2-deoxy-D-glucose (FDG)-PET) changes of neuroelectric sources of alpha rhythms, and/or to changes in plasma amyloid-beta (Aβ) and serum lipid levels, blood markers tied to AD pathogenesis and aging-related cognitive decline. We found that aMCI subjects showed decreased levels of cortical connectivity, reduced FDG-PET intake of the precuneus, and GM atrophy of the thalamus, together with higher levels of Aβ and apolipoprotein B (ApoB) compared to HO. Interestingly, levels of high-density lipoprotein (HDL) cholesterol were positively correlated with the strength of neural-phase coupling in aMCI subjects, and increased triglycerides accompanied bilateral GM loss in the precuneus of aMCI subjects. Together, these findings provide peripheral blood correlates of reduced resting-state cortical connectivity in aMCI, supported by anatomo-functional changes in cerebral sources of alpha rhythms. This framework constitutes an integrated approach to assess functional changes in cortical networks through neuroimaging and peripheral blood markers during early stages of neurodegeneration.

  20. Two-point correlation functions to characterize microgeometry and estimate permeabilities of synthetic and natural sandstones

    SciTech Connect

    Blair, S.C.; Berge, P.A.; Berryman, J.G.

    1993-08-01

    We have developed an image-processing method for characterizing the microstructure of rock and other porous materials, and for providing a quantitative means for understanding the dependence of physical properties on the pore structure. This method is based upon the statistical properties of the microgeometry as observed in scanning electron micrograph (SEM) images of cross sections of porous materials. The method utilizes a simple statistical function, called the spatial correlation function, which can be used to predict bounds on permeability and other physical properties. We obtain estimates of the porosity and specific surface area of the material from the two-point correlation function. The specific surface area can be related to the permeability of porous materials using a Kozeny-Carman relation, and we show that the specific surface area measured on images of sandstones is consistent with the specific surface area used in a simple flow model for computation of permeability. In this paper, we discuss the two-point spatial correlation function and its use in characterizing microstructure features such as pore and grain sizes. We present estimates of permeabilities found using SEM images of several different synthetic and natural sandstones. Comparison of the estimates to laboratory measurements shows good agreement. Finally, we briefly discuss extension of this technique to two-phase flow.

  1. Fragment-based treatment of delocalization and static correlation errors in density-functional theory.

    PubMed

    Nafziger, Jonathan; Wasserman, Adam

    2015-12-21

    One of the most important open challenges in modern Kohn-Sham (KS) density-functional theory (DFT) is the correct treatment of systems involving fractional electron charges and spins. Approximate exchange-correlation functionals struggle with such systems, leading to pervasive delocalization and static correlation errors. We demonstrate how these errors, which plague density-functional calculations of bond-stretching processes, can be avoided by employing the alternative framework of partition density-functional theory (PDFT) even using the local density approximation for the fragments. Our method is illustrated with explicit calculations on simple systems exhibiting delocalization and static-correlation errors, stretched H2 (+), H2, He2 (+), Li2 (+), and Li2. In all these cases, our method leads to greatly improved dissociation-energy curves. The effective KS potential corresponding to our self-consistent solutions displays key features around the bond midpoint; these are known to be present in the exact KS potential, but are absent from most approximate KS potentials and are essential for the correct description of electron dynamics.

  2. Exchange-Correlation Effects for Noncovalent Interactions in Density Functional Theory.

    PubMed

    Otero-de-la-Roza, A; DiLabio, Gino A; Johnson, Erin R

    2016-07-12

    In this article, we develop an understanding of how errors from exchange-correlation functionals affect the modeling of noncovalent interactions in dispersion-corrected density-functional theory. Computed CCSD(T) reference binding energies for a collection of small-molecule clusters are decomposed via a molecular many-body expansion and are used to benchmark density-functional approximations, including the effect of semilocal approximation, exact-exchange admixture, and range separation. Three sources of error are identified. Repulsion error arises from the choice of semilocal functional approximation. This error affects intermolecular repulsions and is present in all n-body exchange-repulsion energies with a sign that alternates with the order n of the interaction. Delocalization error is independent of the choice of semilocal functional but does depend on the exact exchange fraction. Delocalization error misrepresents the induction energies, leading to overbinding in all induction n-body terms, and underestimates the electrostatic contribution to the 2-body energies. Deformation error affects only monomer relaxation (deformation) energies and behaves similarly to bond-dissociation energy errors. Delocalization and deformation errors affect systems with significant intermolecular orbital interactions (e.g., hydrogen- and halogen-bonded systems), whereas repulsion error is ubiquitous. Many-body errors from the underlying exchange-correlation functional greatly exceed in general the magnitude of the many-body dispersion energy term. A functional built to accurately model noncovalent interactions must contain a dispersion correction, semilocal exchange, and correlation components that minimize the repulsion error independently and must also incorporate exact exchange in such a way that delocalization error is absent. PMID:27243962

  3. Exchange-Correlation Effects for Noncovalent Interactions in Density Functional Theory.

    PubMed

    Otero-de-la-Roza, A; DiLabio, Gino A; Johnson, Erin R

    2016-07-12

    In this article, we develop an understanding of how errors from exchange-correlation functionals affect the modeling of noncovalent interactions in dispersion-corrected density-functional theory. Computed CCSD(T) reference binding energies for a collection of small-molecule clusters are decomposed via a molecular many-body expansion and are used to benchmark density-functional approximations, including the effect of semilocal approximation, exact-exchange admixture, and range separation. Three sources of error are identified. Repulsion error arises from the choice of semilocal functional approximation. This error affects intermolecular repulsions and is present in all n-body exchange-repulsion energies with a sign that alternates with the order n of the interaction. Delocalization error is independent of the choice of semilocal functional but does depend on the exact exchange fraction. Delocalization error misrepresents the induction energies, leading to overbinding in all induction n-body terms, and underestimates the electrostatic contribution to the 2-body energies. Deformation error affects only monomer relaxation (deformation) energies and behaves similarly to bond-dissociation energy errors. Delocalization and deformation errors affect systems with significant intermolecular orbital interactions (e.g., hydrogen- and halogen-bonded systems), whereas repulsion error is ubiquitous. Many-body errors from the underlying exchange-correlation functional greatly exceed in general the magnitude of the many-body dispersion energy term. A functional built to accurately model noncovalent interactions must contain a dispersion correction, semilocal exchange, and correlation components that minimize the repulsion error independently and must also incorporate exact exchange in such a way that delocalization error is absent.

  4. Genetic variation in caveolin-1 correlates with long-term pancreas transplant function.

    PubMed

    Hamilton, A; Mittal, S; Barnardo, M C N M; Fuggle, S V; Friend, P; Gough, S C L; Simmonds, M J

    2015-05-01

    Pancreas transplantation is a successful treatment for a selected group of people with type 1 diabetes. Continued insulin production can decrease over time and identifying predictors of long-term graft function is key to improving survival. The aim of this study was to screen subjects for variation in the Caveolin-1 gene (Cav1), previously shown to correlate with long-term kidney transplant function. We genotyped 435 pancreas transplant donors and 431 recipients who had undergone pancreas transplantation at the Oxford Transplant Centre, UK, for all known common variation in Cav1. Death-censored cumulative events were analyzed using Kaplan-Meier and Cox regression. Unlike kidney transplantation, the rs4730751 variant in our pancreas donors or transplant recipients did not correlate with long-term graft function (p = 0.331-0.905). Presence of rs3801995 TT genotype (p = 0.009) and rs9920 CC/CT genotype (p = 0.010) in our donors did however correlate with reduced long-term graft survival. Multivariate Cox regression (adjusted for donor and recipient transplant factors) confirmed the association of rs3801995 (p = 0.009, HR = 1.83;[95% CI = 1.16-2.89]) and rs9920 (p = 0.037, HR = 1.63; [95% CI = 1.03-2.73]) with long-term graft function. This is the first study to provide evidence that donor Cav1 genotype correlates with long-term pancreas graft function. Screening Cav1 in other datasets is required to confirm these pilot results.

  5. Correlation between head posture and proprioceptive function in the cervical region

    PubMed Central

    Yong, Min-Sik; Lee, Hae-Yong; Lee, Mi-Young

    2016-01-01

    [Purpose] The aim of the present study was to investigate correlation between head posture and proprioceptive function in the cervical region. [Subjects and Methods] Seventy-two subjects (35 males and 37 females) participated in this study. For measurement of head posture, the craniovertebral angle was calculated based on the angle between a horizontal line passing through C7 and a line extending from the tragus of the ear to C7. The joint position sense was evaluated using a dual digital inclinometer (Acumar, Lafayette Instrument, Lafayette, IN, USA), which was used to measure the joint position error for cervical flexion and extension. [Results] A significant negative correlation was observed between the craniovertebral angle and position sense error for flexion and extension. [Conclusion] Forward head posture is correlated with greater repositioning error than a more upright posture, and further research is needed to determine whether correction of forward head posture has any impact on repositioning error. PMID:27134372

  6. Hierarchy of correlations: Application to Green's functions and interacting topological phases

    NASA Astrophysics Data System (ADS)

    Gómez-León, Álvaro

    2016-07-01

    We study the many-body physics of different quantum systems using a hierarchy of correlations, which corresponds to a generalization of the 1 /Z hierarchy. The decoupling scheme obtained from this hierarchy is adapted to calculate double-time Green's functions and due to its nonperturbative nature, we describe quantum phase transition and topological features characteristic of strongly correlated phases. As concrete examples we consider spinless fermions in a dimerized chain and in a honeycomb lattice. We present analytical results which are valid for any dimension and can be generalized to different types of interactions (e.g., long-range interactions), which allows us to shed light on the effect of quantum correlations in a very systematic way. Furthermore, we show that this approach provides an efficient framework for the calculation of topological invariants in interacting systems.

  7. Dispersion, static correlation, and delocalisation errors in density functional theory: an electrostatic theorem perspective.

    PubMed

    Dwyer, Austin D; Tozer, David J

    2011-10-28

    Dispersion, static correlation, and delocalisation errors in density functional theory are considered from the unconventional perspective of the force on a nucleus in a stretched diatomic molecule. The electrostatic theorem of Feynman is used to relate errors in the forces to errors in the electron density distortions, which in turn are related to erroneous terms in the Kohn-Sham equations. For H(2), the exact dispersion force arises from a subtle density distortion; the static correlation error leads to an overestimated force due to an exaggerated distortion. For H(2)(+), the exact force arises from a delicate balance between attractive and repulsive components; the delocalisation error leads to an underestimated force due to an underestimated distortion. The net force in H(2)(+) can become repulsive, giving the characteristic barrier in the potential energy curve. Increasing the fraction of long-range exact orbital exchange increases the distortion, reducing delocalisation error but increasing static correlation error.

  8. Using the Balance Function to study the charge correlations of hadrons

    SciTech Connect

    Christakoglou, P.; Petridis, A.; Vassiliou, M.

    2007-02-27

    We present the recent Balance Function (BF) results obtained by the NA49 collaboration for the pseudo-rapidity dependence of non-identified charged particle correlations for two SPS energies. Experimental results indicate a clear centrality dependence only in the mid-rapidity region. The results of an energy dependence study of the BF throughout the whole SPS energy range will also be discussed. In addition, the correlation of identified hadrons is studied and presented for the first time. The study of hadron correlation has also been extended in order to cope with the high multiplicity environment that is expected to be seen at LHC. We will present the latest results from simulations concerning the extension of these studies to the ALICE experiment.

  9. Dependence of Structural and Electronic Properties of Uranium Monochalcogenides on Exchange--Correlation Energy Functionals

    NASA Astrophysics Data System (ADS)

    Suzuki, Shugo; Ohta, Hidehisa; Komatsu, Takumi; Yasuda, Sho

    2011-08-01

    We study the dependence of the structural properties of uranium monochalcogenides, UX where X = S, Se, and Te, as well as their electronic ones on the exchange--correlation energy functionals within the spin density functional theory, carrying out all electron calculations by the fully relativistic full-potential linear-combination-of-atomic-orbitals method. We employ two functionals of the local spin density approximation (LSDA) and two functionals of the generalized gradient approximations (GGA); the former two are the Perdew--Zunger and Perdew--Wang functionals and the latter two are the Perdew--Burke--Ernzerhof (PBE) and PBEsol functionals. We also examine the effects of the relativistic correction to the LSDA exchange part of each functional. We find that, for lattice constants, bulk moduli, and cohesive energies, the results of the calculations using the PBE functional are in the best agreement with the experimental results. On the contrary, we find that calculated total magnetic moments and one-electron energies are almost the same for all the LSDA and GGA functionals employed in this work, failing to improve the agreement between the calculated and experimental results even if the gradient and relativistic corrections are included. We also find that the relativistic correction plays minor roles in both the structural and electronic properties.

  10. Density-Functional Theory Studies of Correlation Energy Effects at Metallic Surfaces.

    NASA Astrophysics Data System (ADS)

    Mohammed, Abdel-Raouf Eid

    In this thesis we study the effects of correlation in the inhomogeneous electron gas at metallic surfaces. These studies are performed within the context of density-functional theory (DFT). Using accurate representations of the electronic density profile, we have estimated variationally the surface correlation energy of jellium metal. The accuracy of these estimates is founded in the assumption that the exchange -correlation energy functional of the density is approximated accurately by the wave-vector analysis method, and by the fact that the non-local exchange energy contributions are treated exactly. In contrast to the previously accepted conclusion that for surfaces correlation effects are as significant as exchange, our results indicate the ratio of these energies to lie between 34% - 97% over the metallic density range, the smaller ratios corresponding to the higher density metals. In this work we have also examined the local density (LDA) and gradient expansion approximations (GEA) (to O((DEL)('2))) for the correlation energy. We have demonstrated for realistic metal surface densities the cancellation of the errors in the LDA for exchange and correlation, and shown that the density profiles at surfaces would have to be unphysically slowly varying for the correlation energy GEA to converge. We have also studied the effects of correlation at surfaces by screening the exchange, and observe that the surface exchange energy for screened-Coulomb interaction decreases as the screening length is reduced. Thus, the more short-ranged the interaction, the easier it is to split the crystal in two. In addition we have derived the DFT first gradient correction coefficient in the GEA for the screened-Coulomb exchange energy, and shown it to be the same as that obtained within Hartree -Fock theory (HFT) for finite screening. This coefficient reduces to the DFT bare-Coulomb interaction value in the limit of no screening in which limit the HFT coefficient is singular. The GEA

  11. Modeling Fractal Structure of City-Size Distributions Using Correlation Functions

    PubMed Central

    Chen, Yanguang

    2011-01-01

    Zipf's law is one the most conspicuous empirical facts for cities, however, there is no convincing explanation for the scaling relation between rank and size and its scaling exponent. Using the idea from general fractals and scaling, I propose a dual competition hypothesis of city development to explain the value intervals and the special value, 1, of the power exponent. Zipf's law and Pareto's law can be mathematically transformed into one another, but represent different processes of urban evolution, respectively. Based on the Pareto distribution, a frequency correlation function can be constructed. By scaling analysis and multifractals spectrum, the parameter interval of Pareto exponent is derived as (0.5, 1]; Based on the Zipf distribution, a size correlation function can be built, and it is opposite to the first one. By the second correlation function and multifractals notion, the Pareto exponent interval is derived as [1, 2). Thus the process of urban evolution falls into two effects: one is the Pareto effect indicating city number increase (external complexity), and the other the Zipf effect indicating city size growth (internal complexity). Because of struggle of the two effects, the scaling exponent varies from 0.5 to 2; but if the two effects reach equilibrium with each other, the scaling exponent approaches 1. A series of mathematical experiments on hierarchical correlation are employed to verify the models and a conclusion can be drawn that if cities in a given region follow Zipf's law, the frequency and size correlations will follow the scaling law. This theory can be generalized to interpret the inverse power-law distributions in various fields of physical and social sciences. PMID:21949753

  12. Elucidating dimensions of posttraumatic stress symptoms and their functional correlates in disaster-exposed adolescents.

    PubMed

    Sumner, Jennifer A; Pietrzak, Robert H; Danielson, Carla Kmett; Adams, Zachary W; Ruggiero, Kenneth J

    2014-12-01

    The aim of this study was to elucidate the dimensional structure of posttraumatic stress disorder (PTSD) and potential moderators and functional correlates of this structure in disaster-affected adolescents. A population-based sample of 2000 adolescents aged 12-17 years (M = 14.5 years; 51% female) completed interviews on post-tornado PTSD symptoms, substance use, and parent-adolescent conflict between 4 and 13 months (M = 8.8, SD = 2.6) after tornado exposure. Confirmatory factor analyses revealed that all models fit well but a 5-factor dysphoric arousal model provided a statistically significantly better representation of adolescent PTSD symptoms compared to 4-factor dysphoria and emotional numbing models. There was evidence of measurement invariance of the dysphoric arousal model across gender and age, although girls and older adolescents aged 15-17 years had higher mean scores than boys and younger adolescents aged 12-14 years, respectively, on some PTSD dimensions. Differential magnitudes of association between PTSD symptom dimensions and functional correlates were observed, with emotional numbing symptoms most strongly positively associated with problematic substance use since the tornado, and dysphoric arousal symptoms most strongly positively associated with parent-adolescent conflict; both correlations were significantly larger than the corresponding correlations with anxious arousal. Taken together, these results suggest that the dimensional structure of tornado-related PTSD symptomatology in adolescents is optimally characterized by five separate clusters of re-experiencing, avoidance, numbing, dysphoric arousal, and anxious arousal symptoms, which showed unique associations with functional correlates. Findings emphasize that PTSD in disaster-exposed adolescents is not best conceptualized as a homogenous construct and highlight potential differential targets for post-disaster assessment and intervention.

  13. Elucidating Dimensions of Posttraumatic Stress Symptoms and their Functional Correlates in Disaster-Exposed Adolescents

    PubMed Central

    Sumner, Jennifer A.; Pietrzak, Robert H.; Danielson, Carla Kmett; Adams, Zachary W.; Ruggiero, Kenneth J.

    2014-01-01

    The aim of this study was to elucidate the dimensional structure of posttraumatic stress disorder (PTSD) and potential moderators and functional correlates of this structure in disaster-affected adolescents. A population-based sample of 2,000 adolescents aged 12–17 years (M=14.5 years; 51% female) completed interviews on post-tornado PTSD symptoms, substance use, and parent-adolescent conflict between 4 and 13 months (M=8.8, SD=2.6) after tornado exposure. Confirmatory factor analyses revealed that all models fit well but a 5-factor dysphoric arousal model provided a statistically significantly better representation of adolescent PTSD symptoms compared to 4-factor dysphoria and emotional numbing models. There was evidence of measurement invariance of the dysphoric arousal model across gender and age, although girls and older adolescents aged 15–17 years had higher mean scores than boys and younger adolescents aged 12–14 years, respectively, on some PTSD dimensions. Differential magnitudes of association between PTSD symptom dimensions and functional correlates were observed, with emotional numbing symptoms most strongly positively associated with problematic substance use since the tornado, and dysphoric arousal symptoms most strongly positively associated with parent-adolescent conflict; both correlations were significantly larger than the corresponding correlations with anxious arousal. Taken together, these results suggest that the dimensional structure of tornado-related PTSD symptomatology in adolescents is optimally characterized by five separate clusters of re-experiencing, avoidance, numbing, dysphoric arousal, and anxious arousal symptoms, which showed unique associations with functional correlates. Findings emphasize that PTSD in disaster-exposed adolescents is not best conceptualized as a homogeneous construct and highlight potential differential targets for post-disaster assessment and intervention. PMID:25248557

  14. Elucidating dimensions of posttraumatic stress symptoms and their functional correlates in disaster-exposed adolescents.

    PubMed

    Sumner, Jennifer A; Pietrzak, Robert H; Danielson, Carla Kmett; Adams, Zachary W; Ruggiero, Kenneth J

    2014-12-01

    The aim of this study was to elucidate the dimensional structure of posttraumatic stress disorder (PTSD) and potential moderators and functional correlates of this structure in disaster-affected adolescents. A population-based sample of 2000 adolescents aged 12-17 years (M = 14.5 years; 51% female) completed interviews on post-tornado PTSD symptoms, substance use, and parent-adolescent conflict between 4 and 13 months (M = 8.8, SD = 2.6) after tornado exposure. Confirmatory factor analyses revealed that all models fit well but a 5-factor dysphoric arousal model provided a statistically significantly better representation of adolescent PTSD symptoms compared to 4-factor dysphoria and emotional numbing models. There was evidence of measurement invariance of the dysphoric arousal model across gender and age, although girls and older adolescents aged 15-17 years had higher mean scores than boys and younger adolescents aged 12-14 years, respectively, on some PTSD dimensions. Differential magnitudes of association between PTSD symptom dimensions and functional correlates were observed, with emotional numbing symptoms most strongly positively associated with problematic substance use since the tornado, and dysphoric arousal symptoms most strongly positively associated with parent-adolescent conflict; both correlations were significantly larger than the corresponding correlations with anxious arousal. Taken together, these results suggest that the dimensional structure of tornado-related PTSD symptomatology in adolescents is optimally characterized by five separate clusters of re-experiencing, avoidance, numbing, dysphoric arousal, and anxious arousal symptoms, which showed unique associations with functional correlates. Findings emphasize that PTSD in disaster-exposed adolescents is not best conceptualized as a homogenous construct and highlight potential differential targets for post-disaster assessment and intervention. PMID:25248557

  15. Investigating relationships between rainfall and karst-spring discharge by higher-order partial correlation functions

    NASA Astrophysics Data System (ADS)

    Jukić, Damir; Denić-Jukić, Vesna

    2015-11-01

    Time series of rainfall and karst-spring discharge are influenced by various space-time-variant processes involved in the transfer of water in hydrological cycle. The effects of these processes can be exhibited in auto-correlation and cross-correlation functions. Consequently, ambiguities with respect to the effects encoded in the correlation functions exist. To solve this problem, a new statistical method for investigating relationships between rainfall and karst-spring discharge is proposed. The method is based on the determination and analysis of higher-order partial correlation functions and their spectral representations. The study area is the catchment of the Jadro Spring in Croatia. The analyzed daily time series are the air temperature, relative humidity, spring discharge, and rainfall at seven rain-gauges over a period of 19 years, from 1995 to 2013. The application results show that the effects of spatial and temporal variations of hydrological time series and the space-time-variant behaviours of the karst system can be separated from the correlation functions. Specifically, the effect of evapotranspiration can be separated to obtain the forms of correlation functions that represent the hydrogeological characteristics of the karst system. Using the proposed method, it is also possible to separate the effects of the process of groundwater recharge that occurs in neighbouring parts of a catchment to identify the specific contribution of each part of the catchment to the karst-spring discharge. The main quantitative results obtained for the Jadro Spring show that the quick-flow duration is 14 days, the intermediate-flow duration is 80 days, and the pure base flow starts after 80 days. The base flow consists of an inter-catchment groundwater flow. The system memory of the spring is 80 days. The presented results indicate the far-reaching applicability of the proposed method in the analyses of relationships between rainfall and karst-spring discharge; e

  16. Calculations of properties of screened He-like systems using correlated wave functions.

    PubMed

    Dai, S T; Solovyova, A; Winkler, P

    2001-07-01

    The purpose of the present study is twofold. First, the techniques of correlated wave functions for two-electron systems have been extended to obtain results for P and D states in a screening environment, and in particular for Debye screening. In these calculations, the satisfaction of both the quantum virial theorem and a related sum rule has been enforced and found to provide a high degree of stability of the solutions. Second, in order to facilitate the general use of correlated wave functions in combination with sum rule stability criteria, a rather systematic computational approach to this notoriously cumbersome method has been developed and thoroughly discussed here. Accurate calculations for few-electron systems are of interest to plasma diagnostics; in particular, when inaccuracies in binding energies are drastically magnified as they occur in exponents of Boltzmann factors.

  17. Influence of the local-spin-density correlation functional on the stability of bcc ferromagnetic iron

    NASA Astrophysics Data System (ADS)

    Singh, D.; Clougherty, D. P.; MacLaren, J. M.; Albers, R. C.; Wang, C. S.

    1991-10-01

    The influence of local-spin-dependent correlation effects on the predicted stable ground-state phase of iron is reexamined with use of general-potential linearized augmented-plane-wave calculations. Differences in the form of the Vosko-Wilk-Nusair (VWN) local-spin-density functional used in previous studies are noted, since in previous studies significant additional approximations were made with respect to those of Vosko, Wilk, and Nusan [Can. J. Phys. 58, 1200 (1980)] and of MacLaren, Clougherty, and Albers [Phys. Rev. B 42, 3205 (1990)]. While the results of previous linear muffin-tin orbital calculations using the VWN functional predict a bcc ferromagnetic ground state, the present calculations show that the VWN spin-correlation effects fail to stabilize a bcc ground state. Considerable sensitivity to the form of the spin interpolation is found.

  18. Three-body correlation functions and recombination rates for bosons in three dimensions and one dimension.

    PubMed

    Haller, E; Rabie, M; Mark, M J; Danzl, J G; Hart, R; Lauber, K; Pupillo, G; Nägerl, H-C

    2011-12-01

    We investigate local three-body correlations for bosonic particles in three dimensions and one dimension as a function of the interaction strength. The three-body correlation function g(3) is determined by measuring the three-body recombination rate in an ultracold gas of Cs atoms. In three dimensions, we measure the dependence of g(3) on the gas parameter in a BEC, finding good agreement with the theoretical prediction accounting for beyond-mean-field effects. In one dimension, we observe a reduction of g(3) by several orders of magnitude upon increasing interactions from the weakly interacting BEC to the strongly interacting Tonks-Girardeau regime, in good agreement with predictions from the Lieb-Liniger model for all strengths of interaction. PMID:22182071

  19. Large-scale 3D galaxy correlation function and non-Gaussianity

    SciTech Connect

    Raccanelli, Alvise; Doré, Olivier; Bertacca, Daniele; Maartens, Roy E-mail: daniele.bertacca@gmail.com E-mail: roy.maartens@gmail.com

    2014-08-01

    We investigate the properties of the 2-point galaxy correlation function at very large scales, including all geometric and local relativistic effects --- wide-angle effects, redshift space distortions, Doppler terms and Sachs-Wolfe type terms in the gravitational potentials. The general three-dimensional correlation function has a nonzero dipole and octupole, in addition to the even multipoles of the flat-sky limit. We study how corrections due to primordial non-Gaussianity and General Relativity affect the multipolar expansion, and we show that they are of similar magnitude (when f{sub NL} is small), so that a relativistic approach is needed. Furthermore, we look at how large-scale corrections depend on the model for the growth rate in the context of modified gravity, and we discuss how a modified growth can affect the non-Gaussian signal in the multipoles.

  20. Calculations of properties of screened He-like systems using correlated wave functions.

    PubMed

    Dai, S T; Solovyova, A; Winkler, P

    2001-07-01

    The purpose of the present study is twofold. First, the techniques of correlated wave functions for two-electron systems have been extended to obtain results for P and D states in a screening environment, and in particular for Debye screening. In these calculations, the satisfaction of both the quantum virial theorem and a related sum rule has been enforced and found to provide a high degree of stability of the solutions. Second, in order to facilitate the general use of correlated wave functions in combination with sum rule stability criteria, a rather systematic computational approach to this notoriously cumbersome method has been developed and thoroughly discussed here. Accurate calculations for few-electron systems are of interest to plasma diagnostics; in particular, when inaccuracies in binding energies are drastically magnified as they occur in exponents of Boltzmann factors. PMID:11461411

  1. Extension of the Nakajima-Zwanzig approach to multitime correlation functions of open systems

    NASA Astrophysics Data System (ADS)

    Ivanov, Anton; Breuer, Heinz-Peter

    2015-09-01

    We extend the Nakajima-Zwanzig projection operator technique to the determination of multitime correlation functions of open quantum systems. The correlation functions are expressed in terms of certain multitime homogeneous and inhomogeneous memory kernels for which suitable equations of motion are derived. We show that under the condition of finite memory times, these equations can be used to determine the memory kernels by employing an exact stochastic unraveling of the full system-environment dynamics. The approach thus allows us to combine exact stochastic methods, feasible for short times, with long-time master equation simulations. The applicability of the method is demonstrated by numerical simulations of two-dimensional spectra for a donor-acceptor model, and by comparison of the results with those obtained from the reduced hierarchy equations of motion. We further show that the formalism is also applicable to the time evolution of a periodically driven two-level system initially in equilibrium with its environment.

  2. Functional correlations of spatial quantitative EEG and intelligences in a nonalphabetical language group.

    PubMed

    Yang, Chih-Chien; Yang, Chih-Chiang; Chaou, Wun-Tsong

    2005-01-01

    This study investigated any functional correlations between intelligences and spatially recorded quantitative electroencephalograms (QEEGs) in a nonalphabetical language group. Participants, between 6 and 8 years old, were sampled in a teaching hospital located at the central Taiwan region. The Chinese Wechsler Intelligence Scale for Children-III (WISC-III) intelligence test and quantitative electroencephalograph recording procedures were both administrated to collect data. Intelligences were divided into two categories, verbal and performance intelligences, for statistical investigations. Statistical analyses of the noncontaminated QEEG dataset investigated the differentiability of each frequency on a single cortical region and coherence between cortical regions. Low QEEG frequencies were found to have a significant correlation with intelligences on some cortical regions. Coherence between symmetric cortical regions was found to be an important factor in predicting intelligences. Results showed the feasibility of functional brain mapping in the particular language population.

  3. Diatomic bond lengths and vibrational frequencies: assessment of recently developed exchange-correlation functionals

    NASA Astrophysics Data System (ADS)

    Menconi, Giuseppina; Tozer, David J.

    2002-07-01

    Bond lengths and harmonic vibrational frequencies of 45 singlet ground state diatomic molecules, drawn evenly from three rows of the periodic table (Li-Br), are determined using Kohn-Sham theory with the HCTH93, HCTH407, 1/4, PBE, B3LYP, B97-2, and PBE0 exchange-correlation functionals. The highly parameterised 1/4 functional, which depends on the density and its gradient with no orbital exchange, provides the best overall performance. The 1/4 exchange-correlation enhancement factor plot differs considerably from that of HCTH93 and HCTH407. As demanded by the uniform density scaling condition, the curves of different Wigner-Seitz radius do not cross.

  4. On universality of stress-energy tensor correlation functions in supergravity [rapid communication

    NASA Astrophysics Data System (ADS)

    Buchel, Alex

    2005-03-01

    Using the Minkowski space AdS/CFT prescription we explicitly compute in the low-energy limit the two-point correlation function of the boundary stress-energy tensor in a large class of type IIB supergravity backgrounds with a regular translationally invariant horizon. The relevant set of supergravity backgrounds includes all geometries which can be interpreted via gauge theory/string theory correspondence as being holographically dual to finite temperature gauge theories in Minkowski space-times. The fluctuation-dissipation theorem relates this correlation function computation to the previously established universality of the shear viscosity from supergravity duals, and to the universality of the low energy absorption cross section for minimally coupled massless scalars into a general spherically symmetric black hole. It further generalizes the latter results for the supergravity black brane geometries with non-spherical horizons.

  5. Accelerating the two-point and three-point galaxy correlation functions using Fourier transforms

    NASA Astrophysics Data System (ADS)

    Slepian, Zachary; Eisenstein, Daniel J.

    2016-01-01

    Though Fourier transforms (FTs) are a common technique for finding correlation functions, they are not typically used in computations of the anisotropy of the two-point correlation function (2PCF) about the line of sight in wide-angle surveys because the line-of-sight direction is not constant on the Cartesian grid. Here we show how FTs can be used to compute the multipole moments of the anisotropic 2PCF. We also show how FTs can be used to accelerate the 3PCF algorithm of Slepian & Eisenstein. In both cases, these FT methods allow one to avoid the computational cost of pair counting, which scales as the square of the number density of objects in the survey. With the upcoming large data sets of Dark Energy Spectroscopic Instrument, Euclid, and Large Synoptic Survey Telescope, FT techniques will therefore offer an important complement to simple pair or triplet counts.

  6. Probing Galactic Structure with the Spatial Correlation Function of SEGUE G-dwarf Stars

    NASA Astrophysics Data System (ADS)

    Mao, Qingqing; Berlind, Andreas A.; Holley-Bockelmann, Kelly; Schlesinger, Katharine; Johnson, Jennifer; Rockosi, Constance M.

    2015-01-01

    We apply a commonly-used tool in large scale structure surveys, the 3-dimensional two-point correlation function, to G dwarfs in the Milky Way in an effort to constrain Galactic structure and to search for statistically significant stellar clustering. Our G-dwarf sample is constructed from SDSS SEGUE data by Schlesinger et al. (2012). We find that the correlation function shape along individual SEGUE lines of sight depends sensitively on both the stellar density gradients and the survey geometry. By fitting mock measurements of smooth disk galaxy models to SEGUE data measurements, we obtain strong constraints on the thin and thick disk components of the Milky Way. We also find that the two smooth disks model cannot fully explain the SEGUE data, which indicates substructure on very small scales.

  7. Causal Correlation Functions and Fourier Transforms: Application in Calculating Pressure Induced Shifts

    NASA Astrophysics Data System (ADS)

    Ma, Q.; Tipping, R. H.; Lavrentieva, N. N.

    2012-06-01

    By adopting a concept from signal processing, instead of starting from the correlation functions which are even, one considers the causal correlation functions whose Fourier transforms become complex. Their real and imaginary parts multiplied by 2 are the Fourier transforms of the original correlations and the subsequent Hilbert transforms, respectively. Thus, by taking this step one can complete the two previously needed transforms. However, to obviate performing the Cauchy principal integrations required in the Hilbert transforms is the greatest advantage. Meanwhile, because the causal correlations are well-bounded within the time domain and band limited in the frequency domain, one can replace their Fourier transforms by the discrete Fourier transforms and the latter can be carried out with the FFT algorithm. This replacement is justified by sampling theory because the Fourier transforms can be derived from the discrete Fourier transforms with the Nyquis rate without any distortions. We apply this method in calculating pressure induced shifts of H_2O lines and obtain more reliable values. By comparing the calculated shifts with those in HITRAN 2008 and by screening both of them with the pair identity and the smooth variation rules, one can conclude many of shift values in HITRAN are not correct. Q. Ma, R. H. Tipping, and N. N. Lavrentieva, JQSRT dio:10.1016/j.jqsrt.2012.02.012 (2012).

  8. A comment on the rank correlation merit function for 2D/3D registration

    NASA Astrophysics Data System (ADS)

    Figl, Michael; Bloch, Christoph; Birkfellner, Wolfgang

    2010-02-01

    Lots of procedures in computer assisted interventions register pre-interventionally generated 3D data sets to the intraoperative situation using fast and simply generated 2D images, e.g. from a C-Arm, a B-mode Ultrasound, etc. Registration is typically done by generating a 2D image out of the 3D data set, comparison to the original 2D image using a planar similarity measure and subsequent optimisation. As these two images can be very different, a lot of different comparison functions are in use. In a recent article Stochastic Rank Correlation, a merit function based on Spearman's rank correlation coefficient was presented. By comparing randomly chosen subsets of the images, the authors wanted to avoid the computational expense of sorting all the points in the image. In the current paper we show that, because of the limited grey level range in medical images, full image rank correlation can be computed almost as fast as Pearson's correlation coefficient. A run time estimation is illustrated with numerical results using a 2D Shepp-Logan phantom at different sizes, and a sample data set of a pig.

  9. Causal Correlation Functions and Fourier Transforms: Application in Calculating Pressure Induced Shifts

    NASA Technical Reports Server (NTRS)

    Ma, Q.; Tipping, R. H.; Lavrentieva, N. N.

    2012-01-01

    By adopting a concept from signal processing, instead of starting from the correlation functions which are even, one considers the causal correlation functions whose Fourier transforms become complex. Their real and imaginary parts multiplied by 2 are the Fourier transforms of the original correlations and the subsequent Hilbert transforms, respectively. Thus, by taking this step one can complete the two previously needed transforms. However, to obviate performing the Cauchy principal integrations required in the Hilbert transforms is the greatest advantage. Meanwhile, because the causal correlations are well-bounded within the time domain and band limited in the frequency domain, one can replace their Fourier transforms by the discrete Fourier transforms and the latter can be carried out with the FFT algorithm. This replacement is justified by sampling theory because the Fourier transforms can be derived from the discrete Fourier transforms with the Nyquis rate without any distortions. We apply this method in calculating pressure induced shifts of H2O lines and obtain more reliable values. By comparing the calculated shifts with those in HITRAN 2008 and by screening both of them with the pair identity and the smooth variation rules, one can conclude many of shift values in HITRAN are not correct.

  10. Correlation between morphology and function of the upper lip: a longitudinal evaluation.

    PubMed

    Ambrosio, Aldrieli Regina; Trevilatto, Paula Cristina; Sakima, Tatsuko; Ignácio, Sérgio Aparecido; Shimizu, Roberto Hideo

    2009-06-01

    In order to evaluate the relationship between the morphology of the upper lip and muscle activity in a sample of 38 subjects (17 males and 21 females) with Angle Class II division 1 malocclusions, cephalometric and electromyographic analyses were conducted. The sample was subdivided into either predominantly nose or mouth breathers. The individuals were evaluated at two different periods, with a 2 year interval. At the first observation, the subjects were 11 years to 14 years 11 months of age and at the second observation, 13 years 4 months to 16 years 6 months of age. Height and thickness of the upper lip were measured on lateral cephalograms with the aid of a digital pachymeter. For each individual, electromyographic records were obtained of the orbicularis oris superior muscle at rest and in a series of 12 movements. The electromyographic data were normalized as a function of amplitude, for achievement of the percentage value of each movement. Pearson and Spearman correlation tests were applied. The results showed some correlation between morphology and muscle function (at a confidence level of 95 per cent). However, as the values of the correlation coefficient (r) were too low to establish associations between variables, it was concluded that the dimensions of the upper lip are not correlated with muscle activity.

  11. Exact thermal density functional theory for a model system: Correlation components and accuracy of the zero-temperature exchange-correlation approximation

    NASA Astrophysics Data System (ADS)

    Smith, J. C.; Pribram-Jones, A.; Burke, K.

    2016-06-01

    Thermal density functional theory calculations often use the Mermin-Kohn-Sham scheme, but employ ground-state approximations to the exchange-correlation (XC) free energy. In the simplest solvable nontrivial model, an asymmetric Hubbard dimer, we calculate the exact many-body energies and the exact Mermin-Kohn-Sham functionals for this system and extract the exact XC free energy. For moderate temperatures and weak correlation, we find this approximation to be excellent. We extract various exact free-energy correlation components and the exact adiabatic connection formula.

  12. Evidence for correlations between distant intentionality and brain function in recipients: a functional magnetic resonance imaging analysis.

    PubMed

    Achterberg, Jeanne; Cooke, Karin; Richards, Todd; Standish, Leanna J; Kozak, Leila; Lake, James

    2005-12-01

    This study, using functional magnetic resonance imaging (fMRI) technology, demonstrated that distant intentionality (DI), defined as sending thoughts at a distance, is correlated with an activation of certain brain functions in the recipients. Eleven healers who espoused some form for connecting or healing at a distance were recruited from the island of Hawaii. Each healer selected a person with whom they felt a special connection as a recipient for DI. The recipient was placed in the MRI scanner and isolated from all forms of sensory contact from the healer. The healers sent forms of DI that related to their own healing practices at random 2-minute intervals that were unknown to the recipient. Significant differences between experimental (send) and control (no send) procedures were found (p = 0.000127). Areas activated during the experimental procedures included the anterior and middle cingulate area, precuneus, and frontal area. It was concluded that instructions to a healer to make an intentional connection with a sensory isolated person can be correlated to changes in brain function of that individual.

  13. Correlation functions of integrable models: A description of the ABACUS algorithm

    NASA Astrophysics Data System (ADS)

    Caux, Jean-Sébastien

    2009-09-01

    Recent developments in the theory of integrable models have provided the means of calculating dynamical correlation functions of some important observables in systems such as Heisenberg spin chains and one-dimensional atomic gases. This article explicitly describes how such calculations are generally implemented in the ABACUS C++ library, emphasizing the universality in treatment of different cases coming as a consequence of unifying features within the Bethe ansatz.

  14. Density Density Correlation Function for a Bose-Einstein Condensate Analog Black Hole

    NASA Astrophysics Data System (ADS)

    Anderson, Paul; Balbinot, Roberto; Fabbri, Alessandro; Parentani, Renaud

    2013-04-01

    The density density correlation function is computed for an analog black hole which consists of a Bose-Einstein condensate with an acoustic horizon. The method used relies only on quantum field theory in curved spacetime techniques. A comparison with the results obtained by ab initio full condensed matter calculations is given, confirming the validity of the approximation used provided the profile of the flow varies smoothly on scales compared to the condensate healing length.

  15. Non-oscillatory flux correlation functions for efficient nonadiabatic rate theory

    SciTech Connect

    Richardson, Jeremy O. Thoss, Michael

    2014-08-21

    There is currently much interest in the development of improved trajectory-based methods for the simulation of nonadiabatic processes in complex systems. An important goal for such methods is the accurate calculation of the rate constant over a wide range of electronic coupling strengths and it is often the nonadiabatic, weak-coupling limit, which being far from the Born-Oppenheimer regime, provides the greatest challenge to current methods. We show that in this limit there is an inherent sign problem impeding further development which originates from the use of the usual quantum flux correlation functions, which can be very oscillatory at short times. From linear response theory, we derive a modified flux correlation function for the calculation of nonadiabatic reaction rates, which still rigorously gives the correct result in the long-time limit regardless of electronic coupling strength, but unlike the usual formalism is not oscillatory in the weak-coupling regime. In particular, a trajectory simulation of the modified correlation function is naturally initialized in a region localized about the crossing of the potential energy surfaces. In the weak-coupling limit, a simple link can be found between the dynamics initialized from this transition-state region and an generalized quantum golden-rule transition-state theory, which is equivalent to Marcus theory in the classical harmonic limit. This new correlation function formalism thus provides a platform on which a wide variety of dynamical simulation methods can be built aiding the development of accurate nonadiabatic rate theories applicable to complex systems.

  16. Analytic representations of bath correlation functions for ohmic and superohmic spectral densities using simple poles

    SciTech Connect

    Ritschel, Gerhard; Eisfeld, Alexander

    2014-09-07

    We present a scheme to express a bath correlation function (BCF) corresponding to a given spectral density (SD) as a sum of damped harmonic oscillations. Such a representation is needed, for example, in many open quantum system approaches. To this end we introduce a class of fit functions that enables us to model ohmic as well as superohmic behavior. We show that these functions allow for an analytic calculation of the BCF using pole expansions of the temperature dependent hyperbolic cotangent. We demonstrate how to use these functions to fit spectral densities exemplarily for cases encountered in the description of photosynthetic light harvesting complexes. Finally, we compare absorption spectra obtained for different fits with exact spectra and show that it is crucial to take properly into account the behavior at small frequencies when fitting a given SD.

  17. Function changing mutations in glucocorticoid receptor evolution correlate with their relevance to mode coupling.

    PubMed

    Kav, Batuhan; Öztürk, Murat; Kabakçιoğlu, Alkan

    2016-05-01

    Nonlinear effects in protein dynamics are expected to play role in function, particularly of allosteric nature, by facilitating energy transfer between vibrational modes. A recently proposed method focusing on the non-Gaussian shape of the configurational population near equilibrium projects this information onto real space in order to identify the aminoacids relevant to function. We here apply this method to three ancestral proteins in glucocorticoid receptor (GR) family and show that the mutations that restrict functional activity during GR evolution correlate significantly with locations that are highlighted by the nonlinear contribution to the near-native configurational distribution. Our findings demonstrate that the analysis of nonlinear effects in protein dynamics can be harnessed into a predictive tool for functional site determination. PMID:26873882

  18. Three-dimensional eukaryotic genomic organization is strongly correlated with codon usage expression and function.

    PubMed

    Diament, Alon; Pinter, Ron Y; Tuller, Tamir

    2014-01-01

    It has been shown that the distribution of genes in eukaryotic genomes is not random; however, formerly reported relations between gene function and genomic organization were relatively weak. Previous studies have demonstrated that codon usage bias is related to all stages of gene expression and to protein function. Here we apply a novel tool for assessing functional relatedness, codon usage frequency similarity (CUFS), which measures similarity between genes in terms of codon and amino acid usage. By analyzing chromosome conformation capture data, describing the three-dimensional (3D) conformation of the DNA, we show that the functional similarity between genes captured by CUFS is directly and very strongly correlated with their 3D distance in Saccharomyces cerevisiae, Schizosaccharomyces pombe, Arabidopsis thaliana, mouse and human. This emphasizes the importance of three-dimensional genomic localization in eukaryotes and indicates that codon usage is tightly linked to genome architecture. PMID:25510862

  19. Exploring the z-dependence of the two-point angular correlation function in galaxy clustering

    NASA Astrophysics Data System (ADS)

    Endres, Alyssa; Bellis, Matthew; Bard, Debbie

    2014-03-01

    The two-point angular correlation function (2ACF) is used to quantify the scales of clustering of galaxies. The 2ACF changes as we look further back in time (higher redshift z) and the clustering evolves. We calculate the exact Landy-Szalay estimator for the 2ACF using GPUs (Graphics Processing Units) and employ novel visualizations to observe the evolution of this function with increasing redshift. We use data from the MICE Grand Challenge dataset, a 70-billion particle n-body simulation that is publicly available, and compare to data from the Sloan Digital Sky Survey. The current status of this project will be presented.

  20. Hyperdynamics for entropic systems: time-space compression and pair correlation function approximation.

    PubMed

    Zhou, Xin; Jiang, Yi; Kremer, Kurt; Ziock, Hans; Rasmussen, Steen

    2006-09-01

    We develop a generalized hyperdynamics method that is able to simulate slow dynamics in atomistic general (both energy- and entropy-dominated) systems. We show that a few functionals of the pair correlation function, involving two-body entropy, form a low-dimensional collective space, which is a good approximation that is able to distinguish stable and transitional conformations. A bias potential, which raises the energy in stable regions, is constructed on the fly. We examine the slow nucleation processes of a Lennard-Jones gas and show that our method can generate correct long-time dynamics without prior knowledge.

  1. Recovering the Green's function from field-field correlations in an open scattering medium (L)

    NASA Astrophysics Data System (ADS)

    Derode, Arnaud; Larose, Eric; Tanter, Mickael; de Rosny, Julien; Tourin, Arnaud; Campillo, Michel; Fink, Mathias

    2003-06-01

    The possibility of recovering the Green's function from the field-field correlations of coda waves in an open multiple scattering medium is investigated. The argument is based on fundamental symmetries of reciprocity, time-reversal invariance, and the Helmholtz-Kirchhoff theorem. A criterion is defined, indicating how sources should be placed inside an open medium in order to recover the Green's function between two passive receivers. The case of noise sources is also discussed. Numerical experiments of ultrasonic wave propagation in a multiple scattering medium are presented to support the argument.

  2. Statistics of time delay and scattering correlation functions in chaotic systems. I. Random matrix theory

    SciTech Connect

    Novaes, Marcel

    2015-06-15

    We consider the statistics of time delay in a chaotic cavity having M open channels, in the absence of time-reversal invariance. In the random matrix theory approach, we compute the average value of polynomial functions of the time delay matrix Q = − iħS{sup †}dS/dE, where S is the scattering matrix. Our results do not assume M to be large. In a companion paper, we develop a semiclassical approximation to S-matrix correlation functions, from which the statistics of Q can also be derived. Together, these papers contribute to establishing the conjectured equivalence between the random matrix and the semiclassical approaches.

  3. QCD Evolution of Naive-Time Quark-Gluon Correlation Functions

    NASA Astrophysics Data System (ADS)

    Kang, Zhong-Bo; Qiu, Jian-Wei

    In this talk, we examine the existing calculations of QCD evolution kernels for the scale dependence of two sets of twist-3 quark-gluon correlation functions, Tq,F(x, x) and T(σ ){q, F}(x, x), which are the first transverse-momentum-moment of the naive-time-reversal-odd Sivers and Boer-Mulders function, respectively. The evolution kernels at the leading order in strong coupling constant αs were derived by several groups with apparent differences. We identify the sources of discrepancies and are able to reconcile the results from various groups.

  4. Correlation between mobility assessed by the Modified Rivermead Mobility Index and physical function in stroke patients

    PubMed Central

    Park, Gi-Tae; Kim, Mihyun

    2016-01-01

    [Purpose] The purpose of this study was to investigate the relationship between mobility assessed by the Modified Rivermead Mobility Index and variables associated with physical function in stroke patients. [Subjects and Methods] One hundred stroke patients (35 males and 65 females; age 58.60 ± 13.91 years) participated in this study. Modified Rivermead Mobility Index, muscle strength (manual muscle test), muscle tone (Modified Ashworth Scale), range of motion of lower extremity, sensory function (light touch and proprioception tests), and coordination (heel to shin and lower-extremity motor coordination tests) were assessed. [Results] The Modified Rivermead Mobility Index was correlated with all the physical function variables assessed, except the degree of knee extension. In addition, stepwise linear regression analysis revealed that coordination (heel to shin test) was the explanatory variable closely associated with mobility in stroke patients. [Conclusion] The Modified Rivermead Mobility Index score was significantly correlated with all the physical function variables. Coordination (heel to shin test) was closely related to mobility function. These results may be useful in developing rehabilitation programs for stroke patients. PMID:27630440

  5. Correlation between mobility assessed by the Modified Rivermead Mobility Index and physical function in stroke patients.

    PubMed

    Park, Gi-Tae; Kim, Mihyun

    2016-08-01

    [Purpose] The purpose of this study was to investigate the relationship between mobility assessed by the Modified Rivermead Mobility Index and variables associated with physical function in stroke patients. [Subjects and Methods] One hundred stroke patients (35 males and 65 females; age 58.60 ± 13.91 years) participated in this study. Modified Rivermead Mobility Index, muscle strength (manual muscle test), muscle tone (Modified Ashworth Scale), range of motion of lower extremity, sensory function (light touch and proprioception tests), and coordination (heel to shin and lower-extremity motor coordination tests) were assessed. [Results] The Modified Rivermead Mobility Index was correlated with all the physical function variables assessed, except the degree of knee extension. In addition, stepwise linear regression analysis revealed that coordination (heel to shin test) was the explanatory variable closely associated with mobility in stroke patients. [Conclusion] The Modified Rivermead Mobility Index score was significantly correlated with all the physical function variables. Coordination (heel to shin test) was closely related to mobility function. These results may be useful in developing rehabilitation programs for stroke patients. PMID:27630440

  6. Correlation between mobility assessed by the Modified Rivermead Mobility Index and physical function in stroke patients.

    PubMed

    Park, Gi-Tae; Kim, Mihyun

    2016-08-01

    [Purpose] The purpose of this study was to investigate the relationship between mobility assessed by the Modified Rivermead Mobility Index and variables associated with physical function in stroke patients. [Subjects and Methods] One hundred stroke patients (35 males and 65 females; age 58.60 ± 13.91 years) participated in this study. Modified Rivermead Mobility Index, muscle strength (manual muscle test), muscle tone (Modified Ashworth Scale), range of motion of lower extremity, sensory function (light touch and proprioception tests), and coordination (heel to shin and lower-extremity motor coordination tests) were assessed. [Results] The Modified Rivermead Mobility Index was correlated with all the physical function variables assessed, except the degree of knee extension. In addition, stepwise linear regression analysis revealed that coordination (heel to shin test) was the explanatory variable closely associated with mobility in stroke patients. [Conclusion] The Modified Rivermead Mobility Index score was significantly correlated with all the physical function variables. Coordination (heel to shin test) was closely related to mobility function. These results may be useful in developing rehabilitation programs for stroke patients.

  7. Correlation between mobility assessed by the Modified Rivermead Mobility Index and physical function in stroke patients

    PubMed Central

    Park, Gi-Tae; Kim, Mihyun

    2016-01-01

    [Purpose] The purpose of this study was to investigate the relationship between mobility assessed by the Modified Rivermead Mobility Index and variables associated with physical function in stroke patients. [Subjects and Methods] One hundred stroke patients (35 males and 65 females; age 58.60 ± 13.91 years) participated in this study. Modified Rivermead Mobility Index, muscle strength (manual muscle test), muscle tone (Modified Ashworth Scale), range of motion of lower extremity, sensory function (light touch and proprioception tests), and coordination (heel to shin and lower-extremity motor coordination tests) were assessed. [Results] The Modified Rivermead Mobility Index was correlated with all the physical function variables assessed, except the degree of knee extension. In addition, stepwise linear regression analysis revealed that coordination (heel to shin test) was the explanatory variable closely associated with mobility in stroke patients. [Conclusion] The Modified Rivermead Mobility Index score was significantly correlated with all the physical function variables. Coordination (heel to shin test) was closely related to mobility function. These results may be useful in developing rehabilitation programs for stroke patients.

  8. Linearized semiclassical initial value time correlation functions with maximum entropy analytic continuation

    SciTech Connect

    Liu, Jian; Miller, William H.

    2008-08-01

    The maximum entropy analytic continuation (MEAC) method is used to extend the range of accuracy of the linearized semiclassical initial value representation (LSC-IVR)/classical Wigner approximation for real time correlation functions. The LSC-IVR provides a very effective 'prior' for the MEAC procedure since it is very good for short times, exact for all time and temperature for harmonic potentials (even for correlation functions of nonlinear operators), and becomes exact in the classical high temperature limit. This combined MEAC+LSC/IVR approach is applied here to two highly nonlinear dynamical systems, a pure quartic potential in one dimensional and liquid para-hydrogen at two thermal state points (25K and 14K under nearly zero external pressure). The former example shows the MEAC procedure to be a very significant enhancement of the LSC-IVR, for correlation functions of both linear and nonlinear operators, and especially at low temperature where semiclassical approximations are least accurate. For liquid para-hydrogen, the LSC-IVR is seen already to be excellent at T = 25K, but the MEAC procedure produces a significant correction at the lower temperature (T = 14K). Comparisons are also made to how the MEAC procedure is able to provide corrections for other trajectory-based dynamical approximations when used as priors.

  9. Spectral correlation functions of the sum of two independent complex Wishart matrices with unequal covariances

    NASA Astrophysics Data System (ADS)

    Akemann, Gernot; Checinski, Tomasz; Kieburg, Mario

    2016-08-01

    We compute the spectral statistics of the sum H of two independent complex Wishart matrices, each of which is correlated with a different covariance matrix. Random matrix theory enjoys many applications including sums and products of random matrices. Typically ensembles with correlations among the matrix elements are much more difficult to solve. Using a combination of supersymmetry, superbosonisation and bi-orthogonal functions we are able to determine all spectral k-point density correlation functions of H for arbitrary matrix size N. In the half-degenerate case, when one of the covariance matrices is proportional to the identity, the recent results by Kumar for the joint eigenvalue distribution of H serve as our starting point. In this case the ensemble has a bi-orthogonal structure and we explicitly determine its kernel, providing its exact solution for finite N. The kernel follows from computing the expectation value of a single characteristic polynomial. In the general non-degenerate case the generating function for the k-point resolvent is determined from a supersymmetric evaluation of the expectation value of k ratios of characteristic polynomials. Numerical simulations illustrate our findings for the spectral density at finite N and we also give indications how to do the asymptotic large-N analysis.

  10. Correlation functions for the fractional generalized Langevin equation in the presence of internal and external noise

    NASA Astrophysics Data System (ADS)

    Sandev, Trifce; Metzler, Ralf; Tomovski, Živorad

    2014-02-01

    We study generalized fractional Langevin equations in the presence of a harmonic potential. General expressions for the mean velocity and particle displacement, the mean squared displacement, position and velocity correlation functions, as well as normalized displacement correlation function are derived. We report exact results for the cases of internal and external friction, that is, when the driving noise is either internal and thus the fluctuation-dissipation relation is fulfilled or when the noise is external. The asymptotic behavior of the generalized stochastic oscillator is investigated, and the case of high viscous damping (overdamped limit) is considered. Additional behaviors of the normalized displacement correlation functions different from those for the regular damped harmonic oscillator are observed. In addition, the cases of a constant external force and the force free case are obtained. The validity of the generalized Einstein relation for this process is discussed. The considered fractional generalized Langevin equation may be used to model anomalous diffusive processes including single file-type diffusion.

  11. Correlation functions for the fractional generalized Langevin equation in the presence of internal and external noise

    SciTech Connect

    Sandev, Trifce; Metzler, Ralf; Tomovski, Živorad

    2014-02-15

    We study generalized fractional Langevin equations in the presence of a harmonic potential. General expressions for the mean velocity and particle displacement, the mean squared displacement, position and velocity correlation functions, as well as normalized displacement correlation function are derived. We report exact results for the cases of internal and external friction, that is, when the driving noise is either internal and thus the fluctuation-dissipation relation is fulfilled or when the noise is external. The asymptotic behavior of the generalized stochastic oscillator is investigated, and the case of high viscous damping (overdamped limit) is considered. Additional behaviors of the normalized displacement correlation functions different from those for the regular damped harmonic oscillator are observed. In addition, the cases of a constant external force and the force free case are obtained. The validity of the generalized Einstein relation for this process is discussed. The considered fractional generalized Langevin equation may be used to model anomalous diffusive processes including single file-type diffusion.

  12. Clinical Correlates of Awareness for Balance, Function, and Memory: Evidence for the Modality Specificity of Awareness

    PubMed Central

    O'Connell, Megan E.; Crossley, Margaret; Morgan, Debra

    2014-01-01

    Awareness in dementia is increasingly recognized not only as multifactorial, but also as domain specific. We demonstrate differential clinical correlates for awareness of daily function, awareness of memory, and the novel exploration of awareness of balance. Awareness of function was higher for participants with mild cognitive impairment (aMCI and non-aMCI) than for those with dementia (due to Alzheimer disease; AD and non-AD), whereas awareness of memory was higher for both non-aMCI and non-AD dementia patients than for those with aMCI or AD. Balance awareness did not differ based on diagnostic subgroup. Awareness of function was associated with instrumental activities of daily living and caregiver burden. In contrast, awareness of balance was associated with fall history, balance confidence, and instrumental activities of daily living. Clinical correlates of awareness of memory depended on diagnostic group: associations held with neuropsychological variables for non-AD dementia, but for patients with AD dementia, depression and instrumental activities of daily living were clinical correlates of memory awareness. Together, these data provide support for the hypothesis that awareness and dementia are not unitary and are, instead, modality specific. PMID:24551452

  13. Motor Coordination Correlates with Academic Achievement and Cognitive Function in Children

    PubMed Central

    Fernandes, Valter R.; Ribeiro, Michelle L. Scipião; Melo, Thais; de Tarso Maciel-Pinheiro, Paulo; Guimarães, Thiago T.; Araújo, Narahyana B.; Ribeiro, Sidarta; Deslandes, Andréa C.

    2016-01-01

    The relationship between exercise and cognition is an important topic of research that only recently began to unravel. Here, we set out to investigate the relation between motor skills, cognitive function, and school performance in 45 students from 8 to 14 years of age. We used a cross-sectional design to evaluate motor coordination (Touch Test Disc), agility (Shuttle Run Speed—running back and forth), school performance (Academic Achievement Test), the Stroop test, and six sub-tests of the Wechsler Intelligence Scale for Children-IV (WISC-IV). We found, that the Touch Test Disc was the best predictor of school performance (R2 = 0.20). Significant correlations were also observed between motor coordination and several indices of cognitive function, such as the total score of the Academic Achievement Test (AAT; Spearman's rho = 0.536; p ≤ 0.001), as well as two WISC-IV sub-tests: block design (R = −0.438; p = 0.003) and cancelation (rho = −0.471; p = 0.001). All the other cognitive variables pointed in the same direction, and even correlated with agility, but did not reach statistical significance. Altogether, the data indicate that visual motor coordination and visual selective attention, but not agility, may influence academic achievement and cognitive function. The results highlight the importance of investigating the correlation between physical skills and different aspects of cognition. PMID:27014130

  14. Small-angle neutron scattering correlation functions of bulk magnetic materials

    PubMed Central

    Mettus, Denis; Michels, Andreas

    2015-01-01

    On the basis of the continuum theory of micromagnetics, the correlation function of the spin-misalignment small-angle neutron scattering cross section of bulk ferromagnets (e.g. elemental polycrystalline ferromagnets, soft and hard magnetic nanocomposites, nanoporous ferromagnets, or magnetic steels) is computed. For such materials, the spin disorder which is related to spatial variations in the saturation magnetization and magnetic anisotropy field results in strong spin-misalignment scattering dΣM/dΩ along the forward direction. When the applied magnetic field is perpendicular to the incoming neutron beam, the characteristics of dΣM/dΩ (e.g. the angular anisotropy on a two-dimensional detector or the asymptotic power-law exponent) are determined by the ratio of magnetic anisotropy field strength H p to the jump ΔM in the saturation magnetization at internal interfaces. Here, the corresponding one- and two-dimensional real-space correlations are analyzed as a function of applied magnetic field, the ratio H p/ΔM, the single-particle form factor and the particle volume fraction. Finally, the theoretical results for the correlation function are compared with experimental data on nanocrystalline cobalt and nickel. PMID:26500464

  15. Report on 3 and 4-point correlation statistics in the COBE DMR anisotrophy maps

    NASA Technical Reports Server (NTRS)

    Hinshaw, Gary (Principal Investigator); Gorski, Krzystof M.; Banday, Anthony J.; Bennett, Charles L.

    1996-01-01

    As part of the work performed under NASA contract # NAS5-32648, we have computed the 3-point and 4-point correlation functions of the COBE-DNIR 2-year and 4-year anisotropy maps. The motivation for this study was to search for evidence of non-Gaussian statistical fluctuations in the temperature maps: skewness or asymmetry in the case of the 3-point function, kurtosis in the case of the 4-point function. Such behavior would have very significant implications for our understanding of the processes of galaxy formation, because our current models of galaxy formation predict that non-Gaussian features should not be present in the DMR maps. The results of our work showed that the 3-point correlation function is consistent with zero and that the 4-point function is not a very sensitive probe of non-Gaussian behavior in the COBE-DMR data. Our computation and analysis of 3-point correlations in the 2-year DMR maps was published in the Astrophysical Journal Letters, volume 446, page L67, 1995. Our computation and analysis of 3-point correlations in the 4-year DMR maps will be published, together with some additional tests, in the June 10, 1996 issue of the Astrophysical Journal Letters. Copies of both of these papers are attached as an appendix to this report.

  16. Time-dependent methods for calculating thermal rate coefficients using flux correlation functions

    NASA Astrophysics Data System (ADS)

    Thachuk, Mark; Schatz, George C.

    1992-11-01

    In this paper we study numerical methods for calculating thermal rate coefficients using flux correlation functions, with the goal of determining optimal methods for producing values with a specified accuracy. In all cases we employ grid based methods for solving the time-dependent Schrödinger equation in one mathematical dimension for a simple barrier potential function. The solutions are used to determine the propagator matrix elements needed to evaluate the flux correlation functions. Within this framework, we examine (1) several time-dependent methods for propagating the wave packets, (2) several procedures for evaluating the action of the Hamiltonian on the wave function, (3) the choice of complex time contours for evaluating the rate coefficient expression, (4) alternatives for estimating the initial short-time evolution of the wave packet (which starts as a δ function), (5) quadrature methods for evaluating the spatial and time integrals appearing in the flux correlation function, and (6) special numerical strategies which can dramatically improve the accuracy of the calculation, particularly at low temperatures. We find that several methods yield rate coefficients accurate to 1% or 0.1% using about the same computational effort. These include (a) split-operator time propagators combined with fast-Fourier-transform evaluations of the wave-function derivatives, and (b) the Chebyshev time propagator combined with either an eleventh-order finite-difference or fifth-order spline evaluation of the wave-function derivatives. These finite-difference and spline methods can also be used competitively with the split-operator approach provided that a Crank-Nicholson approximation is utilized in evaluating the action of the kinetic-energy propagator. It was also found that inaccuracies in estimating the initial short-time behavior of the wave function could limit the effectiveness of the more accurate methods. A multigrid approach based on the split

  17. Radial and angular correlations of two excited electrons. IV. Comparison of configuration-interaction wave functions with the group-theoretical basis functions

    NASA Astrophysics Data System (ADS)

    Lin, C. D.; Macek, J. H.

    1984-05-01

    Doubly-excited-state basis (DESB) functions of Herrick and Sinanoǧlu are compared with the large-scale configuration-interaction (CI) wave functions of Lipsky et al., and with the adiabatic channel functions in hyperspherical coordinates. It is shown that DESB functions will represent those states where the mean value of θ12 is large. Owing to the absence of intershell correlations, and a consequent underestimation of radial correlations, the DESB functions give excessive concentrations near θ12=0 for other, less sharply correlated in angle, states.

  18. A correlation study of telomere length in peripheral blood leukocytes and kidney function with age.

    PubMed

    Zhang, Wei-Guang; Wang, Yong; Hou, Kai; Jia, Lin-Pei; Ma, Jie; Zhao, De-Long; Zhu, Shu-Ying; Bai, Xiao-Juan; Cai, Guang-Yan; Wang, Yan-Ping; Sun, Xue-Feng; Chen, Xiang-Mei

    2015-06-01

    The current study aimed to investigate the association between telomere length in peripheral blood leukocytes and kidney function in various age groups of a healthy population. A total of 139 healthy individuals were divided into five groups according to their age: 35‑44, 45‑54, 55‑64, 65‑74 and >75 years old. Peripheral blood leukocytes were obtained and the telomere restriction fragment (TRF) length was assayed using a digoxigenin‑labeled hybridization probe in Southern blot assays. Laboratory assays of kidney function were also performed. A correlation was observed between TRF length and age (r=‑0.314, P<0.001), with the telomere length of the individuals >75 years group being significantly shorter than the telomere length of the 35‑44, 45‑54 and 55‑64 years age groups (P<0.05). By contrast, the TRF length for males versus females did not differ for any of the age groups, while a correlation was observed between TRF length and serum levels of cystatin C (r=‑0.195, P<0.05). There was also a correlation between TRF length and glomerular filtration rate (r=‑0.184, P<0.05). The current study demonstrated that in this cohort, leukocyte telomere length reduced with age and was correlated with serum levels of cystatin C and glomerular filtration rate. Therefore, TRF length is associated with kidney function and may serve as a marker of aging.

  19. Amplitude Function of Asymptotic Correlations Along Charged Wall in Coulomb Fluids

    NASA Astrophysics Data System (ADS)

    Šamaj, Ladislav

    2016-07-01

    In classical semi-infinite Coulomb fluids, two-point correlation functions exhibit a slow inverse-power law decay along a uniformly charged wall. In this work, we concentrate on the corresponding amplitude function which depends on the distances of the two points from the wall. Recently Šamaj (J Stat Phys 161:227-249 2015), applying a technique of anticommuting variables to a 2D system of charged rectilinear wall with "counter-ions only", we derived a relation between the amplitude function and the density profile which holds for any temperature. In this paper, using the Möbius conformal transformation of particle coordinates in a disc, a new relation between the amplitude function and the density profile is found for that model. In all exactly solvable cases, the amplitude function factorizes itself in the two distances from the wall. Presupposing this factorization property at any temperature and using specific sum rules for semi-infinite geometries, a relation between the amplitude function of the charge-charge structure function and the charge profile is derived for many-component Coulomb fluids in any dimension.

  20. Correlation functions with fusion-channel multiplicity in {mathcal{W}}_3 Toda field theory

    NASA Astrophysics Data System (ADS)

    Belavin, Vladimir; Estienne, Benoit; Foda, Omar; Santachiara, Raoul

    2016-06-01

    Current studies of {mathcal{W}}_N Toda field theory focus on correlation functions such that the {mathcal{W}}_N highest-weight representations in the fusion channels are multiplicity-free. In this work, we study {mathcal{W}}_3 Toda 4-point functions with multiplicity in the fusion channel. The conformal blocks of these 4-point functions involve matrix elements of a fully-degenerate primary field with a highest-weight in the adjoint representation of mathfrak{s}{mathfrak{l}}_3 , and a fully-degenerate primary field with a highest-weight in the fundamental representation of mathfrak{s}{mathfrak{l}}_3 . We show that, when the fusion rules do not involve multiplicities, the matrix elements of the fully-degenerate adjoint field, between two arbitrary descendant states, can be computed explicitly, on equal footing with the matrix elements of the semi-degenerate fundamental field. Using null-state conditions, we obtain a fourth-order Fuchsian differential equation for the conformal blocks. Using Okubo theory, we show that, due to the presence of multiplicities, this differential equation belongs to a class of Fuchsian equations that is different from those that have appeared so far in {mathcal{W}}_N theories. We solve this equation, compute its monodromy group, and construct the monodromy-invariant correlation functions. This computation shows in detail how the ambiguities that are caused by the presence of multiplicities are fixed by requiring monodromy-invariance.

  1. Correlation of thiamine metabolite levels with cognitive function in the non-demented elderly.

    PubMed

    Lu, Jingwen; Pan, Xiaoli; Fei, Guoqiang; Wang, Changpeng; Zhao, Lei; Sang, Shaoming; Liu, Huimin; Liu, Meng; Wang, Hui; Wang, Zhiliang; Zhong, Chunjiu

    2015-12-01

    Thiamine metabolism is critical for glucose metabolism and also vital for brain function, which is susceptible to decline in the elderly. This study aimed to investigate whether thiamine metabolites correlate with cognitive function in the non-demented elderly and their impact factors. Volunteers >60 years old were recruited and their blood thiamine metabolites and Mini-Mental State Examination (MMSE) scores were measured. The apolipoprotein E (APOE) genotype, routine blood parameters, liver and kidney function, and levels of fasting blood glucose and triglycerides were also measured. The results showed that the thiamine diphosphate (TDP) level weakly correlated with MMSE score in the non-demented elderly. Participants with high TDP levels performed better in Recall and Attention and Calculation than those with low TDP. TDP levels were associated with the APOE ε2 allele, body mass index, hemoglobin level, fasting blood glucose, and triglycerides. Our results suggest that TDP, which is easily affected by many factors, impacts cognitive function in the elderly. PMID:26519048

  2. Soil structure modeling with different correlation functions: current results and future perspectives

    NASA Astrophysics Data System (ADS)

    Karsanina, M.; Gerke, K.; Vasilyev, R.; Skvortsova, E.

    2012-04-01

    One of the main factors defining numerous flow phenomena in soils and other porous media, including fluid and solute movements, is pore structure, e.g., pore volume and its connectivity. In recent decades different numerical methods were developed to quantify single and multi-phase flow in such media on microscale. Among most popular ones are: 1) a wide range of finite difference/element/volume solutions of Navier-Stokes equations and its simplifications; 2) lattice-Boltzmann method; 3) pore-network models. Each method has some advantages and weak sides, so that different research teams usually utilize more than one, depending on the study case. Recent progress in X-ray tomography and some other techniques allows precise determination of soil three-dimensional structure, however, a trade-off between resolution and sample size is usually unavoidable. There are situations then only standard two-dimensional information of porous structure is known due to tomography high cost or resolution limitations. But physical modeling on microscale, there most interfacial processes take place requires 3D information. There are three main approaches to reconstruct (using 2D cut(s) or some other limited information/properties) porous media: 1) statistical methods (correlation functions and simulated annealing, multi-point statistics, entropy methods), 2) sequential methods (sphere or other granular packs) and 3) morphological methods. Multi-point statistical method is believed to excel others due to its simplicity with respect to practical applications and better results (in particular pore space connectivity and anisotropy issues). Recently it was shown that cluster function implication significantly improve reconstruction quality, especially in comparison with original Yeong-Torquato technique based on two-point probability and linear functions. Another possible reason for these correlation functions poorer performance is computer power limitations of that time, e.g., high energy

  3. Renormalization group improved computation of correlation functions in theories with nontrivial phase diagram

    NASA Astrophysics Data System (ADS)

    Codello, Alessandro; Tonero, Alberto

    2016-07-01

    We present a simple and consistent way to compute correlation functions in interacting theories with nontrivial phase diagram. As an example we show how to consistently compute the four-point function in three dimensional Z2 -scalar theories. The idea is to perform the path integral by weighting the momentum modes that contribute to it according to their renormalization group (RG) relevance, i.e. we weight each mode according to the value of the running couplings at that scale. In this way, we are able to encode in a loop computation the information regarding the RG trajectory along which we are integrating. We show that depending on the initial condition, or initial point in the phase diagram, we obtain different behaviors of the four-point function at the endpoint of the flow.

  4. Assessment of pulmonary function in local healthy Nepalese men of Dharan and it's anthropometric correlation.

    PubMed

    Prajapati, Rajesh; Sinha, Meenakshi; Paudel, Bishnu Hari; Bhattacharya, Soumya

    2007-09-01

    Healthy non smoking male subjects (n = 150) aged 18-40 years were subjected to pulmonary function testing to establish linear multiple regression model. Pulmonary parameters were considered as independent variables and physical parameters (age, height, weight, body mass index (BMI) and body surface area (BSA) and anthropometric parameters (skin fold thickness (SFT), mid arm circumference and abdominal girth) were taken as dependent variables. This study was undertaken to determine correlation coefficients between dependent variables and different pulmonary independent variables and to derive regression equations or prediction formulae in order to find out the expected normal values for the different lung function tests in a given individual. Present study revealed that the upper body fat distribution, as reflected by biceps skin fold thickness and mid arm circumference, is a significant predicator of ventilatory function.

  5. Waveform modeling and inversion of ambient noise cross-correlation functions in a coastal ocean environment.

    PubMed

    Zang, Xiaoqin; Brown, Michael G; Godin, Oleg A

    2015-09-01

    Theoretical studies have shown that cross-correlation functions (CFs) of time series of ambient noise measured at two locations yield approximations to the Green's functions (GFs) that describe propagation between those locations. Specifically, CFs are estimates of weighted GFs. In this paper, it is demonstrated that measured CFs in the 20-70 Hz band can be accurately modeled as weighted GFs using ambient noise data collected in the Florida Straits at ∼100 m depth with horizontal separations of 5 and 10 km. Two weighting functions are employed. These account for (1) the dipole radiation pattern produced by a near-surface source, and (2) coherence loss of surface-reflecting energy in time-averaged CFs resulting from tidal fluctuations. After describing the relationship between CFs and GFs, the inverse problem is considered and is shown to result in an environmental model for which agreement between computed and simulated CFs is good. PMID:26428771

  6. Waveform modeling and inversion of ambient noise cross-correlation functions in a coastal ocean environment.

    PubMed

    Zang, Xiaoqin; Brown, Michael G; Godin, Oleg A

    2015-09-01

    Theoretical studies have shown that cross-correlation functions (CFs) of time series of ambient noise measured at two locations yield approximations to the Green's functions (GFs) that describe propagation between those locations. Specifically, CFs are estimates of weighted GFs. In this paper, it is demonstrated that measured CFs in the 20-70 Hz band can be accurately modeled as weighted GFs using ambient noise data collected in the Florida Straits at ∼100 m depth with horizontal separations of 5 and 10 km. Two weighting functions are employed. These account for (1) the dipole radiation pattern produced by a near-surface source, and (2) coherence loss of surface-reflecting energy in time-averaged CFs resulting from tidal fluctuations. After describing the relationship between CFs and GFs, the inverse problem is considered and is shown to result in an environmental model for which agreement between computed and simulated CFs is good.

  7. The galaxy correlation function as a constraint on galaxy formation physics

    NASA Astrophysics Data System (ADS)

    van Daalen, Marcel P.; Henriques, Bruno M. B.; Angulo, Raul E.; White, Simon D. M.

    2016-05-01

    We introduce methods which allow observed galaxy clustering to be used together with observed luminosity or stellar mass functions to constrain the physics of galaxy formation. We show how the projected two-point correlation function of galaxies in a large semi-analytic simulation can be estimated to better than ˜10 per cent using only a very small subsample of the subhalo merger trees. This allows measured correlations to be used as constraints in a Monte Carlo Markov Chain exploration of the astrophysical and cosmological parameter space. An important part of our scheme is an analytic profile which captures the simulated satellite distribution extremely well out to several halo virial radii. This is essential to reproduce the correlation properties of the full simulation at intermediate separations. As a first application, we use low-redshift clustering and abundance measurements to constrain a recent version of the Munich semi-analytic model. The preferred values of most parameters are consistent with those found previously, with significantly improved constraints and somewhat shifted `best' values for parameters that primarily affect spatial distributions. Our methods allow multi-epoch data on galaxy clustering and abundance to be used as joint constraints on galaxy formation. This may lead to significant constraints on cosmological parameters even after marginalizing over galaxy formation physics.

  8. Modelling the angular correlation function and its full covariance in photometric galaxy surveys

    NASA Astrophysics Data System (ADS)

    Crocce, Martín; Cabré, Anna; Gaztañaga, Enrique

    2011-06-01

    Near-future cosmology will see the advent of wide-area photometric galaxy surveys, such as the Dark Energy Survey (DES), that extend to high redshifts (z˜ 1-2) but give poor radial distance resolution. In such cases splitting the data into redshift bins and using the angular correlation function w(θ), or the Cℓ power spectrum, will become the standard approach to extracting cosmological information or to studying the nature of dark energy through the baryon acoustic oscillations (BAO) probe. In this work we present a detailed model for w(θ) at large scales as a function of redshift and binwidth, including all relevant effects, namely non-linear gravitational clustering, bias, redshift space distortions and photo-z uncertainties. We also present a model for the full covariance matrix, characterizing the angular correlation measurements, that takes into account the same effects as for w(θ) and also the possibility of a shot-noise component and partial sky coverage. Provided with a large-volume N-body simulation from the MICE collaboration, we built several ensembles of mock redshift bins with a sky coverage and depth typical of forthcoming photometric surveys. The model for the angular correlation and the one for the covariance matrix agree remarkably well with the mock measurements in all configurations. The prospects for a full shape analysis of w(θ) at BAO scales in forthcoming photometric surveys such as DES are thus very encouraging.

  9. Reliability and validity of the sideways step test and its correlation with motor function after stroke

    PubMed Central

    Pang, Eva Y.F.; Fong, Shirley S.M.; Tse, Mimi M.Y.; Tam, Eric W.C.; Ng, Shamay SM; So, Billy C.L.

    2015-01-01

    [Purpose] This study investigated the intra-rater, inter-rater and test-retest reliability of the sideways step test (SST), its correlation with other indicators of stroke-specific impairment, and the cut-off count best discriminating subjects with stroke from their healthy counterparts. [Subjects and Methods] Forty-three subjects with chronic stroke and 41 healthy subjects older than 50 years participated in this study. The SST was administered along with the Fugl-Meyer motor assessment for the lower extremities (FMA-LE), the five-times sit to stand (5TSTS) test, the Berg Balance Scale (BBS), the movement velocity (MVL) by the limits of stability (LOS) test, the ten-metre walk (10mW) test, the timed “Up and Go” (TUG) test and the Activities-specific Balance Confidence (ABC) scale. [Results] The SST showed good to excellent intra-rater, inter-rater and test-retest reliability. The SST counts correlated with 5TSTS times, 10mW times, TUG times, and the FMA-LE and BBS scores. SST counts of 11 for the paretic leg and 14 for the non-paretic leg were found to distinguish the healthy adults from subjects with stroke. [Conclusion] The sideways step test is a reliable clinical test, which correlates with the functional strength, gait speed, and functional balance of people with chronic stroke. PMID:26180332

  10. Using partial correlation to enhance structural equation modeling of functional MRI data.

    PubMed

    Marrelec, Guillaume; Horwitz, Barry; Kim, Jieun; Pélégrini-Issac, Mélanie; Benali, Habib; Doyon, Julien

    2007-10-01

    In functional magnetic resonance imaging (fMRI) data analysis, effective connectivity investigates the influence that brain regions exert on one another. Structural equation modeling (SEM) has been the main approach to examine effective connectivity. In this paper, we propose a method that, given a set of regions, performs partial correlation analysis. This method provides an approach to effective connectivity that is data driven, in the sense that it does not require any prior information regarding the anatomical or functional connections. To demonstrate the practical relevance of partial correlation analysis for effective connectivity investigation, we reanalyzed data previously published [Bullmore, Horwitz, Honey, Brammer, Williams, Sharma, 2000. How good is good enough in path analysis of fMRI data? NeuroImage 11, 289-301]. Specifically, we show that partial correlation analysis can serve several purposes. In a pre-processing step, it can hint at which effective connections are structuring the interactions and which have little influence on the pattern of connectivity. As a post-processing step, it can be used both as a simple and visual way to check the validity of SEM optimization algorithms and to show which assumptions made by the model are valid, and which ones should be further modified to better fit the data.

  11. Principal Component Analysis reveals correlation of cavities evolution and functional motions in proteins.

    PubMed

    Desdouits, Nathan; Nilges, Michael; Blondel, Arnaud

    2015-02-01

    Protein conformation has been recognized as the key feature determining biological function, as it determines the position of the essential groups specifically interacting with substrates. Hence, the shape of the cavities or grooves at the protein surface appears to drive those functions. However, only a few studies describe the geometrical evolution of protein cavities during molecular dynamics simulations (MD), usually with a crude representation. To unveil the dynamics of cavity geometry evolution, we developed an approach combining cavity detection and Principal Component Analysis (PCA). This approach was applied to four systems subjected to MD (lysozyme, sperm whale myoglobin, Dengue envelope protein and EF-CaM complex). PCA on cavities allows us to perform efficient analysis and classification of the geometry diversity explored by a cavity. Additionally, it reveals correlations between the evolutions of the cavities and structures, and can even suggest how to modify the protein conformation to induce a given cavity geometry. It also helps to perform fast and consensual clustering of conformations according to cavity geometry. Finally, using this approach, we show that both carbon monoxide (CO) location and transfer among the different xenon sites of myoglobin are correlated with few cavity evolution modes of high amplitude. This correlation illustrates the link between ligand diffusion and the dynamic network of internal cavities.

  12. Density-functional theory of strongly correlated Fermi gases in elongated harmonic traps

    NASA Astrophysics Data System (ADS)

    Xianlong, Gao; Polini, Marco; Asgari, Reza; Tosi, M. P.

    2006-03-01

    Two-component Fermi gases with tunable repulsive or attractive interactions inside quasi-one-dimensional (Q1D) harmonic wells may soon become the cleanest laboratory realizations of strongly correlated Luttiger and Luther-Emery liquids under confinement. We present a microscopic Kohn-Sham density-functional theory of these systems, with specific attention to a gas on the approach to a confinement-induced Feshbach resonance. The theory employs the one-dimensional Gaudin-Yang model as the reference system and transfers the appropriate Q1D ground-state correlations to the confined inhomogeneous gas via a suitable local-density approximation to the exchange and correlation energy functional. Quantitative understanding of the role of the interactions in the bulk shell structure of the axial density profile is thereby achieved. While repulsive intercomponent interactions depress the amplitude of the shell structure of the noninteracting gas, attractive interactions stabilize atomic-density waves through spin pairing. These should be clearly observable in atomic clouds containing of the order of up to 100 atoms.

  13. Correlation lengths and topological entanglement entropies of unitary and nonunitary fractional quantum Hall wave functions.

    PubMed

    Estienne, B; Regnault, N; Bernevig, B A

    2015-05-01

    Using the newly developed matrix product state formalism for non-Abelian fractional quantum Hall (FQH) states, we address the question of whether a FQH trial wave function written as a correlation function in a nonunitary conformal field theory (CFT) can describe the bulk of a gapped FQH phase. We show that the nonunitary Gaffnian state exhibits clear signatures of a pathological behavior. As a benchmark we compute the correlation length of a Moore-Read state and find it to be finite in the thermodynamic limit. By contrast, the Gaffnian state has an infinite correlation length in (at least) the non-Abelian sector, and is therefore gapless. We also compute the topological entanglement entropy of several non-Abelian states with and without quasiholes. For the first time in the FQH effect the results are in excellent agreement in all topological sectors with the CFT prediction for unitary states. For the nonunitary Gaffnian state in finite size systems, the topological entanglement entropy seems to behave like that of the composite fermion Jain state at equal filling.

  14. Principal Component Analysis reveals correlation of cavities evolution and functional motions in proteins.

    PubMed

    Desdouits, Nathan; Nilges, Michael; Blondel, Arnaud

    2015-02-01

    Protein conformation has been recognized as the key feature determining biological function, as it determines the position of the essential groups specifically interacting with substrates. Hence, the shape of the cavities or grooves at the protein surface appears to drive those functions. However, only a few studies describe the geometrical evolution of protein cavities during molecular dynamics simulations (MD), usually with a crude representation. To unveil the dynamics of cavity geometry evolution, we developed an approach combining cavity detection and Principal Component Analysis (PCA). This approach was applied to four systems subjected to MD (lysozyme, sperm whale myoglobin, Dengue envelope protein and EF-CaM complex). PCA on cavities allows us to perform efficient analysis and classification of the geometry diversity explored by a cavity. Additionally, it reveals correlations between the evolutions of the cavities and structures, and can even suggest how to modify the protein conformation to induce a given cavity geometry. It also helps to perform fast and consensual clustering of conformations according to cavity geometry. Finally, using this approach, we show that both carbon monoxide (CO) location and transfer among the different xenon sites of myoglobin are correlated with few cavity evolution modes of high amplitude. This correlation illustrates the link between ligand diffusion and the dynamic network of internal cavities. PMID:25424655

  15. Reorganization of functional connectivity as a correlate of cognitive recovery in acquired brain injury.

    PubMed

    Castellanos, Nazareth P; Paúl, Nuria; Ordóñez, Victoria E; Demuynck, Olivier; Bajo, Ricardo; Campo, Pablo; Bilbao, Alvaro; Ortiz, Tomás; del-Pozo, Francisco; Maestú, Fernando

    2010-08-01

    Cognitive processes require a functional interaction between specialized multiple, local and remote brain regions. Although these interactions can be strongly altered by an acquired brain injury, brain plasticity allows network reorganization to be principally responsible for recovery. The present work evaluates the impact of brain injury on functional connectivity patterns. Networks were calculated from resting-state magnetoencephalographic recordings from 15 brain injured patients and 14 healthy controls by means of wavelet coherence in standard frequency bands. We compared the parameters defining the network, such as number and strength of interactions as well as their topology, in controls and patients for two conditions: following a traumatic brain injury and after a rehabilitation treatment. A loss of delta- and theta-based connectivity and conversely an increase in alpha- and beta-band-based connectivity were found. Furthermore, connectivity parameters approached controls in all frequency bands, especially in slow-wave bands. A correlation between network reorganization and cognitive recovery was found: the reduction of delta-band-based connections and the increment of those based on alpha band correlated with Verbal Fluency scores, as well as Perceptual Organization and Working Memory Indexes, respectively. Additionally, changes in connectivity values based on theta and beta bands correlated with the Patient Competency Rating Scale. The current study provides new evidence of the neurophysiological mechanisms underlying neuronal plasticity processes after brain injury, and suggests that these changes are related with observed changes at the behavioural level.

  16. Neural correlates underlying mental calculation in abacus experts: a functional magnetic resonance imaging study.

    PubMed

    Hanakawa, Takashi; Honda, Manabu; Okada, Tomohisa; Fukuyama, Hidenao; Shibasaki, Hiroshi

    2003-06-01

    Experts of abacus operation demonstrate extraordinary ability in mental calculation. There is psychological evidence that abacus experts utilize a mental image of an abacus to remember and manipulate large numbers in solving problems; however, the neural correlates underlying this expertise are unknown. Using functional magnetic resonance imaging, we compared the neural correlates associated with three mental-operation tasks (numeral, spatial, verbal) among six experts in abacus operations and eight nonexperts. In general, there was more involvement of neural correlates for visuospatial processing (e.g., right premotor and parietal areas) for abacus experts during the numeral mental-operation task. Activity of these areas and the fusiform cortex was correlated with the size of numerals used in the numeral mental-operation task. Particularly, the posterior superior parietal cortex revealed significantly enhanced activity for experts compared with controls during the numeral mental-operation task. Comparison with the other mental-operation tasks indicated that activity in the posterior superior parietal cortex was relatively specific to computation in 2-dimensional space. In conclusion, mental calculation of abacus experts is likely associated with enhanced involvement of the neural resources for visuospatial information processing in 2-dimensional space.

  17. Correlates of Executive Functions in Multiple Sclerosis Based on Structural and Functional MR Imaging: Insights from a Multicenter Study.

    PubMed

    Koini, Marisa; Filippi, Massimo; Rocca, Maria A; Yousry, Tarek; Ciccarelli, Olga; Tedeschi, Gioacchino; Gallo, Antonio; Ropele, Stefan; Valsasina, Paola; Riccitelli, Gianna; Damjanovic, Dusan; Muhlert, Nils; Mancini, Laura; Fazekas, Franz; Enzinger, Christian

    2016-09-01

    Purpose To study the concomitant use of structural and functional magnetic resonance (MR) imaging correlates to explain information processing speed (IPS) and executive function (EF) in multiple sclerosis (MS). Materials and Methods Local ethics committee approval was obtained at all sites for this prospective, multicenter study. All subjects provided written informed consent. Twenty-six patients with relapsing-remitting MS and 32 healthy control subjects from four centers underwent structural and functional MR imaging, including a go/no-go task and neuropsychological assessment. Subtests of the Brief Repeatable Battery of Neuropsychological Tests, the Wisconsin Card Sorting Test, and the performance with the functional MR imaging paradigm were used as estimates of IPS and EF. Activation of the thalamus and the inferior frontal gyrus (pars triangularis), thalamic volume, T2 lesion load, and age were used to explain IPS and EF in regression models. Results Compared with control subjects, patients showed increased activation in a frontoparietal network, including both thalami, during the execution of the go/no-go task. Patients had decreased thalamic volume (P < .001). Among tested variables, thalamic volume (β = 0.606, P = .001), together with thalamic activation (β = -0.410, P = .022), were the best predictors of IPS and EF and helped explain 52.7% of the variance in IPS and EF. Conclusion This study highlights the potential of the combined use of functional and morphologic parameters to explain IPS and EF in patients with relapsing-remitting MS and confirms the central role of the thalamus as a relay station in executive functioning. (©) RSNA, 2016. PMID:27002420

  18. Correlates of Executive Functions in Multiple Sclerosis Based on Structural and Functional MR Imaging: Insights from a Multicenter Study.

    PubMed

    Koini, Marisa; Filippi, Massimo; Rocca, Maria A; Yousry, Tarek; Ciccarelli, Olga; Tedeschi, Gioacchino; Gallo, Antonio; Ropele, Stefan; Valsasina, Paola; Riccitelli, Gianna; Damjanovic, Dusan; Muhlert, Nils; Mancini, Laura; Fazekas, Franz; Enzinger, Christian

    2016-09-01

    Purpose To study the concomitant use of structural and functional magnetic resonance (MR) imaging correlates to explain information processing speed (IPS) and executive function (EF) in multiple sclerosis (MS). Materials and Methods Local ethics committee approval was obtained at all sites for this prospective, multicenter study. All subjects provided written informed consent. Twenty-six patients with relapsing-remitting MS and 32 healthy control subjects from four centers underwent structural and functional MR imaging, including a go/no-go task and neuropsychological assessment. Subtests of the Brief Repeatable Battery of Neuropsychological Tests, the Wisconsin Card Sorting Test, and the performance with the functional MR imaging paradigm were used as estimates of IPS and EF. Activation of the thalamus and the inferior frontal gyrus (pars triangularis), thalamic volume, T2 lesion load, and age were used to explain IPS and EF in regression models. Results Compared with control subjects, patients showed increased activation in a frontoparietal network, including both thalami, during the execution of the go/no-go task. Patients had decreased thalamic volume (P < .001). Among tested variables, thalamic volume (β = 0.606, P = .001), together with thalamic activation (β = -0.410, P = .022), were the best predictors of IPS and EF and helped explain 52.7% of the variance in IPS and EF. Conclusion This study highlights the potential of the combined use of functional and morphologic parameters to explain IPS and EF in patients with relapsing-remitting MS and confirms the central role of the thalamus as a relay station in executive functioning. (©) RSNA, 2016.

  19. [Correlations between placental morphological and functional parameters and neonatal status after normal full-term, prolonged pregnancy, and truly protracted pregnancy].

    PubMed

    Milovanov, A P; Fedorova, M V

    2011-01-01

    To solve the problem of differentiating protracted pregnancy, a special morphometric study was undertaken to examine three placental groups: 1) after normal full-term pregnancy (n = 35); 2) after prolonged pregnancy (n = 40); 3) after truly protracted pregnancy with partial or complete Clifford's syndrome (n = 30). A semiquantitative score (14 most important placental indicators), placenta and birth weights, Apgar scores, the infant's weight and height at the end of the first year of life were used so as to estimate the mild, moderate, and severe degree at 0.5, 1.5, and 3 points, respectively. One hundred and twenty-six possible pairs of structural and functional parameters were made up in all the groups. Pearson's correlation coefficient (r > 0.4) was applied to graphically display the pairs. Normal full-term pregnancy was characterized by few positive correlations mainly between the terminal villi and weight-height indices without associations with the Apgar scale. Prolonged pregnancy with the multiple placental tissue structural parameters along with organometric indices being involved was intermediate. The total scores permitted grades 1 and 2 chronic placental insufficiency (CPI) to be diagnosed in 27.5 and 2.5%, respectively. The severest form was truly protracted pregnancy that was distinguished by the maximum positive and negative correlations between all the parameters and the highest rate of diagnosis of CPI of grades 1 (45%) and 2 (15%). The findings strongly suggest that it is essential to identify prolonged and truly protracted pregnancy as important risk factors, by following up the infants for a year.

  20. The neuronal correlates of intranasal trigeminal function-an ALE meta-analysis of human functional brain imaging data.

    PubMed

    Albrecht, Jessica; Kopietz, Rainer; Frasnelli, Johannes; Wiesmann, Martin; Hummel, Thomas; Lundström, Johan N

    2010-03-01

    Almost every odor we encounter in daily life has the capacity to produce a trigeminal sensation. Surprisingly, few functional imaging studies exploring human neuronal correlates of intranasal trigeminal function exist, and results are to some degree inconsistent. We utilized activation likelihood estimation (ALE), a quantitative voxel-based meta-analysis tool, to analyze functional imaging data (fMRI/PET) following intranasal trigeminal stimulation with carbon dioxide (CO(2)), a stimulus known to exclusively activate the trigeminal system. Meta-analysis tools are able to identify activations common across studies, thereby enabling activation mapping with higher certainty. Activation foci of nine studies utilizing trigeminal stimulation were included in the meta-analysis. We found significant ALE scores, thus indicating consistent activation across studies, in the brainstem, ventrolateral posterior thalamic nucleus, anterior cingulate cortex, insula, precentral gyrus, as well as in primary and secondary somatosensory cortices-a network known for the processing of intranasal nociceptive stimuli. Significant ALE values were also observed in the piriform cortex, insula, and the orbitofrontal cortex, areas known to process chemosensory stimuli, and in association cortices. Additionally, the trigeminal ALE statistics were directly compared with ALE statistics originating from olfactory stimulation, demonstrating considerable overlap in activation. In conclusion, the results of this meta-analysis map the human neuronal correlates of intranasal trigeminal stimulation with high statistical certainty and demonstrate that the cortical areas recruited during the processing of intranasal CO(2) stimuli include those outside traditional trigeminal areas. Moreover, through illustrations of the considerable overlap between brain areas that process trigeminal and olfactory information; these results demonstrate the interconnectivity of flavor processing.

  1. A consistent description of the iron dimer spectrum with a correlated single-determinant wave function

    NASA Astrophysics Data System (ADS)

    Casula, Michele; Marchi, Mariapia; Azadi, Sam; Sorella, Sandro

    2009-08-01

    We study the iron dimer by using an accurate ansatz for quantum chemical calculations based on a simple variational wave function, defined by a single geminal expanded in molecular orbitals and combined with a real space correlation factor. By means of this approach we predict that, contrary to previous expectations, the neutral ground state is 7Δ while the ground state of the anion is 8Σg-, hence explaining in a simple way a long standing controversy in the interpretation of the experiments. Moreover, we characterize consistently the states seen in the photoemission spectroscopy by Leopold and Lineberger [D.G. Leopold, W.C. Lineberger, J. Chem. Phys. 85 (1) (1986) 51]. It is shown that the non-dynamical correlations included in the geminal expansion are relevant to correctly reproduce the energy ordering of the low-lying spin states.

  2. Executive cognitive function as a correlate and predictor of child food intake and physical activity.

    PubMed

    Riggs, Nathaniel; Chou, Chih-Ping; Spruijt-Metz, Donna; Pentz, Mary Ann

    2010-01-01

    Investigated were relations among executive cognitive function (ECF), food intake, and physical activity in 184, fourth grade children. It was hypothesized that self-reported ECF proficiency would predict greater self-reported fruit/vegetable intake and physical activity, but less "snack food" intake. Structural models demonstrated that ECF was significantly correlated with less concurrent snack food intake and greater concurrent fruit/vegetable intake, but not physical activity. Baseline ECF also significantly predicted greater fruit/vegetable intake and physical activity four months later, but not snack food intake. One implication is to promote ECF as a correlate and predictor of food intake and physical activity in children by providing opportunities for youth to practice newly developing ECF capacities.

  3. CT densitovolumetry in children with obliterative bronchiolitis: correlation with clinical scores and pulmonary function test results*,**

    PubMed Central

    Mocelin, Helena; Bueno, Gilberto; Irion, Klaus; Marchiori, Edson; Sarria, Edgar; Watte, Guilherme; Hochhegger, Bruno

    2013-01-01

    OBJECTIVE: To determine whether air trapping (expressed as the percentage of air trapping relative to total lung volume [AT%]) correlates with clinical and functional parameters in children with obliterative bronchiolitis (OB). METHODS: CT scans of 19 children with OB were post-processed for AT% quantification with the use of a fixed threshold of −950 HU (AT%950) and of thresholds selected with the aid of density masks (AT%DM). Patients were divided into three groups by AT% severity. We examined AT% correlations with oxygen saturation (SO2) at rest, six-minute walk distance (6MWD), minimum SO2 during the six-minute walk test (6MWT_SO2), FVC, FEV1, FEV1/FVC, and clinical parameters. RESULTS: The 6MWD was longer in the patients with larger normal lung volumes (r = 0.53). We found that AT%950 showed significant correlations (before and after the exclusion of outliers, respectively) with the clinical score (r = 0.72; 0.80), FVC (r = 0.24; 0.59), FEV1 (r = −0.58; −0.67), and FEV1/FVC (r = −0.53; r = −0.62), as did AT%DM with the clinical score (r = 0.58; r = 0.63), SO2 at rest (r = −0.40; r = −0.61), 6MWT_SO2 (r = −0.24; r = −0.55), FVC (r = −0.44; r = −0.80), FEV1 (r = −0.65; r = −0.71), and FEV1/FVC (r = −0.41; r = −0.52). CONCLUSIONS: Our results show that AT% correlates significantly with clinical scores and pulmonary function test results in children with OB. PMID:24473764

  4. Do changes in hand grip strength correlate with shoulder rotator cuff function?

    PubMed Central

    Herrington, Lee; Hoyle, Rebecca; Prescott, Evie; Bellamy, Nathan

    2016-01-01

    Background Shoulder pain as a result of rotator cuff pathology is one of the most common musculoskeletal complaints presenting within primary care. Assessment of hand grip strength has been proposed as an indicator of rotator cuff function. This experimental study assessed the relationship between grip strength and shoulder lateral rotator muscle strength in a number of different shoulder positions, aiming to investigate whether such a relationship existed and whether grip strength could be used as a functional assessment tool for the posterior cuff. Methods Twenty-seven healthy, physically active, volunteers (19 males, eight females) with no history of shoulder, upper limb or neck injury comprised the study group. The mean (SD) age was 19.8 (5.7) years (range 18 years to 23 years). Grip strength (measured with hand grip dynamometer) and lateral rotator strength (measured with a hand held dynamometer) was measured at neutral, 90° abduction, and 90° abduction with 90° external rotation. Results The correlation between grip strength and shoulder lateral rotation strength ranged between r = 0.91 (r2 = 0.84) and r = 0.72 (r2 = 0.52) across all positions. Conclusions A strong correlation between grip strength and lateral rotator strength was shown at all positions for both left and right hands, suggesting that assessment of grip strength could be used as a rotator cuff monitor of recruitment function. PMID:27583010

  5. Evaluation of sliding window correlation performance for characterizing dynamic functional connectivity and brain states.

    PubMed

    Shakil, Sadia; Lee, Chin-Hui; Keilholz, Shella Dawn

    2016-06-01

    A promising recent development in the study of brain function is the dynamic analysis of resting-state functional MRI scans, which can enhance understanding of normal cognition and alterations that result from brain disorders. One widely used method of capturing the dynamics of functional connectivity is sliding window correlation (SWC). However, in the absence of a "gold standard" for comparison, evaluating the performance of the SWC in typical resting-state data is challenging. This study uses simulated networks (SNs) with known transitions to examine the effects of parameters such as window length, window offset, window type, noise, filtering, and sampling rate on the SWC performance. The SWC time course was calculated for all node pairs of each SN and then clustered using the k-means algorithm to determine how resulting brain states match known configurations and transitions in the SNs. The outcomes show that the detection of state transitions and durations in the SWC is most strongly influenced by the window length and offset, followed by noise and filtering parameters. The effect of the image sampling rate was relatively insignificant. Tapered windows provide less sensitivity to state transitions than rectangular windows, which could be the result of the sharp transitions in the SNs. Overall, the SWC gave poor estimates of correlation for each brain state. Clustering based on the SWC time course did not reliably reflect the underlying state transitions unless the window length was comparable to the state duration, highlighting the need for new adaptive window analysis techniques. PMID:26952197

  6. Correlation functions for fully or partially state-resolved reactive scattering calculations

    SciTech Connect

    Manthe, Uwe Welsch, Ralph

    2014-06-28

    Flux correlation functions and the quantum transition state concept are important tools for the accurate description of polyatomic reaction processes. Combined with the multi-configurational time-dependent Hartree approach, they facilitate rigorous full-dimensional calculations of cumulative and initial-state selected reaction probabilities for six atom reactions. In recent work [R. Welsch, F. Huarte-Larrañaga, and U. Manthe, J. Chem. Phys. 136, 064117 (2012)], an approach which allows one to calculate also state-to-state reaction probabilities within the quantum transition state concept has been introduced. This article presents further developments. Alternative generalized flux correlation functions are introduced and discussed. Equations for the calculation of fully state-resolved differential cross section using arbitrary definitions of the body fixed frame are derived. An approach for the efficient calculation of partially state-resolved observables as a function of the collision energy is introduced. Finally, numerical test studying the D + H{sub 2} reaction illustrate important aspects of the formalism.

  7. Correlation between ambulatory function and clinical factors in hemiplegic patients with intact single lateral corticospinal tract

    PubMed Central

    Hong, Ji Seong; Kim, Jong Moon; Kim, Hyoung Seop

    2016-01-01

    Abstract To define the relationship between the complete destruction of 1 lateral corticospinal tract (CST), as demonstrated by diffusion tensor imaging (DTI) tractography, and ambulatory function 6 months following stroke. Twenty-six adults (17 male, 9 female) with poststroke hemiplegia who were transferred to the physical medicine and rehabilitation department. Participants underwent DTI tractography, which showed that 1 lateral CST had been clearly destroyed. Functional ambulation classification (FAC) scores at admission, discharge, and 6 months after discharge were used to evaluate the patients’ ability to walk. The National Institutes of Health Stroke Scale (NIHSS) and the Korean version of the modified Barthel index (K-MBI) at admission, discharge, and 6 months after discharge were used to evaluate the degree of functional recovery. Of the 26 patients, 18 were nonambulatory (FAC level 1–3), and 8 were able to walk without support (FAC level 4–6). The type of stroke (infarction or hemorrhage), site of the lesion, spasticity of lower extremities, cranioplasty, and the time taken from onset to MRI were not statistically significantly correlated with the ability to walk. However, statistically significant correlations were found in relation to age, K-MBI scores, and initial NIHSS scores. Despite the complete damage to the lesion site and the preservation of 1 unilateral CST, as shown by DTI, good outcomes can be predicted on the basis of younger age, low NIHSS scores, and high MBI scores at onset. PMID:27495041

  8. Functional classifications for cerebral palsy: correlations between the gross motor function classification system (GMFCS), the manual ability classification system (MACS) and the communication function classification system (CFCS).

    PubMed

    Compagnone, Eliana; Maniglio, Jlenia; Camposeo, Serena; Vespino, Teresa; Losito, Luciana; De Rinaldis, Marta; Gennaro, Leonarda; Trabacca, Antonio

    2014-11-01

    This study aimed to investigate a possible correlation between the gross motor function classification system-expanded and revised (GMFCS-E&R), the manual abilities classification system (MACS) and the communication function classification system (CFCS) functional levels in children with cerebral palsy (CP) by CP subtype. It was also geared to verify whether there is a correlation between these classification systems and intellectual functioning (IF) and parental socio-economic status (SES). A total of 87 children (47 males and 40 females, age range 4-18 years, mean age 8.9±4.2) were included in the study. A strong correlation was found between the three classifications: Level V of the GMFCS-E&R corresponds to Level V of the MACS (rs=0.67, p=0.001); the same relationship was found for the CFCS and the MACS (rs=0.73, p<0.001) and for the GMFCS-E&R and the CFCS (rs=0.61, p=0.001). The correlations between the IQ and the global functional disability profile were strong or moderate (GMFCS and IQ: rs=0.66, p=0.001; MACS and IQ: rs=0.58, p=0.001; CFCS and MACS: rs=0.65, p=0.001). The Kruskal-Wallis test was used to determine if there were differences between the GMFCS-E&R, the CFCS and the MACS by CP type. CP types showed different scores for the IQ level (Chi-square=8.59, df=2, p=0.014), the GMFCS-E&R (Chi-square=36.46, df=2, p<0.001), the CFCS (Chi-square=12.87, df=2, p=0.002), and the MACS Level (Chi-square=13.96, df=2, p<0.001) but no significant differences emerged for the SES (Chi-square=1.19, df=2, p=0.554). This study shows how the three functional classifications (GMFCS-E&R, CFCS and MACS) complement each other to provide a better description of the functional profile of CP. The systematic evaluation of the IQ can provide useful information about a possible future outcome for every functional level. The SES does not appear to affect functional profiles.

  9. Shear wave elastography results correlate with liver fibrosis histology and liver function reserve

    PubMed Central

    Feng, Yan-Hong; Hu, Xiang-Dong; Zhai, Lin; Liu, Ji-Bin; Qiu, Lan-Yan; Zu, Yuan; Liang, Si; Gui, Yu; Qian, Lin-Xue

    2016-01-01

    AIM: To evaluate the correlation of shear wave elastography (SWE) results with liver fibrosis histology and quantitative function reserve. METHODS: Weekly subcutaneous injection of 60% carbon tetrachloride (1.5 mL/kg) was given to 12 canines for 24 wk to induce experimental liver fibrosis, with olive oil given to 2 control canines. At 24 wk, liver condition was evaluated using clinical biochemistry assays, SWE imaging, lidocaine metabolite monoethylglycine-xylidide (MEGX) test, and histologic fibrosis grading. Clinical biochemistry assays were performed at the institutional central laboratory for routine liver function evaluation. Liver stiffness was measured in triplicate from three different intercostal spaces and expressed as mean liver stiffness modulus (LSM). Plasma concentrations of lidocaine and its metabolite MEGX were determined using high-performance liquid chromatography repeated in duplicate. Liver biopsy samples were fixed in 10% formaldehyde, and liver fibrosis was graded using the modified histological activity index Knodell score (F0-F4). Correlations among histologic grading, LSM, and MEGX measures were analyzed with the Pearson linear correlation coefficient. RESULTS: At 24 wk liver fibrosis histologic grading was as follows: F0, n = 2 (control); F1, n = 0; F2, n = 3; F3, n = 7; and F4, n = 2. SWE LSM was positively correlated with histologic grading (r = 0.835, P < 0.001). Specifically, the F4 group had a significantly higher elastic modulus than the F3, F2, and F0 groups (P = 0.002, P = 0.003, and P = 0.006, respectively), and the F3 group also had a significantly higher modulus than the control F0 group (P = 0.039). LSM was negatively associated with plasma MEGX concentrations at 30 min (r = -0.642; P = 0.013) and 60 min (r = -0.651; P = 0.012), time to ½ of the maximum concentration (r = -0.538; P = 0.047), and the area under the curve (r = -0.636; P = 0.014). Multiple comparisons showed identical differences in these three measures

  10. Real time correlation function in a single phase spaceintegral--beyond the linearized semiclassical initial valuerepresentation

    SciTech Connect

    Liu, Jian; Miller, William H.

    2007-07-10

    It is shown how quantum mechanical time correlation functions [defined, e.g., in Eq. (1.1)] can be expressed, without approximation, in the same form as the linearized approximation of the semiclassical initial value representation (LSC-IVR), or classical Wigner model, for the correlation function [cf. Eq. (2.1)], i.e., as a phase space average (over initial conditions for trajectories) of the Wigner functions corresponding to the two operators. The difference is that the trajectories involved in the LSC-IVR evolve classically, i.e., according to the classical equations of motion, while in the exact theory they evolve according to generalized equations of motion that are derived here. Approximations to the exact equations of motion are then introduced to achieve practical methods that are applicable to complex (i.e., large) molecular systems. Four such methods are proposed in the paper--the full Wigner dynamics (full WD) and the 2nd order WD based on 'Winger trajectories', and the full Donoso-Martens dynamics (full DMD) and the 2nd order DMD based on 'Donoso-Martens trajectories'--all of which can be viewed as generalizations of the original LSC-IVR method. Numerical tests of these four versions of this new approach are made for two anharmonic model problems, and for each the momentum autocorrelation function (i.e., operators linear in coordinate or momentum operators) and the force autocorrelation function (non-linear operators) have been calculated. These four new approximate treatments are indeed seen to be significant improvements to the original LSC-IVR approximation.

  11. Correlation of macro and micro cardiovascular function during weightlessness and simulated weightlessness.

    PubMed

    Hutchins, P M; Marshburn, T H; Smith, T L; Osborne, S W; Lynch, C D; Moultsby, S J

    1988-01-01

    The investigation of cardiovascular function necessarily involves a consideration of the exchange of substances at the capillary. If cardiovascular function is compromised or in any way altered during exposure to zero gravity in space, then it stands to reason that microvascular function is also modified. We have shown that an increase in cardiac output similar to that reported during simulated weightlessness is associated with a doubling of the number of post-capillary venules and a reduction in the number of arterioles by 35%. If the weightlessness of space travel produces similar changes in cardiopulmonary volume and cardiac output, a reasonable expectation is that astronauts will undergo venous neovascularization. We have developed an animal model in which to correlate microvascular and systemic cardiovascular function. The microcirculatory preparation consists of a lightweight, thermo-neutral chamber implanted around intact skeletal muscle on the back of a rat. Using this technique, the performed microvasculature of the cutaneous maximus muscle may be observed in the conscious, unanesthetized animal. Microcirculatory variables which may be obtained include venular and arteriolar numbers, lengths and diameters, single vessel flow velocities, vasomotion, capillary hematocrit anastomoses and orders of branching. Systemic hemodynamic monitoring of cardiac output by electromagnetic flowmetry, and arterial and venous pressures allows correlation of macro- and microcirculatory changes at the same time, in the same animal. Observed and calculated hemodynamic variables also include pulse pressure, heart rate, stroke volume, total peripheral resistance, aortic compliance, minute work, peak aortic flow velocity and systolic time interval. In this manner, an integrated assessment of total cardiovascular function may be obtained in the same animal without the complicating influence of anesthetics.

  12. Correlation of macro and micro cardiovascular function during weightlessness and simulated weightlessness

    NASA Technical Reports Server (NTRS)

    Hutchins, P. M.; Marshburn, T. H.; Smith, T. L.; Osborne, S. W.; Lynch, C. D.; Moultsby, S. J.

    1988-01-01

    The investigation of cardiovascular function necessarily involves a consideration of the exchange of substances at the capillary. If cardiovascular function is compromised or in any way altered during exposure to zero gravity in space, then it stands to reason that microvascular function is also modified. We have shown that an increase in cardiac output similar to that reported during simulated weightlessness is associated with a doubling of the number of post-capillary venules and a reduction in the number of arterioles by 35%. If the weightlessness of space travel produces similar changes in cardiopulmonary volume and cardiac output, a reasonable expectation is that astronauts will undergo venous neovascularization. We have developed an animal model in which to correlate microvascular and systemic cardiovascular function. The microcirculatory preparation consists of a lightweight, thermo-neutral chamber implanted around intact skeletal muscle on the back of a rat. Using this technique, the performed microvasculature of the cutaneous maximus muscle may be observed in the conscious, unanesthetized animal. Microcirculatory variables which may be obtained include venular and arteriolar numbers, lengths and diameters, single vessel flow velocities, vasomotion, capillary hematocrit anastomoses and orders of branching. Systemic hemodynamic monitoring of cardiac output by electromagnetic flowmetry, and arterial and venous pressures allows correlation of macro- and microcirculatory changes at the same time, in the same animal. Observed and calculated hemodynamic variables also include pulse pressure, heart rate, stroke volume, total peripheral resistance, aortic compliance, minute work, peak aortic flow velocity and systolic time interval. In this manner, an integrated assessment of total cardiovascular function may be obtained in the same animal without the complicating influence of anesthetics.

  13. Can sliding-window correlations reveal dynamic functional connectivity in resting-state fMRI?

    PubMed Central

    Hindriks, R.; Adhikari, M.H.; Murayama, Y.; Ganzetti, M.; Mantini, D.; Logothetis, N.K.; Deco, G.

    2016-01-01

    During the last several years, the focus of research on resting-state functional magnetic resonance imaging (fMRI) has shifted from the analysis of functional connectivity averaged over the duration of scanning sessions to the analysis of changes of functional connectivity within sessions. Although several studies have reported the presence of dynamic functional connectivity (dFC), statistical assessment of the results is not always carried out in a sound way and, in some studies, is even omitted. In this study, we explain why appropriate statistical tests are needed to detect dFC, we describe how they can be carried out and how to assess the performance of dFC measures, and we illustrate the methodology using spontaneous blood-oxygen level-dependent (BOLD) fMRI recordings of macaque monkeys under general anesthesia and in human subjects under resting-state conditions. We mainly focus on sliding-window correlations since these are most widely used in assessing dFC, but also consider a recently proposed non-linear measure. The simulations and methodology, however, are general and can be applied to any measure. The results are twofold. First, through simulations, we show that in typical resting-state sessions of 10 min, it is almost impossible to detect dFC using sliding-window correlations. This prediction is validated by both the macaque and the human data: in none of the individual recording sessions was evidence for dFC found. Second, detection power can be considerably increased by session- or subject-averaging of the measures. In doing so, we found that most of the functional connections are in fact dynamic. With this study, we hope to raise awareness of the statistical pitfalls in the assessment of dFC and how they can be avoided by using appropriate statistical methods. PMID:26631813

  14. Ecogenomic Perspectives on Domains of Unknown Function: Correlation-Based Exploration of Marine Metagenomes

    PubMed Central

    Buttigieg, Pier Luigi; Hankeln, Wolfgang; Kostadinov, Ivaylo; Kottmann, Renzo; Yilmaz, Pelin; Duhaime, Melissa Beth; Glöckner, Frank Oliver

    2013-01-01

    Background The proportion of conserved DNA sequences with no clear function is steadily growing in bioinformatics databases. Studies of sequence and structural homology have indicated that many uncharacterized protein domain sequences are variants of functionally described domains. If these variants promote an organism's ecological fitness, they are likely to be conserved in the genome of its progeny and the population at large. The genetic composition of microbial communities in their native ecosystems is accessible through metagenomics. We hypothesize the co-variation of protein domain sequences across metagenomes from similar ecosystems will provide insights into their potential roles and aid further investigation. Methodology/Principal findings We calculated the correlation of Pfam protein domain sequences across the Global Ocean Sampling metagenome collection, employing conservative detection and correlation thresholds to limit results to well-supported hits and associations. We then examined intercorrelations between domains of unknown function (DUFs) and domains involved in known metabolic pathways using network visualization and cluster-detection tools. We used a cautious “guilty-by-association” approach, referencing knowledge-level resources to identify and discuss associations that offer insight into DUF function. We observed numerous DUFs associated to photobiologically active domains and prevalent in the Cyanobacteria. Other clusters included DUFs associated with DNA maintenance and repair, inorganic nutrient metabolism, and sodium-translocating transport domains. We also observed a number of clusters reflecting known metabolic associations and cases that predicted functional reclassification of DUFs. Conclusion/Significance Critically examining domain covariation across metagenomic datasets can grant new perspectives on the roles and associations of DUFs in an ecological setting. Targeted attempts at DUF characterization in the laboratory or in

  15. Correlation between SD-OCT, immunocytochemistry and functional findings in an animal model of retinal degeneration

    PubMed Central

    Cuenca, Nicolás; Fernández-Sánchez, Laura; Sauvé, Yves; Segura, Francisco J.; Martínez-Navarrete, Gema; Tamarit, José Manuel; Fuentes-Broto, Lorena; Sanchez-Cano, Ana; Pinilla, Isabel

    2014-01-01

    Purpose: The P23H rhodopsin mutation is an autosomal dominant cause of retinitis pigmentosa (RP). The degeneration can be tracked using different anatomical and functional methods. In our case, we evaluated the anatomical changes using Spectral-Domain Optical Coherence Tomography (SD-OCT) and correlated the findings with retinal thickness values determined by immunocytochemistry.Methods: Pigmented rats heterozygous for the P23H mutation, with ages between P18 and P180 were studied. Function was assessed by means of optomotor testing and ERGs. Retinal thicknesses measurements, autofluorescence and fluorescein angiography were performed using Spectralis OCT. Retinas were studied by means of immunohistochemistry. Results: Between P30 and P180, visual acuity decreased from 0.500 to 0.182 cycles per degree (cyc/deg) and contrast sensitivity decreased from 54.56 to 2.98 for a spatial frequency of 0.089 cyc/deg. Only cone-driven b-wave responses reached developmental maturity. Flicker fusions were also comparable at P29 (42 Hz). Double flash-isolated rod-driven responses were already affected at P29. Photopic responses revealed deterioration after P29.A reduction in retinal thicknesses and morphological modifications were seen in OCT sections. Statistically significant differences were found in all evaluated thicknesses. Autofluorescence was seen in P23H rats as sparse dots. Immunocytochemistry showed a progressive decrease in the outer nuclear layer (ONL), and morphological changes. Although anatomical thickness measures were significantly lower than OCT values, there was a very strong correlation between the values measured by both techniques.Conclusions: In pigmented P23H rats, a progressive deterioration occurs in both retinal function and anatomy. Anatomical changes can be effectively evaluated using SD-OCT and immunocytochemistry, with a good correlation between their values, thus making SD-OCT an important tool for research in retinal degeneration. PMID:25565976

  16. Differentiating Nonrestorative Sleep from Nocturnal Insomnia Symptoms: Demographic, Clinical, Inflammatory, and Functional Correlates

    PubMed Central

    Zhang, Jihui; Lamers, Femke; Hickie, Ian B.; He, Jian-Ping; Feig, Emily; Merikangas, Kathleen R.

    2013-01-01

    Study Objectives: Recent studies have suggested that nonrestorative sleep (NRS) symptoms may be distinct from nocturnal insomnia symptoms (NIS). However, there is limited information on the demographic, medical, and biologic correlates of NRS independent from NIS in the general population. This report presents the sociodemographic correlates, patterns of comorbidity with other sleep and physical disorders, C-reactive protein (CRP) levels, and general productivity associated with NIS and NRS in a nationally representative sample of US adults. Design: National Health and Nutrition Examination Survey (NHANES). Setting: The 2005-2008 surveys of the general population in the United States. Participants: There were 10,908 individuals (20 years or older) Interventions: N/A. Measurements and Results: Respondents were classified by the presence or absence of NIS and NRS. Compared with those without insomnia symptoms, respondents with NIS were older and had lower family income and educational levels than those with NRS. In addition, there was a significant association between NIS and cardiovascular disease, whereas NRS was associated with other primary sleep disorders (including habitual snoring, sleep apnea, and restless legs syndrome), respiratory diseases (emphysema and chronic bronchitis), thyroid disease, and cancer as well as increased CRP levels. In addition, the study participants with NRS only reported poorer scores on the Functional Outcomes of Sleep Questionnaire (FOSQ) than those without insomnia symptoms or those with NIS only. Conclusions: These findings suggest that there are substantial differences between NIS and NRS in terms of sociodemographic factors, comorbidity with other sleep and physical disorders, increased CRP level, and functional impairment. An inflammatory response might play a unique role in the pathogenesis of NRS. Citation: Zhang J; Lamers F; Hickie IB; He JP; Feig E; Merikangas KR. Differentiating nonrestorative sleep from nocturnal insomnia

  17. Acetyl-L-Carnitine Treatment Following Spinal Cord Injury Improves Mitochondrial Function Correlated with Remarkable Tissue Sparing and Functional Recovery

    PubMed Central

    Patel, Samir P.; Sullivan, Patrick G.; Lyttle, Travis S.; Magnuson, David S. K.; Rabchevsky, Alexander G.

    2012-01-01

    We have recently documented that treatment with the alternative biofuel, acetyl-l-carnitine (ALC, 300 mg/kg), as late as 1 hr after T10 contusion spinal cord injury (SCI), significantly maintained mitochondrial function 24 hrs after injury. Here we report that following more severe contusion SCI centered on the L1/L2 segments that are postulated to contain lamina X neurons critical for locomotion (the “central pattern generator”), ALC treatment resulted in significant improvements in acute mitochondrial bioenergetics and long-term hindlimb function. While control-injured rats were only able to achieve slight movements of hindlimb joints, ALC-treated animals produced consistent weight-supported plantar steps one month after injury. Such landmark behavioral improvements were significantly correlated with increased tissue sparing of both gray and white matter proximal to the injury, as well as preservation of choline acetyltransferase (ChAT)-positive neurons in lamina X rostral to the injury site. These findings signify that functional improvements with ALC treatment are mediated, in part, by preserved locomotor circuitry rostral to upper lumbar contusion SCI. Based on beneficial effects of ALC on mitochondrial bioenergetics after injury, our collective evidence demonstrate that preventing mitochondrial dysfunction acutely “promotes” neuroprotection that may be associated with the milestone recovery of plantar, weight-supported stepping. PMID:22445934

  18. Contact pair correlation functions of binary mixtures of additive hard spheres from the virial expansion

    NASA Astrophysics Data System (ADS)

    Barrio, C.; Solana, J. R.

    2003-08-01

    Density expansions of the contact pair correlation functions for binary mixtures of additive hard spheres are obtained from the virial expansion of the equation of state. The procedure is based on the use consistency conditions. The resulting expansions are exact up to first order in the density. This corresponds to the third virial coefficient which is exactly known for these mixtures. Analytical expressions for the second and third order terms are obtained on the basis of very accurate approximate analytical expressions for the fourth and fifth virial coefficients. It is found that the series converge slowly, but the convergency can be accelerated by means of a resummation procedure.

  19. Contact pair correlation functions and equation of state for additive hard disk fluid mixtures

    NASA Astrophysics Data System (ADS)

    Barrio, C.; Solana, J. R.

    2001-10-01

    The contact pair correlation functions and the equation of state for a binary mixture of additive hard disks is obtained using a procedure similar to that leading to the Boublı´k-Mansoori-Carnahan-Starling-Leland equation of state for mixtures of additive hard spheres. The results from the derived equations are tested against new Monte Carlo data obtained for several diameter ratios and mole fractions. The overall agreement is excellent. The equation of state reproduces exactly the second virial coefficient of the mixture and the third with great accuracy. Predicted values of the fourth and fifth virial coefficients are also in very good agreement with numerical data.

  20. Exact relation with two-point correlation functions and phenomenological approach for compressible magnetohydrodynamic turbulence.

    PubMed

    Banerjee, Supratik; Galtier, Sébastien

    2013-01-01

    Compressible isothermal magnetohydrodynamic turbulence is analyzed under the assumption of statistical homogeneity and in the asymptotic limit of large kinetic and magnetic Reynolds numbers. Following Kolmogorov we derive an exact relation for some two-point correlation functions which generalizes the expression recently found for hydrodynamics. We show that the magnetic field brings new source and flux terms into the dynamics which may act on the inertial range similarly as a source or a sink for the mean energy transfer rate. The introduction of a uniform magnetic field simplifies significantly the exact relation for which a simple phenomenology may be given. A prediction for axisymmetric energy spectra is eventually proposed.

  1. Passive localization in the deep ocean based on cross-correlation function matching.

    PubMed

    Lei, Zhixiong; Yang, Kunde; Ma, Yuanliang

    2016-06-01

    Passive localization of a sound source in the deep ocean is investigated in this study. The source can be localized by taking advantage of a cross-correlation function matching technique. When a two-sensor vertical array is used in the deep ocean, two types of side lobe curves appear in the ambiguity surface of the localization. The side lobe curves are analytically expressed and they are then used as indicators of the localization result instead of the scanning point with the maximum power. Simulation and experiment demonstrate the performance of the proposed passive localization method. PMID:27369172

  2. Multiflavor correlation functions in non-Abelian gauge theories at finite fermion density in two dimensions

    SciTech Connect

    Christiansen, H.R.; Schaposnik, F.A.

    1997-04-01

    We compute vacuum expectation values of products of fermion bilinears for two-dimensional quantum chromodynamics at finite flavored-fermion densities. We introduce the chemical potential as an external charge distribution within the path-integral approach and carefully analyze the contribution of different topological sectors to fermion correlators. We show the existence of chiral condensates exhibiting an oscillatory inhomogeneous behavior as a function of a chemical potential matrix. This result is exact and goes in the same direction as the behavior found in four-dimensional QCD within the large N approximation. {copyright} {ital 1997} {ital The American Physical Society}

  3. Low Temperature Properties for Correlation Functions in Classical N-Vector Spin Models

    NASA Astrophysics Data System (ADS)

    Balaban, Tadeusz; O'Carroll, Michael

    We obtain convergent multi-scale expansions for the one-and two-point correlation functions of the low temperature lattice classical N- vector spin model in d>= 3 dimensions, N>= 2. The Gibbs factor is taken as where , , , are large and 0 < v<= 1. In the thermodynamic and limits, with h=e1, and Δ≡∂*∂, the expansion gives (spontaneous magnetization), , (Goldstone Bosons), , and , where , for some ρ > 0, and c0 is aprecisely determined constant.

  4. Data for default network reduced functional connectivity in meditators, negatively correlated with meditation expertise.

    PubMed

    Berkovich-Ohana, Aviva; Harel, Michal; Hahamy, Avital; Arieli, Amos; Malach, Rafael

    2016-09-01

    FMRI data described here was recorded during resting-state in Mindfulness Meditators (MM) and control participants (see "Task-induced activity and resting-state fluctuations undergo similar alterations in visual and DMN areas of long-term meditators" Berkovich-Ohana et al. (2016) [1] for details). MM participants were also scanned during meditation. Analyses focused on functional connectivity within and between the default mode network (DMN) and visual network (Vis). Here we show data demonstrating that: 1) Functional connectivity within the DMN and the Visual networks were higher in the control group than in the meditators; 2) Data show an increase for the functional connectivity between the DMN and the Visual networks in the meditators compared to controls; 3) Data demonstrate that functional connectivity both within and between networks reduces during meditation, compared to the resting-state; and 4) A significant negative correlation was found between DMN functional connectivity and meditation expertise. The reader is referred to Berkovich-Ohana et al. (2016) [1] for further interpretation and discussion. PMID:27508242

  5. In-vivo imaging of the photoreceptor mosaic in retinal dystrophies and correlations with visual function

    SciTech Connect

    Choi, S; Doble, N; Hardy, J; Jones, S; Keltner, J; Olivier, S; Werner, J S

    2005-10-26

    To relate in-vivo microscopic retinal changes to visual function assessed with clinical tests in patients with various forms of retinal dystrophies. The UC Davis Adaptive Optics (AO) Fundus Camera was used to acquire in-vivo retinal images at the cellular level. Visual function tests, consisting of visual field analysis, multifocal electroretinography (mfERG), contrast sensitivity and color vision measures, were performed on all subjects. Five patients with different forms of retinal dystrophies and three control subjects were recruited. Cone densities were quantified for all retinal images. In all images of diseased retinas, there were extensive areas of dark space between groups of photoreceptors, where no cone photoreceptors were evident. These irregular features were not seen in healthy retinas, but were characteristic features in fundi with retinal dystrophies. There was a correlation between functional vision loss and the extent to which the irregularities occurred in retinal images. Cone densities were found to decrease with an associated decrease in retinal function. AO fundus photography is a reliable technique for assessing and quantifying the changes in the photoreceptor layer as disease progresses. Furthermore, this technique can be useful in cases where visual function tests give borderline or ambiguous results, as it allows visualization of individual photoreceptors.

  6. Temperature Dependence of Radiative and Nonradiative Rates from Time-Dependent Correlation Function Methods.

    PubMed

    Banerjee, Shiladitya; Baiardi, Alberto; Bloino, Julien; Barone, Vincenzo

    2016-02-01

    The temperature dependence of the rate constants in radiative and nonradiative decays from excited electronic states has been studied using a time-dependent correlation function approach in the framework of the adiabatic representation and the harmonic oscillator approximation. The present work analyzes the vibrational aspect of the processes, which gives rise to the temperature dependence, with the inclusion of mode-mixing, as well as of frequency change effects. The temperature dependence of the rate constants shows a contrasting nature, depending on whether the process has been addressed within the Franck-Condon approximation or beyond it. The calculation of the Duschinsky matrix and the shift vector between the normal modes of the two states can be done in Cartesian and/or internal coordinates, depending on the flexibility of the investigated molecule. A new computational code has been developed to calculate the rates of intersystem crossing, internal conversion, and fluorescence for selected molecules as functions of temperature. PMID:26683207

  7. Correlation Functions of Winding Strings in AdS{sub 3}

    SciTech Connect

    Minces, Pablo

    2008-07-28

    We review certain results for amplitudes of spectral flowed operators in string theory on AdS{sub 3}. We present the modified Knizhnik-Zamolodchikov and null vector equations to be satisfied by correlators including w = 1 operators. We then discuss the three point function of two w = 1 and one w 0 operators in the x-basis, and perform a consistency check on the definition of the w = 1 operator. We finally exhibit the steps in the calculation of the winding conserving four point functions for operators in arbitrary spectral flowed sectors, both in the m- and x-basis, under the only assumption that at least one of the operators is in the spectral flowed image of the highest weight discrete representation.

  8. Functional correlates of preserved naming performance in amnestic Mild Cognitive Impairment.

    PubMed

    Catricalà, Eleonora; Della Rosa, Pasquale A; Parisi, Laura; Zippo, Antonio G; Borsa, Virginia M; Iadanza, Antonella; Castiglioni, Isabella; Falini, Andrea; Cappa, Stefano F

    2015-09-01

    Naming abilities are typically preserved in amnestic Mild Cognitive Impairment (aMCI), a condition associated with increased risk of progression to Alzheimer's disease (AD). We compared the functional correlates of covert picture naming and word reading between a group of aMCI subjects and matched controls. Unimpaired picture naming performance was associated with more extensive activations, in particular involving the parietal lobes, in the aMCI group. In addition, in the condition associated with higher processing demands (blocks of categorically homogeneous items, living items), increased activity was observed in the aMCI group, in particular in the left fusiform gyrus. Graph analysis provided further evidence of increased modularity and reduced integration for the homogenous sets in the aMCI group. The functional modifications associated with preserved performance may reflect, in the case of more demanding tasks, compensatory mechanisms for the subclinical involvement of semantic processing areas by AD pathology. PMID:25578430

  9. Communication: Excited states, dynamic correlation functions and spectral properties from full configuration interaction quantum Monte Carlo.

    PubMed

    Booth, George H; Chan, Garnet Kin-Lic

    2012-11-21

    In this communication, we propose a method for obtaining isolated excited states within the full configuration interaction quantum Monte Carlo framework. This method allows for stable sampling with respect to collapse to lower energy states and requires no uncontrolled approximations. In contrast with most previous methods to extract excited state information from quantum Monte Carlo methods, this results from a modification to the underlying propagator, and does not require explicit orthogonalization, analytic continuation, transient estimators, or restriction of the Hilbert space via a trial wavefunction. Furthermore, we show that the propagator can directly yield frequency-domain correlation functions and spectral functions such as the density of states which are difficult to obtain within a traditional quantum Monte Carlo framework. We demonstrate this approach with pilot applications to the neon atom and beryllium dimer.

  10. Statistics of time delay and scattering correlation functions in chaotic systems. II. Semiclassical approximation

    SciTech Connect

    Novaes, Marcel

    2015-06-15

    We consider S-matrix correlation functions for a chaotic cavity having M open channels, in the absence of time-reversal invariance. Relying on a semiclassical approximation, we compute the average over E of the quantities Tr[S{sup †}(E − ϵ) S(E + ϵ)]{sup n}, for general positive integer n. Our result is an infinite series in ϵ, whose coefficients are rational functions of M. From this, we extract moments of the time delay matrix Q = − iħS{sup †}dS/dE and check that the first 8 of them agree with the random matrix theory prediction from our previous paper [M. Novaes, J. Math. Phys. 56, 062110 (2015)].

  11. Cortical substrates and functional correlates of auditory deviance processing deficits in schizophrenia

    PubMed Central

    Rissling, Anthony J.; Miyakoshi, Makoto; Sugar, Catherine A.; Braff, David L.; Makeig, Scott; Light, Gregory A.

    2014-01-01

    Although sensory processing abnormalities contribute to widespread cognitive and psychosocial impairments in schizophrenia (SZ) patients, scalp-channel measures of averaged event-related potentials (ERPs) mix contributions from distinct cortical source-area generators, diluting the functional relevance of channel-based ERP measures. SZ patients (n = 42) and non-psychiatric comparison subjects (n = 47) participated in a passive auditory duration oddball paradigm, eliciting a triphasic (Deviant−Standard) tone ERP difference complex, here termed the auditory deviance response (ADR), comprised of a mid-frontal mismatch negativity (MMN), P3a positivity, and re-orienting negativity (RON) peak sequence. To identify its cortical sources and to assess possible relationships between their response contributions and clinical SZ measures, we applied independent component analysis to the continuous 68-channel EEG data and clustered the resulting independent components (ICs) across subjects on spectral, ERP, and topographic similarities. Six IC clusters centered in right superior temporal, right inferior frontal, ventral mid-cingulate, anterior cingulate, medial orbitofrontal, and dorsal mid-cingulate cortex each made triphasic response contributions. Although correlations between measures of SZ clinical, cognitive, and psychosocial functioning and standard (Fz) scalp-channel ADR peak measures were weak or absent, for at least four IC clusters one or more significant correlations emerged. In particular, differences in MMN peak amplitude in the right superior temporal IC cluster accounted for 48% of the variance in SZ-subject performance on tasks necessary for real-world functioning and medial orbitofrontal cluster P3a amplitude accounted for 40%/54% of SZ-subject variance in positive/negative symptoms. Thus, source-resolved auditory deviance response measures including MMN may be highly sensitive to SZ clinical, cognitive, and functional characteristics. PMID:25379456

  12. Correlation of neurocognitive function and brain parenchyma volumes in children surviving cancer

    NASA Astrophysics Data System (ADS)

    Reddick, Wilburn E.; White, Holly A.; Glass, John O.; Mulhern, Raymond K.

    2002-04-01

    This research builds on our hypothesis that white matter damage and associated neurocognitive symptoms, in children treated for cancer with cranial spinal irradiation, spans a continuum of severity that can be reliably probed using non-invasive MR technology. Quantitative volumetric assessments of MR imaging and psychological assessments were obtained in 40 long-term survivors of malignant brain tumors treated with cranial irradiation. Neurocognitive assessments included a test of intellect (Wechsler Intelligence Test for Children, Wechsler Adult Intelligence Scale), attention (Conner's Continuous Performance Test), and memory (California Verbal Learning Test). One-sample t-tests were conducted to evaluate test performance of survivors against age-adjusted scores from the test norms; these analyses revealed significant impairments in all apriori selected measures of intelligence, attention, and memory. Partial correlation analyses were performed to assess the relationships between brain tissues volumes (normal appearing white matter (NAWM), gray matter, and CSF) and neurocognitive function. Global intelligence (r = 0.32, p = 0.05) and global attentional (r = 0.49, p < 0.01) were significantly positively correlated with NAWM volumes, whereas global memory was significantly positively correlated with overall brain parenchyma (r = 0.38, p = 0.04). We conclude that quantitative assessment of MR examinations in survivors of childhood cancer treated with cranial irradiation reveal that loss of NAWM is associated with decreased intellectual and attentional deficits, whereas overall parenchyma loss, as reflected by increased CSF and decreased white matter, is associated with memory-related deficits.

  13. Efficiently accounting for ion correlations in electrokinetic nanofluidic devices using density functional theory.

    PubMed

    Gillespie, Dirk; Khair, Aditya S; Bardhan, Jaydeep P; Pennathur, Sumita

    2011-07-15

    The electrokinetic behavior of nanofluidic devices is dominated by the electrical double layers at the device walls. Therefore, accurate, predictive models of double layers are essential for device design and optimization. In this paper, we demonstrate that density functional theory (DFT) of electrolytes is an accurate and computationally efficient method for computing finite ion size effects and the resulting ion-ion correlations that are neglected in classical double layer theories such as Poisson-Boltzmann. Because DFT is derived from liquid-theory thermodynamic principles, it is ideal for nanofluidic systems with small spatial dimensions, high surface charge densities, high ion concentrations, and/or large ions. Ion-ion correlations are expected to be important in these regimes, leading to nonlinear phenomena such as charge inversion, wherein more counterions adsorb at the wall than is necessary to neutralize its surface charge, leading to a second layer of co-ions. We show that DFT, unlike other theories that do not include ion-ion correlations, can predict charge inversion and other nonlinear phenomena that lead to qualitatively different current densities and ion velocities for both pressure-driven and electro-osmotic flows. We therefore propose that DFT can be a valuable modeling and design tool for nanofluidic devices as they become smaller and more highly charged.

  14. Correlation analysis between pulmonary function test parameters and CT image parameters of emphysema

    NASA Astrophysics Data System (ADS)

    Liu, Cheng-Pei; Li, Chia-Chen; Yu, Chong-Jen; Chang, Yeun-Chung; Wang, Cheng-Yi; Yu, Wen-Kuang; Chen, Chung-Ming

    2016-03-01

    Conventionally, diagnosis and severity classification of Chronic Obstructive Pulmonary Disease (COPD) are usually based on the pulmonary function tests (PFTs). To reduce the need of PFT for the diagnosis of COPD, this paper proposes a correlation model between the lung CT images and the crucial index of the PFT, FEV1/FVC, a severity index of COPD distinguishing a normal subject from a COPD patient. A new lung CT image index, Mirage Index (MI), has been developed to describe the severity of COPD primarily with emphysema disease. Unlike conventional Pixel Index (PI) which takes into account all voxels with HU values less than -950, the proposed approach modeled these voxels by different sizes of bullae balls and defines MI as a weighted sum of the percentages of the bullae balls of different size classes and locations in a lung. For evaluation of the efficacy of the proposed model, 45 emphysema subjects of different severity were involved in this study. In comparison with the conventional index, PI, the correlation between MI and FEV1/FVC is -0.75+/-0.08, which substantially outperforms the correlation between PI and FEV1/FVC, i.e., -0.63+/-0.11. Moreover, we have shown that the emphysematous lesion areas constituted by small bullae balls are basically irrelevant to FEV1/FVC. The statistical analysis and special case study results show that MI can offer better assessment in different analyses.

  15. Dissociating animacy processing in high-functioning autism: neural correlates of stimulus properties and subjective ratings.

    PubMed

    Kuzmanovic, Bojana; Schilbach, Leonhard; Georgescu, Alexandra L; Kockler, Hanna; Santos, Natacha S; Shah, N Jon; Bente, Gary; Fink, Gereon R; Vogeley, Kai

    2014-01-01

    When movements indicate meaningful actions, even nonbiological objects induce the impression of "having a mind" or animacy. This basic social ability was investigated in adults with high-functioning autism (HFA, n = 13, and matched controls, n = 13) by systematically varying motion properties of simple geometric shapes. Critically, trial-by-trial variations of (1) motion complexity of stimuli, and of (2) participants' individual animacy ratings were separately correlated with neural activity to dissociate cognitive strategies relying more closely on stimulus analysis vs. subjective experience. Increasing motion complexity did not yield any significant group differences, and in both groups, it correlated with neural activity in regions involved in perceptual and evaluative processing, including the ventral medial prefrontal cortex (mPFC), superior temporal gyrus (STG) and posterior cingulate cortex (PCC). In contrast, although there were no significant behavioral differences between the groups, increasing animacy ratings correlated with neural activity in the insula, STG, amygdala, dorsal mPFC and PCC more strongly in controls than in HFA. These results indicate that in HFA the evaluation of stimulus properties cuing for animacy is intact, while increasing subjective ratings do not seem to be robustly related to social processing, including spontaneous mental state inferences and experience of salience. PMID:24512520

  16. Electron configuration and correlation effects in organometallic molecules from constraint density functional theory

    NASA Astrophysics Data System (ADS)

    Nawa, Kenji; Nakamura, Kohji; Akiyama, Toru; Ito, Tomonori; Weinert, Michael

    2015-03-01

    Interest in single organometallic molecule and that adsorbed on solid surfaces has rapidly increased because of possible novel applications. For molecules with transition metals (TMs), the d-electron configuration is an essential aspect of their electronic and magnetic properties, and correlation effects can not be excluded. Here, we investigate systematically the electron configuration and correlation effects for prototypical organometallic molecules of tridimensional metallocene (TMCp2) and planer phthalocyanine (TMPc). Calculations were carried out based on the constraint density functional theory (DFT) by using the full-potential linearized augmented plane wave method that incorporates an on-site Coulomb interaction correction + U . We find that these correlation effects play a key role in determining the ground state of the electron configuration for the organometallic molecules. The calculated ground states of TMCp2, where TM =Cr, Mn, Fe, Co, and Ni, obtained by constraint DFT with +U reproduce the experimentally determined structures of 3E2 g , 6A1 g , 1A1 g , 2E1 g , and 3A2 g , respectively. Results for the TMPc will be also presented.

  17. Correlated functional changes of the prefrontal cortex in twins induced by classroom education of second language.

    PubMed

    Sakai, Kuniyoshi L; Miura, Kunihiko; Narafu, Nobuko; Muraishi, Yukimasa

    2004-11-01

    As the neural substrates of second language (L2) acquisition are largely unknown, they may or may not be similar to those of first language (L1) representation. We used functional imaging to examine whether training in the conjugation of English verbs from present to past tense alters brain activations in 13-year-old twins. A novel experimental design contrasted past tense verb identification and verb matching, which were tested in either English (L2) or Japanese (L1). After 2 month classroom training in the past tense using bingo games, the two individuals in each pair exhibited significantly correlated performances. When pre- and post-scanning sessions were compared with each other for L2, the left dorsal inferior frontal gyrus (IFG) exhibited significantly correlated activation increases within each pair of twins and the increases were positively correlated with individual performance improvements. Moreover, the cortical plasticity for L2 acquisition was guided toward the L1 specialization of the left dorsal IFG, in spite of notable differences between L1 and L2 in the students' linguistic knowledge and in their performance in making past tense forms. These findings suggest a cortical mechanism underlying L2 acquisition, which critically depends on shared genetic and environmental factors for each twin in a surprisingly predictive manner.

  18. Increasing the applicability of density functional theory. II. Correlation potentials from the random phase approximation and beyond

    NASA Astrophysics Data System (ADS)

    Verma, Prakash; Bartlett, Rodney J.

    2012-01-01

    Density functional theory (DFT) results are mistrusted at times due to the presence of an unknown exchange correlation functional, with no practical way to guarantee convergence to the right answer. The use of a known exchange correlation functional based on wave-function theory helps to alleviate such mistrust. The exchange correlation functionals can be written exactly in terms of the density-density response function using the adiabatic-connection and fluctuation-dissipation framework. The random phase approximation (RPA) is the simplest approximation for the density-density response function. Since the correlation functional obtained from RPA is equivalent to the direct ring coupled cluster doubles (ring-CCD) correlation functional, meaning only Coulomb interactions are included, one can bracket RPA between many body perturbation theory (MBPT)-2 and CCD with the latter having all ring, ladder, and exchange contributions. Using an optimized effective potential strategy, we obtain correlation potentials corresponding to MBPT-2, RPA (ring-CCD), linear-CCD, and CCD. Using the suitable choice of the unperturbed Hamiltonian, Kohn-Sham self-consistent calculations are performed. The spatial behavior of the resulting potentials, total energies, and the HOMO eigenvalues are compared with the exact values for spherical atoms. Further, we demonstrate that the self-consistent eigenvalues obtained from these consistent potentials used in ab initio dft approximate all principal ionization potentials as demanded by ionization potential theorem.

  19. Pair correlation function decay in models of simple fluids that contain dispersion interactions.

    PubMed

    Evans, R; Henderson, J R

    2009-11-25

    We investigate the intermediate-and longest-range decay of the total pair correlation function h(r) in model fluids where the inter-particle potential decays as -r(-6), as is appropriate to real fluids in which dispersion forces govern the attraction between particles. It is well-known that such interactions give rise to a term in q(3) in the expansion of [Formula: see text], the Fourier transform of the direct correlation function. Here we show that the presence of the r(-6) tail changes significantly the analytic structure of [Formula: see text] from that found in models where the inter-particle potential is short ranged. In particular the pure imaginary pole at q = iα(0), which generates monotonic-exponential decay of rh(r) in the short-ranged case, is replaced by a complex (pseudo-exponential) pole at q = iα(0)+α(1) whose real part α(1) is negative and generally very small in magnitude. Near the critical point α(1)∼-α(0)(2) and we show how classical Ornstein-Zernike behaviour of the pair correlation function is recovered on approaching the mean-field critical point. Explicit calculations, based on the random phase approximation, enable us to demonstrate the accuracy of asymptotic formulae for h(r) in all regions of the phase diagram and to determine a pseudo-Fisher-Widom (pFW) line. On the high density side of this line, intermediate-range decay of rh(r) is exponentially damped-oscillatory and the ultimate long-range decay is power-law, proportional to r(-6), whereas on the low density side this damped-oscillatory decay is sub-dominant to both monotonic-exponential and power-law decay. Earlier analyses did not identify the pseudo-exponential pole and therefore the existence of the pFW line. Our results enable us to write down the generic wetting potential for a 'real' fluid exhibiting both short-ranged and dispersion interactions. The monotonic-exponential decay of correlations associated with the pseudo-exponential pole introduces additional terms into

  20. Report on 3- and 4-Point Correlation Statistics in COBE DMR Anisotropy Maps

    NASA Technical Reports Server (NTRS)

    Hinshaw, Gary; Gorski, Krzystof M.; Bennett, Charles L.; Banday, Anthony J.

    1996-01-01

    As part of the work performed under this contract, we have computed the 3- and 4-point correlation functions of the COBE-DMR 2-year and 4-year anisotropy maps. The results of our work showed that the 3-point correlation function is consistent with zero and that the 4-point function is not a very sensitive probe of non-Gaussian behavior in the COBE-DMR data.

  1. Boltzmann-conserving classical dynamics in quantum time-correlation functions: “Matsubara dynamics”

    SciTech Connect

    Hele, Timothy J. H.; Willatt, Michael J.; Muolo, Andrea; Althorpe, Stuart C.

    2015-04-07

    We show that a single change in the derivation of the linearized semiclassical-initial value representation (LSC-IVR or “classical Wigner approximation”) results in a classical dynamics which conserves the quantum Boltzmann distribution. We rederive the (standard) LSC-IVR approach by writing the (exact) quantum time-correlation function in terms of the normal modes of a free ring-polymer (i.e., a discrete imaginary-time Feynman path), taking the limit that the number of polymer beads N → ∞, such that the lowest normal-mode frequencies take their “Matsubara” values. The change we propose is to truncate the quantum Liouvillian, not explicitly in powers of ħ{sup 2} at ħ{sup 0} (which gives back the standard LSC-IVR approximation), but in the normal-mode derivatives corresponding to the lowest Matsubara frequencies. The resulting “Matsubara” dynamics is inherently classical (since all terms O(ħ{sup 2}) disappear from the Matsubara Liouvillian in the limit N → ∞) and conserves the quantum Boltzmann distribution because the Matsubara Hamiltonian is symmetric with respect to imaginary-time translation. Numerical tests show that the Matsubara approximation to the quantum time-correlation function converges with respect to the number of modes and gives better agreement than LSC-IVR with the exact quantum result. Matsubara dynamics is too computationally expensive to be applied to complex systems, but its further approximation may lead to practical methods.

  2. Modeling Light Scattering in Tissue as Continuous Random Media Using a Versatile Refractive Index Correlation Function

    PubMed Central

    Rogers, Jeremy D.; Radosevich, Andrew J.; Yi, Ji; Backman, Vadim

    2014-01-01

    Optical interactions with biological tissue provide powerful tools for study, diagnosis, and treatment of disease. When optical methods are used in applications involving tissue, scattering of light is an important phenomenon. In imaging modalities, scattering provides contrast, but also limits imaging depth, so models help optimize an imaging technique. Scattering can also be used to collect information about the tissue itself providing diagnostic value. Therapies involving focused beams require scattering models to assess dose distribution. In all cases, models of light scattering in tissue are crucial to correctly interpreting the measured signal. Here, we review a versatile model of light scattering that uses the Whittle–Matérn correlation family to describe the refractive index correlation function Bn (rd). In weakly scattering media such as tissue, Bn (rd) determines the shape of the power spectral density from which all other scattering characteristics are derived. This model encompasses many forms such as mass fractal and the Henyey–Greenstein function as special cases. We discuss normalization and calculation of optical properties including the scattering coefficient and anisotropy factor. Experimental methods using the model are also described to quantify tissue properties that depend on length scales of only a few tens of nanometers. PMID:25587211

  3. Optimization of correlated multi-response quality engineering by the upside-down normal loss function

    NASA Astrophysics Data System (ADS)

    Zeybek, Melis; Köksoy, Onur

    2016-08-01

    Most of the published literature on robust design is basically concerned with a single response. However, the reality is that common industrial problems usually involve several quality characteristics, which are often correlated. Traditional approaches to multidimensional quality do not offer much information on how much better or worse a process is when finding optimal settings. Köksoy and Fan [Engineering Optimization 44 (8): 935-945] pointed out that the upside-down normal loss function provides a more reasonable risk assessment to the losses of being off-target in product engineering research. However, they only consider the single-response case. This article generalizes their idea to more than one response under possible correlations and co-movement effects of responses on the process loss. The response surface methodology has been adapted, estimating the expected multivariate upside-down normal loss function of a multidimensional system to find the optimal control factor settings of a given problem. The procedure and its merits are illustrated through an example.

  4. Communication: Near-locality of exchange and correlation density functionals for 1- and 2-electron systems.

    PubMed

    Sun, Jianwei; Perdew, John P; Yang, Zenghui; Peng, Haowei

    2016-05-21

    The uniform electron gas and the hydrogen atom play fundamental roles in condensed matter physics and quantum chemistry. The former has an infinite number of electrons uniformly distributed over the neutralizing positively charged background, and the latter only one electron bound to the proton. The uniform electron gas was used to derive the local spin density approximation to the exchange-correlation functional that undergirds the development of the Kohn-Sham density functional theory. We show here that the ground-state exchange-correlation energies of the hydrogen atom and many other 1- and 2-electron systems are modeled surprisingly well by a different local spin density approximation (LSDA0). LSDA0 is constructed to satisfy exact constraints but agrees surprisingly well with the exact results for a uniform two-electron density in a finite, curved three-dimensional space. We also apply LSDA0 to excited or noded 1-electron densities, where it works less well. Furthermore, we show that the localization of the exact exchange hole for a 1- or 2-electron ground state can be measured by the ratio of the exact exchange energy to its optimal lower bound. PMID:27208927

  5. Accurate and systematically improvable density functional theory embedding for correlated wavefunctions

    SciTech Connect

    Goodpaster, Jason D.; Barnes, Taylor A.; Miller, Thomas F.; Manby, Frederick R.

    2014-05-14

    We analyze the sources of error in quantum embedding calculations in which an active subsystem is treated using wavefunction methods, and the remainder using density functional theory. We show that the embedding potential felt by the electrons in the active subsystem makes only a small contribution to the error of the method, whereas the error in the nonadditive exchange-correlation energy dominates. We test an MP2 correction for this term and demonstrate that the corrected embedding scheme accurately reproduces wavefunction calculations for a series of chemical reactions. Our projector-based embedding method uses localized occupied orbitals to partition the system; as with other local correlation methods, abrupt changes in the character of the localized orbitals along a reaction coordinate can lead to discontinuities in the embedded energy, but we show that these discontinuities are small and can be systematically reduced by increasing the size of the active region. Convergence of reaction energies with respect to the size of the active subsystem is shown to be rapid for all cases where the density functional treatment is able to capture the polarization of the environment, even in conjugated systems, and even when the partition cuts across a double bond.

  6. Functional and evolutionary correlations of steep leaf angles in the mexical shrubland.

    PubMed

    Valiente-Banuet, Alfonso; Verdú, Miguel; Valladares, Fernando; García-Fayos, Patricio

    2010-05-01

    In the evergreen shrubland vegetation of Mexico (mexical), most of the species are sclerophyllous woody plants with steep leaf angles. This architectural pattern has been interpreted as a strategy to cope with water shortages and high radiation. However, the current association between evergreenness and steep leaf angles across mexical plant species could be the result of an adaptive association achieved through correlated evolutionary change between both traits or, alternatively, may be the result of common evolutionary ancestry. In this study, we quantified leaf angle in 28 dominant species under a phylogenetic framework and evaluated the functional implications of the observed range of leaf angles in terms of leaf temperature, water potentials and transpiration by combining manipulative experiments restraining leaves horizontally with microclimatic and stomatal conductance measurements in selected species and energy balance calculations. Horizontally restrained leaves exhibited reduced water potentials and stomatal conductances, and significantly increased temperatures and transpiration rates. Steeply inclined leaves operated near air temperatures and could sustain relatively high stomatal conductances during the dry season since they were associated with low transpiration rates. Phylogenetic analyses showed that steep leaf angles evolved in a correlated fashion in evergreen species. The functional consequences of leaf angle together with the phylogenetic analysis indicate the adaptive nature of this trait which allows the evergreen species to cope with arid conditions and therefore to persist within the mexical community.

  7. Nicotinic acetylcholine receptor expression in human airway correlates with lung function.

    PubMed

    Lam, David Chi-Leung; Luo, Susan Yang; Fu, Kin-Hang; Lui, Macy Mei-Sze; Chan, Koon-Ho; Wistuba, Ignacio Ivans; Gao, Boning; Tsao, Sai-Wah; Ip, Mary Sau-Man; Minna, John Dorrance

    2016-02-01

    Nicotine and its derivatives, by binding to nicotinic acetylcholine receptors (nAChRs) on bronchial epithelial cells, can regulate cellular signaling and inflammatory processes. Delineation of nAChR subtypes and their responses to nicotine stimulation in bronchial epithelium may provide information for therapeutic targeting in smoking-related inflammation in the airway. Expression of nAChR subunit genes in 60 bronchial epithelial biopsies and immunohistochemical staining for the subcellular locations of nAChR subunit expression were evaluated. Seven human bronchial epithelial cell lines (HBECs) were exposed to nicotine in vitro for their response in nAChR subunit gene expression to nicotine exposure and removal. The relative normalized amount of expression of nAChR α4, α5, and α7 and immunohistochemical staining intensity of nAChR α4, α5, and β3 expression showed significant correlation with lung function parameters. Nicotine stimulation in HBECs resulted in transient increase in the levels of nAChR α5 and α6 but more sustained increase in nAChR α7 expression. nAChR expression in bronchial epithelium was found to correlate with lung function. Nicotine exposure in HBECs resulted in both short and longer term responses in nAChR subunit gene expression. These results gave insight into the potential of targeting nAChRs for therapy in smoking-related inflammation in the airway. PMID:26608528

  8. The correlation function for density perturbations in an expanding universe. I - Linear theory

    NASA Technical Reports Server (NTRS)

    Mcclelland, J.; Silk, J.

    1977-01-01

    The evolution of the two-point correlation function for adiabatic density perturbations in the early universe is studied. Analytical solutions are obtained for the evolution of linearized spherically symmetric adiabatic density perturbations and the two-point correlation function for these perturbations in the radiation-dominated portion of the early universe. The results are then extended to the regime after decoupling. It is found that: (1) adiabatic spherically symmetric perturbations comparable in scale with the maximum Jeans length would survive the radiation-dominated regime; (2) irregular fluctuations are smoothed out up to the scale of the maximum Jeans length in the radiation era, but regular fluctuations might survive on smaller scales; (3) in general, the only surviving structures for irregularly shaped adiabatic density perturbations of arbitrary but finite scale in the radiation regime are the size of or larger than the maximum Jeans length in that regime; (4) infinite plane waves with a wavelength smaller than the maximum Jeans length but larger than the critical dissipative damping scale could survive the radiation regime; and (5) black holes would also survive the radiation regime and might accrete sufficient mass after decoupling to nucleate the formation of galaxies.

  9. Time Reversal Mirrors and Cross Correlation Functions in Acoustic Wave Propagation

    NASA Astrophysics Data System (ADS)

    Fishman, Louis; Jonsson, B. Lars G.; de Hoop, Maarten V.

    2009-03-01

    In time reversal acoustics (TRA), a signal is recorded by an array of transducers, time reversed, and then retransmitted into the configuration. The retransmitted signal propagates back through the same medium and retrofocuses on the source that generated the signal. If the transducer array is a single, planar (flat) surface, then this configuration is referred to as a planar, one-sided, time reversal mirror (TRM). In signal processing, for example, in active-source seismic interferometry, the measurement of the wave field at two distinct receivers, generated by a common source, is considered. Cross correlating these two observations and integrating the result over the sources yield the cross correlation function (CCF). Adopting the TRM experiments as the basic starting point and identifying the kinematically correct correspondences, it is established that the associated CCF signal processing constructions follow in a specific, infinite recording time limit. This perspective also provides for a natural rationale for selecting the Green's function components in the TRM and CCF expressions. For a planar, one-sided, TRM experiment and the corresponding CCF signal processing construction, in a three-dimensional homogeneous medium, the exact expressions are explicitly calculated, and the connecting limiting relationship verified. Finally, the TRM and CCF results are understood in terms of the underlying, governing, two-way wave equation, its corresponding time reversal invariance (TRI) symmetry, and the absence of TRI symmetry in the associated one-way wave equations, highlighting the role played by the evanescent modal contributions.

  10. Boltzmann-conserving classical dynamics in quantum time-correlation functions: "Matsubara dynamics"

    NASA Astrophysics Data System (ADS)

    Hele, Timothy J. H.; Willatt, Michael J.; Muolo, Andrea; Althorpe, Stuart C.

    2015-04-01

    We show that a single change in the derivation of the linearized semiclassical-initial value representation (LSC-IVR or "classical Wigner approximation") results in a classical dynamics which conserves the quantum Boltzmann distribution. We rederive the (standard) LSC-IVR approach by writing the (exact) quantum time-correlation function in terms of the normal modes of a free ring-polymer (i.e., a discrete imaginary-time Feynman path), taking the limit that the number of polymer beads N → ∞, such that the lowest normal-mode frequencies take their "Matsubara" values. The change we propose is to truncate the quantum Liouvillian, not explicitly in powers of ħ2 at ħ0 (which gives back the standard LSC-IVR approximation), but in the normal-mode derivatives corresponding to the lowest Matsubara frequencies. The resulting "Matsubara" dynamics is inherently classical (since all terms O ( ħ 2 ) disappear from the Matsubara Liouvillian in the limit N → ∞) and conserves the quantum Boltzmann distribution because the Matsubara Hamiltonian is symmetric with respect to imaginary-time translation. Numerical tests show that the Matsubara approximation to the quantum time-correlation function converges with respect to the number of modes and gives better agreement than LSC-IVR with the exact quantum result. Matsubara dynamics is too computationally expensive to be applied to complex systems, but its further approximation may lead to practical methods.

  11. Boltzmann-conserving classical dynamics in quantum time-correlation functions: "Matsubara dynamics".

    PubMed

    Hele, Timothy J H; Willatt, Michael J; Muolo, Andrea; Althorpe, Stuart C

    2015-04-01

    We show that a single change in the derivation of the linearized semiclassical-initial value representation (LSC-IVR or "classical Wigner approximation") results in a classical dynamics which conserves the quantum Boltzmann distribution. We rederive the (standard) LSC-IVR approach by writing the (exact) quantum time-correlation function in terms of the normal modes of a free ring-polymer (i.e., a discrete imaginary-time Feynman path), taking the limit that the number of polymer beads N → ∞, such that the lowest normal-mode frequencies take their "Matsubara" values. The change we propose is to truncate the quantum Liouvillian, not explicitly in powers of ħ(2) at ħ(0) (which gives back the standard LSC-IVR approximation), but in the normal-mode derivatives corresponding to the lowest Matsubara frequencies. The resulting "Matsubara" dynamics is inherently classical (since all terms O(ħ(2)) disappear from the Matsubara Liouvillian in the limit N → ∞) and conserves the quantum Boltzmann distribution because the Matsubara Hamiltonian is symmetric with respect to imaginary-time translation. Numerical tests show that the Matsubara approximation to the quantum time-correlation function converges with respect to the number of modes and gives better agreement than LSC-IVR with the exact quantum result. Matsubara dynamics is too computationally expensive to be applied to complex systems, but its further approximation may lead to practical methods. PMID:25854224

  12. Planar quantum quenches: computation of exact time-dependent correlation functions at large N

    NASA Astrophysics Data System (ADS)

    Cortés Cubero, Axel

    2016-08-01

    We study a quantum quench of an integrable quantum field theory in the planar infinite-N limit. Unlike isovector-valued O(N) models, matrix-valued field theories in the infinite-N limit are not solvable by the Hartre-Fock approximation, and are nontrivial interacting theories. We study quenches with initial states that are color-charge neutral, correspond to integrability-preserving boundary conditions, and that lead to nontrivial correlation functions of operators. We compute exactly at infinite N, the time-dependent one- and two-point correlation functions of the energy-momentum tensor and renormalized field operator after this quench using known exact form factors. This computation can be done fully analytically, due the simplicity of the initial state and the form factors in the planar limit. We also show that this type of quench preserves factorizability at all times, allows for particle transmission from the pre-quench state, while still having nontrivial interacting post-quench dynamics.

  13. Computing the three-point correlation function of galaxies in O(N^2) time

    NASA Astrophysics Data System (ADS)

    Slepian, Zachary; Eisenstein, Daniel J.

    2015-12-01

    We present an algorithm that computes the multipole coefficients of the galaxy three-point correlation function (3PCF) without explicitly considering triplets of galaxies. Rather, centring on each galaxy in the survey, it expands the radially binned density field in spherical harmonics and combines these to form the multipoles without ever requiring the relative angle between a pair about the central. This approach scales with number and number density in the same way as the two-point correlation function, allowing run-times that are comparable, and 500 times faster than a naive triplet count. It is exact in angle and easily handles edge correction. We demonstrate the algorithm on the LasDamas SDSS-DR7 mock catalogues, computing an edge corrected 3PCF out to 90 Mpc h-1 in under an hour on modest computing resources. We expect this algorithm will render it possible to obtain the large-scale 3PCF for upcoming surveys such as Euclid, Large Synoptic Survey Telescope (LSST), and Dark Energy Spectroscopic Instrument.

  14. Communication: Near-locality of exchange and correlation density functionals for 1- and 2-electron systems

    NASA Astrophysics Data System (ADS)

    Sun, Jianwei; Perdew, John P.; Yang, Zenghui; Peng, Haowei

    2016-05-01

    The uniform electron gas and the hydrogen atom play fundamental roles in condensed matter physics and quantum chemistry. The former has an infinite number of electrons uniformly distributed over the neutralizing positively charged background, and the latter only one electron bound to the proton. The uniform electron gas was used to derive the local spin density approximation to the exchange-correlation functional that undergirds the development of the Kohn-Sham density functional theory. We show here that the ground-state exchange-correlation energies of the hydrogen atom and many other 1- and 2-electron systems are modeled surprisingly well by a different local spin density approximation (LSDA0). LSDA0 is constructed to satisfy exact constraints but agrees surprisingly well with the exact results for a uniform two-electron density in a finite, curved three-dimensional space. We also apply LSDA0 to excited or noded 1-electron densities, where it works less well. Furthermore, we show that the localization of the exact exchange hole for a 1- or 2-electron ground state can be measured by the ratio of the exact exchange energy to its optimal lower bound.

  15. Functional and anatomical correlates of word-, sentence-, and discourse-level integration in sign language

    PubMed Central

    Inubushi, Tomoo; Sakai, Kuniyoshi L.

    2013-01-01

    In both vocal and sign languages, we can distinguish word-, sentence-, and discourse-level integration in terms of hierarchical processes, which integrate various elements into another higher level of constructs. In the present study, we used magnetic resonance imaging and voxel-based morphometry (VBM) to test three language tasks in Japanese Sign Language (JSL): word-level (Word), sentence-level (Sent), and discourse-level (Disc) decision tasks. We analyzed cortical activity and gray matter (GM) volumes of Deaf signers, and clarified three major points. First, we found that the activated regions in the frontal language areas gradually expanded in the dorso-ventral axis, corresponding to a difference in linguistic units for the three tasks. Moreover, the activations in each region of the frontal language areas were incrementally modulated with the level of linguistic integration. These dual mechanisms of the frontal language areas may reflect a basic organization principle of hierarchically integrating linguistic information. Secondly, activations in the lateral premotor cortex and inferior frontal gyrus were left-lateralized. Direct comparisons among the language tasks exhibited more focal activation in these regions, suggesting their functional localization. Thirdly, we found significantly positive correlations between individual task performances and GM volumes in localized regions, even when the ages of acquisition (AOAs) of JSL and Japanese were factored out. More specifically, correlations with the performances of the Word and Sent tasks were found in the left precentral/postcentral gyrus and insula, respectively, while correlations with those of the Disc task were found in the left ventral inferior frontal gyrus and precuneus. The unification of functional and anatomical studies would thus be fruitful for understanding human language systems from the aspects of both universality and individuality. PMID:24155706

  16. Time-dependent exchange-correlation functional for a Hubbard dimer: Quantifying nonadiabatic effects

    NASA Astrophysics Data System (ADS)

    Fuks, Johanna I.; Farzanehpour, Mehdi; Tokatly, Ilya V.; Appel, Heiko; Kurth, Stefan; Rubio, Angel

    2013-12-01

    We address and quantify the role of nonadiabaticity ("memory effects") in the exchange-correlation (xc) functional of time-dependent density functional theory (TDDFT) for describing nonlinear dynamics of many-body systems. Time-dependent resonant processes are particularly challenging for available TDDFT approximations, due to their strong nonlinear and nonadiabatic character. None of the known approximate density functionals are able to cope with this class of problems in a satisfactory manner. In this work we look at the prototypical example of the resonant processes by considering Rabi oscillations within the exactly soluble two-site Hubbard model. We construct the exact adiabatic xc functional and show that (i) it does not reproduce correctly resonant Rabi dynamics, and (ii) there is a sizable nonadiabatic contribution to the exact xc potential, which turns out to be small only at the beginning and at the end of the Rabi cycle when the ground-state population is dominant. We then propose a "two-level" approximation for the time-dependent xc potential which can capture Rabi dynamics in the two-site problem. It works well both for resonant and for detuned Rabi oscillations and becomes essentially exact in the linear response regime.

  17. The Neural Correlates of Long-Term Carryover following Functional Electrical Stimulation for Stroke

    PubMed Central

    Gandolla, Marta; Ward, Nick S.; Molteni, Franco; Guanziroli, Eleonora; Ferrigno, Giancarlo; Pedrocchi, Alessandra

    2016-01-01

    Neurorehabilitation effective delivery for stroke is likely to be improved by establishing a mechanistic understanding of how to enhance adaptive plasticity. Functional electrical stimulation is effective at reducing poststroke foot drop; in some patients, the effect persists after therapy has finished with an unknown mechanism. We used fMRI to examine neural correlates of functional electrical stimulation key elements, volitional intent to move and concurrent stimulation, in a group of chronic stroke patients receiving functional electrical stimulation for foot-drop correction. Patients exhibited task-related activation in a complex network, sharing bilateral sensorimotor and supplementary motor activation with age-matched controls. We observed consistent separation of patients with and without carryover effect on the basis of brain responses. Patients who experienced the carryover effect had responses in supplementary motor area that correspond to healthy controls; the interaction between experimental factors in contralateral angular gyrus was seen only in those without carryover. We suggest that the functional electrical stimulation carryover mechanism of action is based on movement prediction and sense of agency/body ownership—the ability of a patient to plan the movement and to perceive the stimulation as a part of his/her own control loop is important for carryover effect to take place. PMID:27073701

  18. An integrated genomic analysis of gene-function correlation on schizophrenia susceptibility genes.

    PubMed

    Chu, Tearina T; Liu, Ying

    2010-05-01

    Schizophrenia is a highly complex inheritable disease characterized by numerous genetic susceptibility elements, each contributing a modest increase in risk for the disease. Although numerous linkage or association studies have identified a large set of schizophrenia-associated loci, many are controversial. In addition, only a small portion of these loci overlaps with the large cumulative pool of genes that have shown changes of expression in schizophrenia. Here, we applied a genomic gene-function approach to identify susceptibility loci that show direct effect on gene expression, leading to functional abnormalities in schizophrenia. We carried out an integrated analysis by cross-examination of the literature-based susceptibility loci with the schizophrenia-associated expression gene list obtained from our previous microarray study (Journal of Human Genetics (2009) 54: 665-75) using bioinformatic tools, followed by confirmation of gene expression changes using qPCR. We found nine genes (CHGB, SLC18A2, SLC25A27, ESD, C4A/C4B, TCP1, CHL1 and CTNNA2) demonstrate gene-function correlation involving: synapse and neurotransmission; energy metabolism and defense mechanisms; and molecular chaperone and cytoskeleton. Our findings further support the roles of these genes in genetic influence and functional consequences on the development of schizophrenia. It is interesting to note that four of the nine genes are located on chromosome 6, suggesting a special chromosomal vulnerability in schizophrenia.

  19. Correlations between risk factors and functional evolution in patients with spastic quadriplegia

    PubMed Central

    Rogoveanu, OC; Tuțescu, NC; Kamal, D; Alexandru, DO; Kamal, C; Streba, L; Trăistaru, MR

    2016-01-01

    Cerebral palsy is the most common cause of developing neuro-motor disability in children, in many cases, the triggering cause remaining unknown. Quadriplegia is the most severe spastic cerebral palsy, characterized by severe mental retardation and bi-pyramidal syndrome. The purpose of this paper was to demonstrate the importance of knowing the risk factors and the psychosomatic ones, determining to what extent they influence the functional evolution in patients diagnosed with spastic quadriplegia. 23 children diagnosed with spastic quadriplegia were included in the study, being aged between 1 year and half and 12 years. Patients were assessed at baseline (T1), at one year (T2) and after two years at the end of the study (T3). Patients received a comprehensive rehabilitation program for the motor and sensory deficits throughout the study. Initially, a comprehensive evaluation (etiopathogenic, clinical and functional) that started from a thorough medical history of children (the older ones), was conducted but chose parents to identify the risk factors, and a complete physical exam. At each assessment, joint and muscle balance was conducted. To assess functionality, the gross motor function classification systems (GMFCS) and manual ability (MACS) were used. Many risk factors that were classified according to the timeline in prenatal factors, perinatal and postnatal, were identified from a thorough history. A direct correlation was noticed between the decrease of coarse functionality and manual ability, both initially and in dynamic and low APGAR scores, low gestational age, low birth weight and a higher body mass index of the mother. A direct link was observed between the gross motor function and the manual ability. A significant improvement in the MACS score was noticed in patients with a better GMFCS score. PMID:27453749

  20. Correlations between risk factors and functional evolution in patients with spastic quadriplegia.

    PubMed

    Rogoveanu, O C; Tuțescu, N C; Kamal, D; Alexandru, D O; Kamal, C; Streba, L; Trăistaru, M R

    2016-01-01

    Cerebral palsy is the most common cause of developing neuro-motor disability in children, in many cases, the triggering cause remaining unknown. Quadriplegia is the most severe spastic cerebral palsy, characterized by severe mental retardation and bi-pyramidal syndrome. The purpose of this paper was to demonstrate the importance of knowing the risk factors and the psychosomatic ones, determining to what extent they influence the functional evolution in patients diagnosed with spastic quadriplegia. 23 children diagnosed with spastic quadriplegia were included in the study, being aged between 1 year and half and 12 years. Patients were assessed at baseline (T1), at one year (T2) and after two years at the end of the study (T3). Patients received a comprehensive rehabilitation program for the motor and sensory deficits throughout the study. Initially, a comprehensive evaluation (etiopathogenic, clinical and functional) that started from a thorough medical history of children (the older ones), was conducted but chose parents to identify the risk factors, and a complete physical exam. At each assessment, joint and muscle balance was conducted. To assess functionality, the gross motor function classification systems (GMFCS) and manual ability (MACS) were used. Many risk factors that were classified according to the timeline in prenatal factors, perinatal and postnatal, were identified from a thorough history. A direct correlation was noticed between the decrease of coarse functionality and manual ability, both initially and in dynamic and low APGAR scores, low gestational age, low birth weight and a higher body mass index of the mother. A direct link was observed between the gross motor function and the manual ability. A significant improvement in the MACS score was noticed in patients with a better GMFCS score. PMID:27453749

  1. A systematic classification of Plasmodium falciparum P-loop NTPases: structural and functional correlation

    PubMed Central

    Gangwar, Deepti; Kalita, Mridul K; Gupta, Dinesh; Chauhan, Virander S; Mohmmed, Asif

    2009-01-01

    Background The P-loop NTPases constitute one of the largest groups of globular protein domains that play highly diverse functional roles in most of the organisms. Even with the availability of nearly 300 different Hidden Markov Models representing the P-loop NTPase superfamily, not many P-loop NTPases are known in Plasmodium falciparum. A number of characteristic attributes of the genome have resulted into the lack of knowledge about this functionally diverse, but important class of proteins. Method In the study, protein sequences with characteristic motifs of NTPase domain (Walker A and Walker B) are computationally extracted from the P. falciparum database. A detailed secondary structure analysis, functional classification, phylogenetic and orthology studies of the NTPase domain of repertoire of 97 P. falciparum P-loop NTPases is carried out. Results Based upon distinct sequence features and secondary structure profile of the P-loop domain of obtained sequences, a cladistic classification is also conceded: nucleotide kinases and GTPases, ABC and SMC family, SF1/2 helicases, AAA+ and AAA protein families. Attempts are made to identify any ortholog(s) for each of these proteins in other Plasmodium sp. as well as its vertebrate host, Homo sapiens. A number of P. falciparum P-loop NTPases that have no homologue in the host, as well as those annotated as hypothetical proteins and lack any characteristic functional domain are identified. Conclusion The study suggests a strong correlation between sequence and secondary structure profile of P-loop domains and functional roles of these proteins and thus provides an opportunity to speculate the role of many hypothetical proteins. The study provides a methodical framework for the characterization of biologically diverse NTPases in the P. falciparum genome. The efforts made in the analysis are first of its kind; and the results augment to explore the functional role of many of these proteins from the parasite that could

  2. Correlations between risk factors and functional evolution in patients with spastic quadriplegia.

    PubMed

    Rogoveanu, O C; Tuțescu, N C; Kamal, D; Alexandru, D O; Kamal, C; Streba, L; Trăistaru, M R

    2016-01-01

    Cerebral palsy is the most common cause of developing neuro-motor disability in children, in many cases, the triggering cause remaining unknown. Quadriplegia is the most severe spastic cerebral palsy, characterized by severe mental retardation and bi-pyramidal syndrome. The purpose of this paper was to demonstrate the importance of knowing the risk factors and the psychosomatic ones, determining to what extent they influence the functional evolution in patients diagnosed with spastic quadriplegia. 23 children diagnosed with spastic quadriplegia were included in the study, being aged between 1 year and half and 12 years. Patients were assessed at baseline (T1), at one year (T2) and after two years at the end of the study (T3). Patients received a comprehensive rehabilitation program for the motor and sensory deficits throughout the study. Initially, a comprehensive evaluation (etiopathogenic, clinical and functional) that started from a thorough medical history of children (the older ones), was conducted but chose parents to identify the risk factors, and a complete physical exam. At each assessment, joint and muscle balance was conducted. To assess functionality, the gross motor function classification systems (GMFCS) and manual ability (MACS) were used. Many risk factors that were classified according to the timeline in prenatal factors, perinatal and postnatal, were identified from a thorough history. A direct correlation was noticed between the decrease of coarse functionality and manual ability, both initially and in dynamic and low APGAR scores, low gestational age, low birth weight and a higher body mass index of the mother. A direct link was observed between the gross motor function and the manual ability. A significant improvement in the MACS score was noticed in patients with a better GMFCS score.

  3. Vision in Multiple Sclerosis (MS): The Story, Structure-Function Correlations, and Models for Neuroprotection

    PubMed Central

    Sakai, Reiko E.; Feller, Daniel J.; Galetta, Kristin M.; Galetta, Steven L.; Balcer, Laura J.

    2012-01-01

    Visual dysfunction is one of the most common clinical manifestations of multiple sclerosis (MS). Just over a decade ago, MS clincial trials did not include visual outcomes but experts recognized the need for more senstive measures of visual function. Low-contrast letter acuity emerged as the leading candidate to measure visual disability in MS and subsequent studies found low-contrast acuity testing to correlate well with brain MRI lesion burden, visual-evoked potentials (VEPs), quality of life (QOL), and retinal nerve fiber layer (RNFL) loss as measured by optical coherence tomography (OCT). OCT in MS has allowed for assessment of structure-funciton correlations that make the anterior visual pathway and acute optic neuritis (ON) ideal models for testing novel agents for neuroprotection and repair. New therapies that reduce axonal loss by neuroprotective or myelin repair mechanisms can now be assessed non-invasively by OCT and coupled with visual function data. Based on OCT studies in MS, RNFL thickness is reduced significantly among patients (92 µm) versus controls (105 µm), and is particularly reduced in MS eyes with a history of ON (85 µm). Worsening of visual function by a clinically significant ≥7 letters or ~1.5 lines for low-contrast acuity is associated with approximately 4.5 µm reductions in RNFL thickness in MS eyes. Longitudinal studies of OCT have also shown RNFL axonal loss over time that occurs even in the absence of acute ON, and that correlates with clincially meaningful worsening of vision and QOL, even in patients with benign MS. The latest OCT investigations involve high-resolution spectral-domain (SD) OCT with segmentation and measurement of specific retinal layers using computerized algorithms. These methods allow quantitation of ganglion cell (neuronal) layer loss as well as axonal degeneration in MS in vivo. In this review, we examine the data from these studies and ongoing trials that highlight the entity of ON as a model to

  4. Calculations of Entanglement Entropy in Two-Electron Atomic Systems Using Highly-Correlated Hylleraas Functions

    NASA Astrophysics Data System (ADS)

    Ho, Yew; Lin, Chien-Hao; Lin, Yen-Chang

    2013-05-01

    We have calculated the linear entropy L = 1 - Tr (ρA2) of two-electron atomic systems as a practical quantitative measure for the amount of quantum entanglement in the helium atom, the hydrogen negative ion and the positronium negative ion, with ρA =TrB (|ñABAB á ϕ |) being the one-electron reduced density matrix, obtained after tracing the two-electron density matrix over the degrees of freedom of the other electron. We have used highly correlated Hylleraas-type wave functions (up to N = 203 terms) with which the inter-electronic coordinates are explicitly included. Due to the use of r12 (the distance between the two electrons) factors in the wave functions, calculations of L would require the need to solve four-electron integrals. We will present our detailed calculations at the meeting, including investigations of systematic convergence of the linear entropy for increasing number of terms in the wave functions. Comparisons are made with other available results for the helium atom. We have calculated the linear entropy L = 1 - Tr (ρA2) of two-electron atomic systems as a practical quantitative measure for the amount of quantum entanglement in the helium atom, the hydrogen negative ion and the positronium negative ion, with ρA =TrB (|ñABAB á ϕ |) being the one-electron reduced density matrix, obtained after tracing the two-electron density matrix over the degrees of freedom of the other electron. We have used highly correlated Hylleraas-type wave functions (up to N = 203 terms) with which the inter-electronic coordinates are explicitly included. Due to the use of r12 (the distance between the two electrons) factors in the wave functions, calculations of L would require the need to solve four-electron integrals. We will present our detailed calculations at the meeting, including investigations of systematic convergence of the linear entropy for increasing number of terms in the wave functions. Comparisons are made with other available results for the

  5. Functional connectivity and structural covariance between regions of interest can be measured more accurately using multivariate distance correlation.

    PubMed

    Geerligs, Linda; Cam-Can; Henson, Richard N

    2016-07-15

    Studies of brain-wide functional connectivity or structural covariance typically use measures like the Pearson correlation coefficient, applied to data that have been averaged across voxels within regions of interest (ROIs). However, averaging across voxels may result in biased connectivity estimates when there is inhomogeneity within those ROIs, e.g., sub-regions that exhibit different patterns of functional connectivity or structural covariance. Here, we propose a new measure based on "distance correlation"; a test of multivariate dependence of high dimensional vectors, which allows for both linear and non-linear dependencies. We used simulations to show how distance correlation out-performs Pearson correlation in the face of inhomogeneous ROIs. To evaluate this new measure on real data, we use resting-state fMRI scans and T1 structural scans from 2 sessions on each of 214 participants from the Cambridge Centre for Ageing & Neuroscience (Cam-CAN) project. Pearson correlation and distance correlation showed similar average connectivity patterns, for both functional connectivity and structural covariance. Nevertheless, distance correlation was shown to be 1) more reliable across sessions, 2) more similar across participants, and 3) more robust to different sets of ROIs. Moreover, we found that the similarity between functional connectivity and structural covariance estimates was higher for distance correlation compared to Pearson correlation. We also explored the relative effects of different preprocessing options and motion artefacts on functional connectivity. Because distance correlation is easy to implement and fast to compute, it is a promising alternative to Pearson correlations for investigating ROI-based brain-wide connectivity patterns, for functional as well as structural data.

  6. Static structural signatures of nearly jammed disordered and ordered hard-sphere packings: Direct correlation function

    NASA Astrophysics Data System (ADS)

    Atkinson, Steven; Stillinger, Frank H.; Torquato, Salvatore

    2016-09-01

    The nonequilibrium process by which hard-particle systems may be compressed into disordered, jammed states has received much attention because of its wide utility in describing a broad class of amorphous materials. While dynamical signatures are known to precede jamming, the task of identifying static structural signatures indicating the onset of jamming have proven more elusive. The observation that compressing hard-particle packings towards jamming is accompanied by an anomalous suppression of density fluctuations (termed "hyperuniformity") has paved the way for the analysis of jamming as an "inverted critical point" in which the direct correlation function c (r ) , rather than the total correlation function h (r ) , diverges. We expand on the notion that c (r ) provides both universal and protocol-specific information as packings approach jamming. By considering the degree and position of singularities (discontinuities in the n th derivative) as well as how they are changed by the convolutions found in the Ornstein-Zernike equation, we establish quantitative statements about the structure of c (r ) with regards to singularities it inherits from h (r ) . These relations provide a concrete means of identifying features that must be expressed in c (r ) if one hopes to reproduce various details in the pair correlation function accurately and provide stringent tests on the associated numerics. We also analyze the evolution of systems of three-dimensional monodisperse hard spheres of diameter D as they approach ordered and disordered jammed configurations. For the latter, we use the Lubachevsky-Stillinger (LS) molecular dynamics and Torquato-Jiao (TJ) sequential linear programming algorithms, which both generate disordered packings, but can show perceptible structural differences. We identify a short-ranged scaling c (r )∝-1 /r as r →0 that accompanies the formation of the delta function at c (D ) that indicates the formation of contacts in all cases, and show

  7. Correlation functions of the KdV hierarchy and applications to intersection numbers over M bar g , n

    NASA Astrophysics Data System (ADS)

    Bertola, Marco; Dubrovin, Boris; Yang, Di

    2016-07-01

    We derive an explicit generating function of correlation functions of an arbitrary tau-function of the KdV hierarchy. In particular applications, our formulation gives closed formulæ of a new type for the generating series of intersection numbers of ψ-classes as well as of mixed ψ- and κ-classes in full genera.

  8. Viral bronchiolitis in young rats causes small airway lesions that correlate with reduced lung function.

    PubMed

    Sorkness, Ronald L; Szakaly, Renee J; Rosenthal, Louis A; Sullivan, Ruth; Gern, James E; Lemanske, Robert F; Sun, Xin

    2013-11-01

    Viral illness with wheezing during infancy is associated with the inception of childhood asthma. Small airway dysfunction is a component of childhood asthma, but little is known about how viral illness at an early age may affect the structure and function of small airways. We used a well-characterized rat model of postbronchiolitis chronic airway dysfunction to address how postinfectious small airway lesions affect airway physiological function and if the structure/function correlates persist into maturity. Brown Norway rats were sham- or virus inoculated at 3 to 4 weeks of age and allowed to recover from the acute illness. At 3 to 14 months of age, physiology (respiratory system resistance, Newtonian resistance, tissue damping, and static lung volumes) was assessed in anesthetized, intubated rats. Serial lung sections revealed lesions in the terminal bronchioles that reduced luminal area and interrupted further branching, affecting 26% (range, 13-39%) of the small airways at 3 months of age and 22% (range, 6-40%) at 12 to 14 months of age. At 3 months of age (n = 29 virus; n = 7 sham), small airway lesions correlated with tissue damping (rs = 0.69) but not with Newtonian resistance (rs = 0.23), and Newtonian resistance was not elevated compared with control rats, indicating that distal airways were primarily responsible for the airflow obstruction. Older rats (n = 7 virus; n = 6 sham) had persistent small airway dysfunction and significantly increased Newtonian resistance in the postbronchiolitis group. We conclude that viral airway injury at an early age may induce small airway lesions that are associated quantitatively with small airway physiological dysfunction early on and that these defects persist into maturity.

  9. Galaxy Three-point Correlation Functions and Halo/Subhalo Models

    NASA Astrophysics Data System (ADS)

    Guo, Hong; Zheng, Zheng; Behroozi, Peter S.; Zehavi, Idit; Comparat, Johan; Favole, Ginevra; Gottlöber, Stefan; Klypin, Anatoly; Prada, Francisco; Rodríguez-Torres, Sergio A.; Weinberg, David H.; Yepes, Gustavo

    2016-11-01

    We present measurements of the luminosity-dependent redshift-space three-point correlation functions (3PCFs) for the Sloan Digital Sky Survey Data Release 7 Main galaxy sample. We compare the 3PCF measurements to the predictions from three different halo and subhalo models. One is the halo occupation distribution (HOD) model and the other two are extensions of the subhalo abundance matching model by allowing the central and satellite galaxies to have different occupation distributions in the host halos and subhalos. Parameters in all the models are chosen to best describe the projected and redshift-space two-point correlation functions (2PCFs) of the same set of galaxies. All three model predictions agree well with the 3PCF measurements for the most luminous galaxy sample, while the HOD model better performs in matching the 3PCFs of fainter samples (with luminosity threshold below L*), which is similar in trend to the case of fitting the 2PCFs. The decomposition of the model 3PCFs into contributions from different types of galaxy triplets shows that on small scales the dependence of the 3PCFs on triangle shape is driven by nonlinear redshift-space distortion (and not by the intrinsic halo shape) while on large scales it reflects the filamentary structure. The decomposition also reveals more detailed differences in the three models, which are related to the radial distribution, the mean occupation function, and the velocity distribution of satellite galaxies inside halos. The results suggest that galaxy 3PCFs can further help constrain the above galaxy–halo relation and test theoretical models.

  10. Functional and morphological correlates of mandibular symphyseal form in a living human sample.

    PubMed

    Holton, Nathan E; Franciscus, Robert G; Ravosa, Matthew J; Southard, Thomas E

    2014-03-01

    Variation in recent human mandibular form is often thought to reflect differences in masticatory behavior associated with variation in food preparation and subsistence strategies. Nevertheless, while mandibular variation in some human comparisons appear to reflect differences in functional loading, other comparisons indicate that this relationship is not universal. This suggests that morphological variation in the mandible is influenced by other factors that may obscure the effects of loading on mandibular form. It is likely that highly strained mandibular regions, including the corpus, are influenced by well-established patterns of lower facial skeletal integration. As such, it is unclear to what degree mandibular form reflects localized stresses incurred during mastication vs. a larger set of correlated features that may influence bone distribution patterns. In this study, we examine the relationship between mandibular symphyseal bone distribution (i.e., second moments of area, cortical bone area) and masticatory force production (i.e., in vivo maximal bite force magnitude and estimated symphyseal bending forces) along with lower facial shape variation in a sample of n = 20 living human male subjects. Our results indicate that while some aspects of symphyseal form (e.g., wishboning resistance) are significantly correlated with estimates of symphyseal bending force magnitude, others (i.e., vertical bending resistance) are more closely tied to variation in lower facial shape. This suggests that while the symphysis reflects variation in some variables related to functional loading, the complex and multifactorial influences on symphyseal form underscores the importance of exercising caution when inferring function from the mandible especially in narrow taxonomic comparisons.

  11. Modeling heterogeneous materials via two-point correlation functions. II. Algorithmic details and applications.

    PubMed

    Jiao, Y; Stillinger, F H; Torquato, S

    2008-03-01

    In the first part of this series of two papers, we proposed a theoretical formalism that enables one to model and categorize heterogeneous materials (media) via two-point correlation functions S(2) and introduced an efficient heterogeneous-medium (re)construction algorithm called the "lattice-point" algorithm. Here we discuss the algorithmic details of the lattice-point procedure and an algorithm modification using surface optimization to further speed up the (re)construction process. The importance of the error tolerance, which indicates to what accuracy the media are (re)constructed, is also emphasized and discussed. We apply the algorithm to generate three-dimensional digitized realizations of a Fontainebleau sandstone and a boron-carbide/aluminum composite from the two-dimensional tomographic images of their slices through the materials. To ascertain whether the information contained in S(2) is sufficient to capture the salient structural features, we compute the two-point cluster functions of the media, which are superior signatures of the microstructure because they incorporate topological connectedness information. We also study the reconstruction of a binary laser-speckle pattern in two dimensions, in which the algorithm fails to reproduce the pattern accurately. We conclude that in general reconstructions using S(2) only work well for heterogeneous materials with single-scale structures. However, two-point information via S(2) is not sufficient to accurately model multiscale random media. Moreover, we construct realizations of hypothetical materials with desired structural characteristics obtained by manipulating their two-point correlation functions.

  12. Particle relaxation and its influence on the particle image velocimetry cross-correlation function

    NASA Astrophysics Data System (ADS)

    Mitchell, Daniel; Honnery, Damon; Soria, Julio

    2011-10-01

    A study of some aspects of tracer particle responses to step changes in fluid velocity is presented. The effect of size distribution within a seed material on measured relaxation time is examined, with polydisperse particles of the same median diameter shown to possess a significantly higher relaxation time than their monodisperse counterparts when measured via a particle image velocimetry algorithm. The influence of a shock wave-induced velocity gradient within a PIV interrogation window on the correlation function is also examined using the noiseless cross-correlation function of Soria (Turbulence and coherent structures in fluids, plasmas and nonlinear media. World Scientific, Singapore, 2006). The presence of a shock is shown to introduce an artificial fluctuation into the measurement of velocity. This fluctuation is a function of the shock position, shock strength, spatial ratio and particle distribution. When the shock is located at the middle of the window, the magnitude of the fluctuation increases monotonically with increasing spatial ratio, increases asymptotically with shock strength, and decreases for increasing particle polydispersity. When the shock is located at the left-hand edge of the window, the magnitude of the artificial fluctuation is highest for intermediate spatial ratios, going to zero at infinitely high and low values. In this instance, particle polydispersity acts to increase the magnitude of fluctuations in measured velocity. In both cases, particle polydispersity serves to broaden the PDF of measured velocity. For the cases presented herein, with a shock located within the interrogation window, the root mean square of the artificial velocity fluctuations reaches values in excess of 30% of the freestream velocity.

  13. Functional correlates of cognitive dysfunction in multiple sclerosis: A multicenter fMRI Study.

    PubMed

    Rocca, Maria A; Valsasina, Paola; Hulst, Hanneke E; Abdel-Aziz, Khaled; Enzinger, Christian; Gallo, Antonio; Pareto, Debora; Riccitelli, Gianna; Muhlert, Nils; Ciccarelli, Olga; Barkhof, Frederik; Fazekas, Franz; Tedeschi, Gioacchino; Arévalo, Maria J; Filippi, Massimo

    2014-12-01

    In this multicenter study, we applied functional magnetic resonance imaging (fMRI) to define the functional correlates of cognitive dysfunction in patients with multiple sclerosis (MS). fMRI scans during the performance of the N-back task were acquired from 42 right-handed relapsing remitting (RR) MS patients and 52 sex-matched right-handed healthy controls, studied at six European sites using 3.0 Tesla scanners. Patients with at least two abnormal (<2 standard deviations from the normative values) neuropsychological tests at a standardized evaluation were considered cognitively impaired (CI). FMRI data were analyzed using the SPM8 software, modeling regions showing load-dependent activations/deactivations with increasing task difficulty. Twenty (47%) MS patients were CI. During the N-back load condition, compared to controls and CI patients, cognitively preserved (CP) patients had increased recruitment of the right dorsolateral prefrontal cortex. As a function of increasing task difficulty, CI MS patients had reduced activations of several areas located in the fronto-parieto-temporal lobes as well as reduced deactivations of regions which are part of the default mode network compared to the other two groups. Significant correlations were found between abnormal fMRI patterns of activations and deactivations and behavioral measures, cognitive performance, and brain T2 and T1 lesion volumes. This multicenter study supports the theory that a preserved fMRI activity of the frontal lobe is associated with a better cognitive profile in MS patients. It also indicates the feasibility of fMRI to monitor disease evolution and treatment effects in future studies.

  14. Fine-tuning function: correlation of hinge domain interactions with functional distinctions between LacI and PurR.

    PubMed

    Swint-Kruse, Liskin; Larson, Christopher; Pettitt, B Montgomery; Matthews, Kathleen Shive

    2002-04-01

    LacI and PurR are highly homologous proteins. Their functional units are homodimers, with an N-terminal DNA binding domain that comprises the helix-turn-helix (HTH), N-linker, and hinge regions from both monomers. Hinge structural changes are known to occur upon DNA dissociation but are difficult to monitor experimentally. The initial steps of hinge unfolding were therefore examined using molecular dynamics simulations, utilizing a truncated, chimeric protein comprising the LacI HTH/N-linker and PurR hinge. A terminal Gly-Cys-Gly was added to allow "dimerization" through disulfide bond formation. Simulations indicate that differences in LacI and PurR hinge primary sequence affect the quaternary structure of the hinge x hinge' interface. However, these alternate hinge orientations would be sterically restricted by the core domain. These results prompted detailed comparison of recently available DNA-bound structures for LacI and truncated LacI(1-62) with the PurR structure. Examination revealed that different N-linker and hinge contacts to the core domain of the partner monomer (which binds effector molecule) affect the juxtapositions of the HTH, N-linker, and hinge regions in the DNA binding domain. In addition, the two full-length repressors exhibit significant differences in the interactions between the core and the C-linker connection to the DNA binding domain. Both linkers and the hinge have been implicated in the allosteric response of these repressors. Intriguingly, one functional difference between these two proteins is that they exhibit opposite allosteric response to effector. Simulations and observed structural distinctions are correlated with mutational analysis and sequence information from the LacI/GalR family to formulate a mechanism for fine-tuning individual repressor function.

  15. COPD phenotypes on computed tomography and its correlation with selected lung function variables in severe patients

    PubMed Central

    da Silva, Silvia Maria Doria; Paschoal, Ilma Aparecida; De Capitani, Eduardo Mello; Moreira, Marcos Mello; Palhares, Luciana Campanatti; Pereira, Mônica Corso

    2016-01-01

    Background Computed tomography (CT) phenotypic characterization helps in understanding the clinical diversity of chronic obstructive pulmonary disease (COPD) patients, but its clinical relevance and its relationship with functional features are not clarified. Volumetric capnography (VC) uses the principle of gas washout and analyzes the pattern of CO2 elimination as a function of expired volume. The main variables analyzed were end-tidal concentration of carbon dioxide (ETCO2), Slope of phase 2 (Slp2), and Slope of phase 3 (Slp3) of capnogram, the curve which represents the total amount of CO2 eliminated by the lungs during each breath. Objective To investigate, in a group of patients with severe COPD, if the phenotypic analysis by CT could identify different subsets of patients, and if there was an association of CT findings and functional variables. Subjects and methods Sixty-five patients with COPD Gold III–IV were admitted for clinical evaluation, high-resolution CT, and functional evaluation (spirometry, 6-minute walk test [6MWT], and VC). The presence and profusion of tomography findings were evaluated, and later, the patients were identified as having emphysema (EMP) or airway disease (AWD) phenotype. EMP and AWD groups were compared; tomography findings scores were evaluated versus spirometric, 6MWT, and VC variables. Results Bronchiectasis was found in 33.8% and peribronchial thickening in 69.2% of the 65 patients. Structural findings of airways had no significant correlation with spirometric variables. Air trapping and EMP were strongly correlated with VC variables, but in opposite directions. There was some overlap between the EMP and AWD groups, but EMP patients had signicantly lower body mass index, worse obstruction, and shorter walked distance on 6MWT. Concerning VC, EMP patients had signicantly lower ETCO2, Slp2 and Slp3. Increases in Slp3 characterize heterogeneous involvement of the distal air spaces, as in AWD. Conclusion Visual assessment and

  16. Erectile function in men with diabetes type 2: correlation with glycemic control.

    PubMed

    Awad, H; Salem, A; Gadalla, A; El Wafa, N Abou; Mohamed, O A

    2010-01-01

    Men with diabetes have an increased risk for erectile dysfunction (ED) than those without diabetes. The diabetes control and complications trial clearly showed that better long-term control of blood glucose in diabetes type 1 is associated with decreased frequency and delayed the onset of microvascular complications. The aim of this study is to explore the role of glycemic control, and its correlation to sexual function in patients with diabetes type 2. One hundred patients were selected for the study according to the following criteria: all the cases were presenting with diabetes type 2 as a single risk factor for ED, age being between 35 and 50 years and free of liver and kidney failure, and blood dyscrasis. The selected patients were evaluated for sexual function by asking the patients to complete the abridged form of the International Index of Erectile Function (IIEF). The evaluation of glycemic control was based on the measurement of hemoglobin A(1c) (HbA(1c)) values. Our results showed that the level of HbA(1c) is significantly higher with declining degrees of potency (P-value=0.003). Also, there is an association between potency degree and glycemic control (P=0.002). We conclude that glycemic control is independently and inversely associated with ED in men with diabetes type 2.

  17. Correlation of Theory and Function in Well-Defined Bimetallic Electrocatalysts - Final Report

    SciTech Connect

    Crooks, Richard M.

    2014-06-05

    The objective of this research proposal was to correlate the structure of nanoparticles that are comprised of ~100-200 atoms to their electrocatalytic function. This objective was based on the growing body of evidence suggesting that catalytic properties can be tailored through controlled synthesis of nanoparticles. What has been missing from many of these studies, and what we are contributing, is a model catalyst that is sufficiently small, structurally well-defined, and well-characterized that its function can be directly predicted by theory. Specifically, our work seeks to develop a fundamental and detailed understanding of the relationship between the structure of nanoscopic oxygen-reduction catalysts and their function. We assembled a team with expertise in theory, synthesis, and advanced characterization methods to address the primary objective of this project. We anticipated the outcomes of the study to be: (1) a better theoretical understanding of how nanoparticle structure affects catalytic properties; (2) the development of advanced, in-situ and ex-situ, atomic-scale characterization methods that are appropriate for particles containing about 100 atoms; and (3) improved synthetic methods that produce unique nanoparticle structures that can be used to test theoretical predictions. During the project period, we have made excellent progress on all three fronts.

  18. Accurate Zero Parameter Correlation Energy Functional Obtained from the Homogeneous Electron Gas with an Energy Gap

    NASA Astrophysics Data System (ADS)

    Krieger, J. B.; Chen, Jiqiang; Iafrate, G. J.; Savin, A.

    1998-03-01

    We have obtained an analytic approximation to E_c(r_g, ζ,G) where G is an energy gap separating the occupied and unoccupied states of a homogeneous electron gas for ζ=3D0 and ξ=3D1. When G=3D0, E_c(r_g, ζ) reduces to the usual LSD result. This functional is employed in calculating correlation energies for unpolarized atoms and ions for Z <= 18 by taking G[n]=3D1/8|nabla ln n|^2, which reduces to the ionization energy in the large r limit in an exact Kohn-Sham (KS) theory. The resulting functional is self-interaction-corrected employing a method which is invariant under a unitary transformation. We find that the application of this approach to the calculation of the Ec functional reduces the error in the LSD result by more than 95%. When the value of G is approximately corrected to include the effect of higher lying unoccupied localized states, the resulting values of Ec are within a few percent of the exact results.

  19. Structural and Functional Brain Correlates of Cognitive Impairment in Euthymic Patients with Bipolar Disorder

    PubMed Central

    Goikolea, José M.; Bonnin, Caterina M.; Sarró, Salvador; Segura, Barbara; Amann, Benedikt L.; Monté, Gemma C.; Moro, Noemi; Fernandez-Corcuera, Paloma; Maristany, Teresa; Salvador, Raymond; Vieta, Eduard; Pomarol-Clotet, Edith; McKenna, Peter J.

    2016-01-01

    Introduction Cognitive impairment in the euthymic phase is a well-established finding in bipolar disorder. However, its brain structural and/or functional correlates are uncertain. Methods Thirty-three euthymic bipolar patients with preserved memory and executive function and 28 euthymic bipolar patients with significant memory and/or executive impairment, as defined using two test batteries, the Rivermead Behavioural Memory Test (RBMT) and the Behavioural Assessment of the Dysexecutive Syndrome (BADS), plus 28 healthy controls underwent structural MRI using voxel-based morphometry (VBM). Twenty-seven of the cognitively preserved patients, 23 of the cognitively impaired patients and 28 controls also underwent fMRI during performance of the n-back working memory task. Results No clusters of grey or white matter volume difference were found between the two patient groups. During n-back performance, the cognitively impaired patients showed hypoactivation compared to the cognitively preserved patients in a circumscribed region in the right dorsolateral prefrontal cortex. Both patient groups showed failure of de-activation in the medial frontal cortex compared to the healthy controls. Conclusions Cognitive impairment in euthymic bipolar patients appears from this study to be unrelated to structural brain abnormality, but there was some evidence for an association with altered prefrontal function. PMID:27448153

  20. Neutrophilic Bronchial Inflammation Correlates with Clinical and Functional Findings in Patients with Noncystic Fibrosis Bronchiectasis

    PubMed Central

    Dente, Federico L.; Bilotta, Marta; Bartoli, Maria Laura; Bacci, Elena; Cianchetti, Silvana; Latorre, Manuela; Malagrinò, Laura; Nieri, Dario; Roggi, Maria Adelaide; Vagaggini, Barbara; Paggiaro, Pierluigi

    2015-01-01

    Background. Neutrophilic bronchial inflammation is a main feature of bronchiectasis, but not much is known about its relationship with other disease features. Aim. To compare airway inflammatory markers with clinical and functional findings in subjects with stable noncystic fibrosis bronchiectasis (NCFB). Methods. 152 NFCB patients (62.6 years; females: 57.2%) underwent clinical and functional cross-sectional evaluation, including microbiologic and inflammatory cell profile in sputum, and exhaled breath condensate malondialdehyde (EBC-MDA). NFCB severity was assessed using BSI and FACED criteria. Results. Sputum neutrophil percentages inversely correlated with FEV1 (P < 0.0001; rho = −0.428), weakly with Leicester Cough Questionnaire score (P = 0.068; rho = −0.58), and directly with duration of the disease (P = 0.004; rho = 0.3) and BSI severity score (P = 0.005; rho = 0.37), but not with FACED. Sputum neutrophilia was higher in colonized subjects, P. aeruginosa colonized subjects showing greater sputum neutrophilia and lower FEV1. Patients with ≥3 exacerbations in the last year showed a significantly greater EBC-MDA than the remaining patients. Conclusions. Sputum neutrophilic inflammation and biomarkers of oxidative stress in EBC can be considered good biomarkers of disease severity in NCFB patients, as confirmed by pulmonary function, disease duration, bacterial colonization, BSI score, and exacerbation rate. PMID:26819500

  1. Correlative morphologic and functional imaging for diagnosis, staging and follow up in AIDS: an overview.

    PubMed

    Brunetti, A; Soricelli, A; Rotondo, A; Alfano, B; Raman, R; Celentano, L; Di Chiro, G; Salvatore, M

    1995-09-01

    The immunocompromised patient can be affected by different opportunistic infections and tumors, that can involve all organ systems, and particularly, the central nervous system, the respiratory system, the gastrointestinal tract. The extreme variability of AIDS presentations requires a specific preparation and cooperation between the different diagnostic imaging specialists and a close collaboration with the clinicians. With AIDS, different morphologic and functional imaging techniques can be used for detection of disease sites, assessment of the extent of the disease and monitoring of disease changes over time and response to treatment. The complexity of AIDS presentations is such that full integration of the complementary information obtained with different techniques could be most useful. Image registration (coregistration, fusion) indicates approaches where precise spatial cross-references are obtained, in order to combine the information acquired with different imaging modalities, in particular by blending morphologic CT/MRI data with functional SPET/PET data. In this paper, an overview of the developments in the field of "image fusion" follows some comments on the results of morphologic and functional assessment of brain, chest and abdominal diseases in the course of AIDS, as illustrative examples of the potential benefits of multimodality image correlation.

  2. Performance of the OP correlation functional in relation to its formulation: Influence of the exchange component and the effect of incorporating same-spin correlations.

    PubMed

    Chan, Bun; Song, Jong-Won; Kawashima, Yukio; Hirao, Kimihiko

    2016-05-30

    In the present study, we have investigated two significant features of the OP correlation functional, namely the incorporation of the exchange functional into itself, and the inclusion of only opposite-spin (OS) effects. To explore the latter feature, we have compared OP with B95 and a new functional introduced in the present study - the OPB method that combines OP with the same-spin (SS) component of B95. In general, we find that B95 and OPB perform comparably. Our comparisons of the various DFT procedures suggest that the incorporation of a meta-GGA (e.g., TPSS) into OP and OPB does not necessarily lead to a chemically more accurate procedure than the use of a related GGA (e.g., PBE). An important finding is the more notable (and somewhat more consistent) improvement in performance with the incorporation of SS correlation, particularly for longer-range chemical properties. Nonetheless, on average across our test sets of over 800 systems, the difference between the performances of OP versus B95 or OPB is not exceedingly large. By drawing a parallel between these DFT methods and the wavefunction scaled-MP2-type methods, we reason that one can further develop the OP functional, and perhaps a wider range of correlation functionals by combining it with the technique of range separation. PMID:26931189

  3. The multitime correlation functions, free white noise, and the generalized Poisson statistics in the low density limit

    SciTech Connect

    Pechen, A.N.

    2006-03-15

    In the present paper the low density limit of the nonchronological multitime correlation functions of boson number type operators is investigated. We prove that the limiting truncated nonchronological correlation functions can be computed using only a subclass of diagrams associated to noncrossing pair partitions and thus coincide with nontruncated correlation functions of suitable free number operators. The independent in the limit subalgebras are found and the limiting statistics is investigated. In particular, it is found that the cumulants of certain elements coincide in the limit with the cumulants of the Poisson distribution. An explicit representation of the limiting correlation functions and thus of the limiting algebra is constructed in a special case through suitably defined quantum white noise operators.

  4. Individual Variability in Sensorimotor Network Functional Connectivity Correlates With the Rate of Early Visuomotor Adaptation

    NASA Technical Reports Server (NTRS)

    Cassady, K.; Ruitenberg, M.; Koppelmans, V.; DeDios, Y.; Gadd, N.; Wood, S.; Reuter-Lorenz, P.; Riascos, R.; Kofman, I.; Bloomberg, J.; Mulavara, A.; Seidler, R.

    2016-01-01

    Sensorimotor adaptation is a type of procedural motor learning that enables individuals to preserve accurate movements in the presence of external or internal perturbations. Adaptation learning can be divided into an early, more cognitively demanding stage, and a later, more automatic stage. In recent years, several investigations have identified significant associations between sensorimotor adaptation and brain structure and function. However, the question of whether individual variability in functional connectivity strength is predictive of sensorimotor adaptation performance has been largely unaddressed. In the present study, we investigate whether such variability in early sensorimotor adaptation is associated with individual differences in resting-state functional connectivity. We used resting state functional magnetic resonance imaging (rs-fMRI) to estimate functional connectivity strength using hypothesis-driven (seed-to-voxel) and hypothesis-free (voxel-to-voxel) approaches. For the hypothesis-driven analysis, we selected several regions of interest (ROIs) from sensorimotor and default mode networks of the brain. We then correlated these connectivity measures with the rate of early learning during a visuomotor adaptation task in 16 healthy participants. For this task, participants lay supine in the MRI scanner and moved an MRI-compatible dual axis joystick with their right hand to hit targets presented on a screen. Each movement was initiated from the central position on the display screen. Participants were instructed to move the cursor to the target as quickly as possible by moving the joystick, and to hold the cursor within the target until it disappeared. They were then instructed to release the joystick handle after target disappearance, allowing the cursor to re-center for the next trial. Performance was assessed by measuring direction error (DE), defined as the angle between the line from the start to the target position, and the line from the start

  5. A spectral correlation function for efficient sequential NMR assignments of uniformly (15)N-labeled proteins.

    PubMed

    Bartels, C; Wüthrich, K

    1994-11-01

    A new computer-based approach is described for efficient sequence-specific assignment of uniformly (15)N-labeled proteins. For this purpose three-dimensional (15)N-correlated [(1)H, (1)H]-NOESY spectra are divided up into two-dimensional (1)H-(1)H strips which extend over the entire spectral width along one dimension and have a width of ca. 100 Hz, centered about the amide proton chemical shifts along the other dimension. A spectral correlation function enables sorting of these strips according to proximity of the corresponding residues in the amino acid sequence. Thereby, starting from a given strip in the spectrum, the probability of its corresponding to the C-terminal neighboring residue is calculated for all other strips from the similarity of their peak patterns with a pattern predicted for the sequentially adjoining residue, as manifested in the scalar product of the vectors representing the predicted and measured peak patterns. Tests with five different proteins containing both α-helices and β-sheets, and ranging in size from 58 to 165 amino acid residues show that the discrimination achieved between the sequentially neighboring residue and all other residues compares well with that obtained with an unguided interactive search of pairs of sequentially neighboring strips, with important savings in the time needed for complete analysis of 3D (15)N-correlated [(1)H, (1)H]-NOESY spectra. The integration of this routine into the program package XEASY ensures that remaining ambiguities can be resolved by visual inspection of the strips, combined with reference to the amino acid sequence and information on spin-system types obtained from additional NMR spectra.

  6. Correlation between the wear resistance of Cu-Ni alloy and its electron work function

    NASA Astrophysics Data System (ADS)

    Huang, X. C.; Lu, H.; He, H. B.; Yan, X. G.; Li, D. Y.

    2015-12-01

    This article reports our studies on the performance of isomorphous Cu-Ni alloy during sliding and erosive wear processes with attempt to correlate its wear behaviour with the electron work function (EWF). EWF, mechanical behaviour and wear resistance of the Cu-Ni alloy with respect to the concentration of Ni were measured using ultraviolet photoelectron spectroscopy, micro-indenter, pin-on-disc and air-jet testers, respectively. It was demonstrated that EWF, hardness and Young's modulus of the alloy increased as the concentration of Ni increased. During solid-particle erosion tests, the wear resistance of the alloy was enhanced with an increase in the Ni concentration, corresponding to an increase in EWF. However, an opposite trend was observed during sliding wear tests, which was ascribed to the formation of oxide scale that affected the sliding wear resistance.

  7. Evolution of the galaxy correlation function at redshifts 0.2 < z < 3

    NASA Astrophysics Data System (ADS)

    Sołtan, Andrzej M.

    2016-10-01

    We determine the auto-correlation function (ACF) of galaxies using massive deep galaxy surveys for which distances to individual objects are assessed using photometric redshifts. The method is applied to the 2deg COSMOS survey of ~ 300000 galaxies with i + < 25 and z ph <~ 3. The distance estimates based on photometric redshifts are not sufficiently accurate to be directly used to determine the ACF. Nevertheless, the photometric redshifts carry statistical information on the data distribution on (very) large scales. The investigation of the surface distribution of galaxies in several redshift (=distance) bins allows us to determine the spatial (3D) ACF over the redshift range of 0.2 - 3.2 or look back time of 2.4 - 11.5 Gy.

  8. Large covariance matrices: smooth models from the two-point correlation function

    NASA Astrophysics Data System (ADS)

    O'Connell, Ross; Eisenstein, Daniel; Vargas, Mariana; Ho, Shirley; Padmanabhan, Nikhil

    2016-11-01

    We introduce a new method for estimating the covariance matrix for the galaxy correlation function in surveys of large-scale structure. Our method combines simple theoretical results with a realistic characterization of the survey to dramatically reduce noise in the covariance matrix. For example, with an investment of only ≈1000 CPU hours we can produce a model covariance matrix with noise levels that would otherwise require ˜35 000 mocks. Non-Gaussian contributions to the model are calibrated against mock catalogues, after which the model covariance is found to be in impressive agreement with the mock covariance matrix. Since calibration of this method requires fewer mocks than brute force approaches, we believe that it could dramatically reduce the number of mocks required to analyse future surveys.

  9. Random phase approximation correlation energy using a compact representation for linear response functions: application to solids

    NASA Astrophysics Data System (ADS)

    Kaoui, Fawzi; Rocca, Dario

    2016-01-01

    A new approach was recently presented to compute correlation energies within the random phase approximation using Lanczos chains and an optimal basis set (Rocca 2014 J. Chem. Phys. 140 18A501). This novel method avoids the explicit calculation of conduction states and represents linear response functions on a compact auxiliary basis set obtained from the diagonalization of an approximate dielectric matrix that contains only the kinetic energy contribution. Here, we extend this formalism, originally implemented for molecular systems, to treat periodic solids. In particular, the approximate dielectric matrix used to build the auxiliary basis set is generalized to avoid unphysical negative gaps, that make the model inefficient. The numerical convergence of the method is discussed and the accuracy is demonstrated considering a set including three covalently bonded (C, Si, and SiC) and three weakly bonded (Ne, Ar, and Kr) solids.

  10. Dynamic correlation functions and Boltzmann-Langevin approach for driven one-dimensional lattice gas.

    PubMed

    Pierobon, Paolo; Parmeggiani, Andrea; von Oppen, Felix; Frey, Erwin

    2005-09-01

    We study the dynamics of the totally asymmetric exclusion process with open boundaries by phenomenological theories complemented by extensive Monte Carlo simulations. Upon combining domain wall theory with a kinetic approach known as Boltzmann-Langevin theory we are able to give a complete qualitative picture of the dynamics in the low- and high-density regimes and at the corresponding phase boundary. At the coexistence line between high- and low-density phases we observe a time scale separation between local density fluctuations and collective domain wall motion, which are well accounted for by the Boltzmann-Langevin and domain wall theory, respectively. We present Monte Carlo data for the correlation functions and power spectra in the full parameter range of the model.

  11. Structural and functional analysis of single neurons to correlate synaptic connectivity with grooming behavior.

    PubMed

    Kays, Ibrahim; Cvetkovska, Vedrana; Chen, Brian E

    2014-01-01

    We describe a protocol to image the complex axonal branching structure of identified mechanosensory neurons in Drosophila, combined with a behavioral assay to evaluate the functional output of the neuron. The stimulation of identified mechanosensory neurons in live animals produces a stereotyped grooming reflex. The mechanosensory axonal arbor within the CNS is subsequently labeled with a lipophilic fluorescent dye and imaged by fluorescence microscopy. The behavioral output can therefore be correlated to the axonal morphology of the stimulated neuron in the same animal. Combining this protocol with genetic analysis provides a powerful tool for identifying the roles of molecules involved in different aspects of hard-wired neural circuit formation underlying an innate behavior. From behavioral analysis to axonal imaging, the protocol takes 4 d.

  12. Measurement of two-point two-velocity correlation functions in the ion phase-space

    NASA Astrophysics Data System (ADS)

    Skiff, Fred

    2008-11-01

    Using two single frequency tunable lasers we generalize the technique used previously to measure two-point correlation functions to allow two different selected velocities as well. A steady-state singly-ionized Argon plasma with density 10^9 cm-3, electron temperature of 2 eV, and ion temperature of 0.1 eV in a uniformly magnetized plasma cylinder is produced using a CW radio-frequency source. The plasma column is 10 cm in diameter and the main chamber is 200 cm in length. The measurements concern the low-frequency electrostatic fluctuations that occur naturally near the electron drift frequency driven by the radial electron temperature gradient. Two independent LIF systems, with detection systems on movable carriages, are scanned using computer-controlled stepper motors. One system involves a Argon-ion pumped single-frequency dye laser at 611nm with detection at 461 nm. The second system uses a single-frequency tunable diode laser at 668nm with detection at 443nm. By looking at cross-correlation between the two detection systems it is a measurement of is realized. We will describe the tests and validations used to rule out instrumental effects on the measurement and compare the results to previous measurements of made using a single laser beam.

  13. Segregation of Acetylcholine and GABA in the Rat Superior Cervical Ganglia: Functional Correlation

    PubMed Central

    Elinos, Diana; Rodríguez, Raúl; Martínez, Luis Andres; Zetina, María Elena; Cifuentes, Fredy; Morales, Miguel Angel

    2016-01-01

    Sympathetic neurons have the capability to segregate their neurotransmitters (NTs) and co-transmitters to separate varicosities of single axons; furthermore, in culture, these neurons can even segregate classical transmitters. In vivo sympathetic neurons employ acetylcholine (ACh) and other classical NTs such as gamma aminobutyric acid (GABA). Herein, we explore whether these neurons in vivo segregate these classical NTs in the superior cervical ganglia of the rat. We determined the topographical distribution of GABAergic varicosities, somatic GABAA receptor, as well as the regional distribution of the segregation of ACh and GABA. We evaluated possible regional differences in efficacy of ganglionic synaptic transmission, in the sensitivity of GABAA receptor to GABA and to the competitive antagonist picrotoxin (PTX). We found that sympathetic preganglionic neurons in vivo do segregate ACh and GABA. GABAergic varicosities and GABAA receptor expression showed a rostro-caudal gradient along ganglia; in contrast, segregation exhibited a caudo-rostral gradient. These uneven regional distributions in expression of GABA, GABAA receptors, and level of segregation correlate with stronger synaptic transmission found in the caudal region. Accordingly, GABAA receptors of rostral region showed larger sensitivity to GABA and PTX. These results suggest the presence of different types of GABAA receptors in each region that result in a different regional levels of endogenous GABA inhibition. Finally, we discuss a possible correlation of these different levels of GABA modulation and the function of the target organs innervated by rostral and caudal ganglionic neurons. PMID:27092054

  14. Behavioral and Neural Correlates of Executive Functioning in Musicians and Non-Musicians

    PubMed Central

    Zuk, Jennifer; Benjamin, Christopher; Kenyon, Arnold; Gaab, Nadine

    2014-01-01

    Executive functions (EF) are cognitive capacities that allow for planned, controlled behavior and strongly correlate with academic abilities. Several extracurricular activities have been shown to improve EF, however, the relationship between musical training and EF remains unclear due to methodological limitations in previous studies. To explore this further, two experiments were performed; one with 30 adults with and without musical training and one with 27 musically trained and untrained children (matched for general cognitive abilities and socioeconomic variables) with a standardized EF battery. Furthermore, the neural correlates of EF skills in musically trained and untrained children were investigated using fMRI. Adult musicians compared to non-musicians showed enhanced performance on measures of cognitive flexibility, working memory, and verbal fluency. Musically trained children showed enhanced performance on measures of verbal fluency and processing speed, and significantly greater activation in pre-SMA/SMA and right VLPFC during rule representation and task-switching compared to musically untrained children. Overall, musicians show enhanced performance on several constructs of EF, and musically trained children further show heightened brain activation in traditional EF regions during task-switching. These results support the working hypothesis that musical training may promote the development and maintenance of certain EF skills, which could mediate the previously reported links between musical training and enhanced cognitive skills and academic achievement. PMID:24937544

  15. Expression of CD14 correlates with lung function impairment in pulmonary sarcoidosis.

    PubMed

    Pforte, A; Schiessler, A; Gais, P; Beer, B; Ehlers, M; Schütt, C; Ziegler-Heitbrock, H W

    1994-02-01

    CD14 expression on alveolar macrophages (AM) was studied in patients with sarcoidosis using immunocytochemistry and cytometric analysis. Compared with healthy control donors, patients had elevated percentages of CD14-positive AM (22 percent vs 34 percent), and the antigen density was threefold higher (92 vs 297 channels). Furthermore, soluble serum CD14 (ssCD14) was significantly elevated in patients with sarcoidosis with an average of 5.3 +/- 1.6 mg/L vs 3.2 +/- 0.7 mg/L in healthy control subjects. Follow-up of one patient, whose lung function test results improved during therapy with corticosteroids, revealed a concomitant decrease of CD14 staining on AM and of ssCD14. Statistical analysis revealed a negative correlation between CD14 expression on AM and PO2 at rest (p = 0.0005), and after labor (p = 0.02). Levels of ssCD14 gave a positive correlation to reduction of Dco (p = 0.006) and VC (p = 0.05). These data suggest that CD14 expression is related to severity of disease and that it may be useful for monitoring in sarcoidosis. PMID:7508361

  16. Behavioral and neural correlates of executive functioning in musicians and non-musicians.

    PubMed

    Zuk, Jennifer; Benjamin, Christopher; Kenyon, Arnold; Gaab, Nadine

    2014-01-01

    Executive functions (EF) are cognitive capacities that allow for planned, controlled behavior and strongly correlate with academic abilities. Several extracurricular activities have been shown to improve EF, however, the relationship between musical training and EF remains unclear due to methodological limitations in previous studies. To explore this further, two experiments were performed; one with 30 adults with and without musical training and one with 27 musically trained and untrained children (matched for general cognitive abilities and socioeconomic variables) with a standardized EF battery. Furthermore, the neural correlates of EF skills in musically trained and untrained children were investigated using fMRI. Adult musicians compared to non-musicians showed enhanced performance on measures of cognitive flexibility, working memory, and verbal fluency. Musically trained children showed enhanced performance on measures of verbal fluency and processing speed, and significantly greater activation in pre-SMA/SMA and right VLPFC during rule representation and task-switching compared to musically untrained children. Overall, musicians show enhanced performance on several constructs of EF, and musically trained children further show heightened brain activation in traditional EF regions during task-switching. These results support the working hypothesis that musical training may promote the development and maintenance of certain EF skills, which could mediate the previously reported links between musical training and enhanced cognitive skills and academic achievement. PMID:24937544

  17. Herschel-ATLAS: The Angular Correlation Function of Submillimetre Galaxies at High and Low Redshift

    NASA Technical Reports Server (NTRS)

    Maddox, S. J.; Dunne, L.; Rigby, E.; Eales, S.; Cooray, A.; Scott, D.; Peacock, J. A.; Negrello, M.; Smith, D. J. B.; Benford, D.; Amblard, A.; Auld, R.; Baes, M.; Bonfield, D.; Burgarella, D.; Buttiglione, S.; Cava, A.; Clements, D.; Dariush, A.; deZotti, G.; Dye, S.; Frayer, D.; Fritz, J.; Gonzalez-Nuevo, J.; Herranz, D.

    2010-01-01

    We present measurements of the angular correlation function of galaxies selected from the first field of the H-ATLAS survey. Careful removal of the background from galactic cirrus is essential, and currently dominates the uncertainty in our measurements. For our 250 micrometer-selected sample we detect no significant clustering, consistent with the expectation that the 250 pm-selected sources are mostly normal galaxies at z < or equal to 1. For our 350 micrometer and 500 micrometer-selected samples we detect relatively strong clustering with correlation amplitudes A of 0.2 and 1.2 at 1', but with relatively large uncertainties. For samples which preferentially select high redshift galaxies at z approx. 2-3 we detect significant strong clustering, leading to an estimate of r(0) approx. 7-11/h Mpc. The slope of our clustering measurements is very steep. delta approx. 2. The measurements are consistent with the idea that sub-mm sources consist of a low redshift population of normal galaxies and a high redshift population of highly clustered star-bursting galaxies.

  18. Midtarsal break variation in modern humans: Functional causes, skeletal correlates, and paleontological implications.

    PubMed

    DeSilva, J M; Bonne-Annee, R; Swanson, Z; Gill, C M; Sobel, M; Uy, J; Gill, S V

    2015-04-01

    The midtarsal break was once treated as a dichotomous, non-overlapping trait present in the foot of non-human primates and absent in humans. Recent work indicates that there is considerable variation in human midfoot dorsiflexion, with some overlap with the ape foot. These findings have called into question the uniqueness of the human lateral midfoot, and the use of osteological features in fossil hominins to characterize the midfoot of our extinct ancestors. Here, we present data on plantar pressure and pedal mechanics in a large sample of adults and children (n = 671) to test functional hypotheses concerning variation in midfoot flexibility. Lateral midfoot peak plantar pressure correlates with both sagittal plane flexion at the lateral tarsometatarsal joint, and dorsiflexion at the hallucal metatarsophalangeal joint. The latter finding suggests that midfoot laxity may compromise hallucal propulsion. Multiple regression statistics indicate that a low arch and pronation of the foot explain 40% of variation in midfoot peak plantar pressure, independent of age and BMI. MRI scans on a small subset of study participants (n = 19) reveals that curvature of the base of the 4th metatarsal correlates with lateral midfoot plantar pressure and that specific anatomies of foot bones do indeed reflect relative midfoot flexibility. However, while the shape of the base of the 4th metatarsal may reliably reflect midfoot mobility in individual hominins, given the wide range of overlapping variation in midfoot flexibility in both apes and humans, we caution against generalizing foot function in extinct hominin species until larger fossils samples are available.

  19. Functional correlates of likelihood and prior representations in a virtual distance task.

    PubMed

    Wiener, Martin; Michaelis, Kelly; Thompson, James C

    2016-09-01

    Spatial navigation is an imperative cognitive function, in which individuals must interact with their environment in order to accurately reach a destination. Previous research has demonstrated that, when traveling a predetermined distance, humans must balance between noise in the measurement process and the prior history of traveled distances. This tradeoff has recently been formally described using Bayesian estimation; however, the neural correlates of Bayesian estimation during distance reproduction have yet to be investigated. Here, human subjects performed a virtual reality distance reproduction task during functional Magnetic Resonance Imaging (fMRI), in which they were required to reproduce various traveled distances in the absence of overt navigational cues. As previously demonstrated, subjects exhibited a central tendency effect, wherein reproduced distances gravitated to the mean of the stimulus set. fMRI activity during this task revealed distance-sensitive activity in a network of regions, including prefrontal and hippocampal regions. Using a computational index of central tendency, we found that activity in the retrosplenial cortex, a region highly implicated in spatial navigation, negatively covaried between subjects with the degree of central tendency observed; conversely, we found that activity in the anterior hippocampus/amygdala complex was positively correlated with the central tendency effect of gravitating to the average reproduced distance. These findings suggest dissociable roles for the retrosplenial cortex and hippocampal complex during distance reproduction, with both regions coordinating with the prefrontal cortex the influence of prior history of the environment with present experience. Hum Brain Mapp 37:3172-3187, 2016. © 2016 Wiley Periodicals, Inc. PMID:27167875

  20. High Statistics Analysis using Anisotropic Clover Lattices: (I) Single Hadron Correlation Functions

    SciTech Connect

    Will Detmold,Konstantinos Orginos,Silas R. Beane,Will Detmold,William Detmold,Thomas C. Luu,Konstantinos Orginos,Assumpta Parreno,Martin J. Savage,Aaron Torok,Andre Walker-Loud

    2009-06-01

    We present the results of high-statistics calculations of correlation functions generated with single-baryon interpolating operators on an ensemble of dynamical anisotropic gauge-field configurations generated by the Hadron Spectrum Collaboration using a tadpole-improved clover fermion action and Symanzik-improved gauge action. A total of 292,500 sets of measurements are made using 1194 gauge configurations of size 20^3 x 128 with an anisotropy parameter \\xi= b_s/b_t = 3.5, a spatial lattice spacing of b_s=0.1227\\pm 0.0008 fm, and pion mass of m_\\pi ~ 390 MeV. Ground state baryon masses are extracted with fully quantified uncertainties that are at or below the ~0.2%-level in lattice units. The lowest-lying negative-parity states are also extracted albeit with a somewhat lower level of precision. In the case of the nucleon, this negative-parity state is above the N\\pi threshold and, therefore, the isospin-1/2 \\pi N s-wave scattering phase-shift can be extracted using Luescher's method. The disconnected contributions to this process are included indirectly in the gauge-field configurations and do not require additional calculations. The signal-to-noise ratio in the various correlation functions is explored and is found to degrade exponentially faster than naive expectations on many time-slices. This is due to backward propagating states arising from the anti-periodic boundary conditions imposed on the quark-propagators in the time-direction. We explore how best to distribute computational resources between configuration generation and propagator measurements in order to optimize the extraction of single baryon observables.

  1. High Statistics Analysis using Anisotropic Clover Lattices: (I) Single Hadron Correlation Functions

    SciTech Connect

    Beane, S; Detmold, W; Luu, T; Orginos, K; Parreno, A; Savage, M; Torok, A; Walker-Loud, A

    2009-03-23

    We present the results of high-statistics calculations of correlation functions generated with single-baryon interpolating operators on an ensemble of dynamical anisotropic gauge-field configurations generated by the Hadron Spectrum Collaboration using a tadpole-improved clover fermion action and Symanzik-improved gauge action. A total of 292, 500 sets of measurements are made using 1194 gauge configurations of size 20{sup 3} x 128 with an anisotropy parameter {zeta} = b{sub s}/b{sub t} = 3.5, a spatial lattice spacing of b{sub s} = 0.1227 {+-} 0.0008 fm, and pion mass of M{sub {pi}} {approx} 390 MeV. Ground state baryons masses are extracted with fully quantified uncertainties that are at or below the {approx} 0.2%-level in lattice units. The lowest-lying negative-parity states are also extracted albeit with a somewhat lower level of precision. In the case of the nucleon, this negative-parity state is above the N{pi} threshold and, therefore, the isospin-1/2 {pi}N s-wave scattering phase-shift can be extracted using Luescher's method. The disconnected contributions to this process are included indirectly in the gauge-field configurations and do not require additional calculations. The signal-to-noise ratio in the various correlation functions is explored and is found to degrade exponentially faster than naive expectations on many time-slices. This is due to backward propagating states arising from the anti-periodic boundary conditions imposed on the quark-propagators in the time-direction. We explore how best to distribute computational resources between configuration generation and propagator measurements in order to optimize the extraction of single baryon observables.

  2. High statistics analysis using anisotropic clover lattices: Single hadron correlation functions

    SciTech Connect

    Beane, Silas R.; Torok, Aaron; Detmold, William; Orginos, Kostas; Luu, Thomas C.; Parreno, Assumpta; Savage, Martin J.; Walker-Loud, Andre

    2009-06-01

    We present the results of high-statistics calculations of correlation functions generated with single-baryon interpolating operators on an ensemble of dynamical anisotropic gauge-field configurations generated by the Hadron Spectrum Collaboration using a tadpole-improved clover fermion action and Symanzik-improved gauge action. A total of 292, 500 sets of measurements are made using 1194 gauge configurations of size 20{sup 3}x128 with an anisotropy parameter {xi}=b{sub s}/b{sub t}=3.5, a spatial lattice spacing of b{sub s}=0.1227{+-}0.0008 fm, and pion mass of M{sub {pi}}{approx}390 MeV. Ground state baryon masses are extracted with fully quantified uncertainties that are at or below the {approx}0.2%-level in lattice units. The lowest-lying negative-parity states are also extracted albeit with a somewhat lower level of precision. In the case of the nucleon, this negative-parity state is above the N{pi} threshold and, therefore, the isospin-(1/2) {pi}N s-wave scattering phase-shift can be extracted using Luescher's method. The disconnected contributions to this process are included indirectly in the gauge-field configurations and do not require additional calculations. The signal-to-noise ratio in the various correlation functions is explored and is found to degrade exponentially faster than naive expectations on many time slices. This is due to backward propagating states arising from the antiperiodic boundary conditions imposed on the quark propagators in the time direction. We explore how best to distribute computational resources between configuration generation and propagator measurements in order to optimize the extraction of single baryon observables.

  3. Gray matter volume and executive functioning correlate with time since injury following mild traumatic brain injury.

    PubMed

    Killgore, William D S; Singh, Prabhjyot; Kipman, Maia; Pisner, Derek; Fridman, Andrew; Weber, Mareen

    2016-01-26

    Most people who sustain a mild traumatic brain injury (mTBI) will recover to baseline functioning within a period of several days to weeks. A substantial minority of patients, however, will show persistent symptoms and mild cognitive complaints for much longer. To more clearly delineate how the duration of time since injury (TSI) is associated with neuroplastic cortical volume changes and cognitive recovery, we employed voxel-based morphometry (VBM) and select neuropsychological measures in a cross-sectional sample of 26 patients with mTBI assessed at either two-weeks, one-month, three-months, six-months, or one-year post injury, and a sample of 12 healthy controls. Longer duration of TSI was associated with larger gray matter volume (GMV) within the ventromedial prefrontal cortex (vmPFC) and right fusiform gyrus, and better neurocognitive performance on measures of visuospatial design fluency and emotional functioning. In particular, volume within the vmPFC was positively correlated with design fluency and negatively correlated with symptoms of anxiety, whereas GMV of the fusiform gyrus was associated with greater design fluency and sustained visual psychomotor vigilance performance. Moreover, the larger GMV seen among the more chronic individuals was significantly greater than healthy controls, suggesting possible enlargement of these regions with time since injury. These findings are interpreted in light of burgeoning evidence suggesting that cortical regions often exhibit structural changes following experience or practice, and suggest that with greater time since an mTBI, the brain displays compensatory remodeling of cortical regions involved in emotional regulation, which may reduce distractibility during attention demanding visuo-motor tasks. PMID:26711488

  4. Emotional Availability Modulates Electrophysiological Correlates of Executive Functions in Preschool Children.

    PubMed

    Schneider-Hassloff, Henriette; Zwönitzer, Annabel; Künster, Anne K; Mayer, Carmen; Ziegenhain, Ute; Kiefer, Markus

    2016-01-01

    Executive functions (EFs) - a set of cognitive control abilities - mediate resilience to stress and are associated with academic achievement and health throughout life. They are crucially linked to prefrontal cortex function as well as to other cortical and subcortical brain functions, which are maturing throughout childhood at different rates. Recent behavioral research suggested that children's EFs were related to parenting quality and child attachment security, but the neural correlates of these associations are unknown. With this study we tested in 4- to 6-year-old healthy children (N = 27) how emotional availability (EA) of the mother-child-interaction was associated with behavioral and electrophysiological correlates of response inhibition (a core EF) in a Go/Nogo task, using event-related potential recordings (ERPs), and with behavioral performance in a Delay of Gratification (DoG) and a Head-Toes-Knees-Shoulders task (HTKS). Our data showed that the Go/Nogo task modulated children's ERP components resembling adult electrophysiological indices of response inhibition - the N2 and P3/LPC ERPs-, but the children's N2 and P3/LPC ERPs showed longer latencies. Higher maternal autonomy-fostering behavior and greater child responsiveness were significantly associated with smaller children's N2 Go/Nogo effects at fronto-central and parietal sites and with greater Go/Nogo effects in the N2 time window at occipital sites, over and above children's age and intelligence. Additionally, greater maternal sensitivity and a higher dyadic EA quality of the mother-child-interaction went along with greater occipital Go/Nogo effects in the N2 time window, but this effect clearly diminished when we controlled for children's age and intelligence. Higher maternal autonomy-support was also positively associated with better HTKS performance, and higher dyadic EA quality went along with higher HTKS and DoG scores. However, no significant associations were found between EA variables and

  5. Emotional Availability Modulates Electrophysiological Correlates of Executive Functions in Preschool Children

    PubMed Central

    Schneider-Hassloff, Henriette; Zwönitzer, Annabel; Künster, Anne K.; Mayer, Carmen; Ziegenhain, Ute; Kiefer, Markus

    2016-01-01

    Executive functions (EFs) – a set of cognitive control abilities – mediate resilience to stress and are associated with academic achievement and health throughout life. They are crucially linked to prefrontal cortex function as well as to other cortical and subcortical brain functions, which are maturing throughout childhood at different rates. Recent behavioral research suggested that children’s EFs were related to parenting quality and child attachment security, but the neural correlates of these associations are unknown. With this study we tested in 4- to 6-year-old healthy children (N = 27) how emotional availability (EA) of the mother-child-interaction was associated with behavioral and electrophysiological correlates of response inhibition (a core EF) in a Go/Nogo task, using event-related potential recordings (ERPs), and with behavioral performance in a Delay of Gratification (DoG) and a Head-Toes-Knees-Shoulders task (HTKS). Our data showed that the Go/Nogo task modulated children’s ERP components resembling adult electrophysiological indices of response inhibition - the N2 and P3/LPC ERPs-, but the children’s N2 and P3/LPC ERPs showed longer latencies. Higher maternal autonomy-fostering behavior and greater child responsiveness were significantly associated with smaller children’s N2 Go/Nogo effects at fronto-central and parietal sites and with greater Go/Nogo effects in the N2 time window at occipital sites, over and above children’s age and intelligence. Additionally, greater maternal sensitivity and a higher dyadic EA quality of the mother-child-interaction went along with greater occipital Go/Nogo effects in the N2 time window, but this effect clearly diminished when we controlled for children’s age and intelligence. Higher maternal autonomy-support was also positively associated with better HTKS performance, and higher dyadic EA quality went along with higher HTKS and DoG scores. However, no significant associations were found between

  6. Emotional Availability Modulates Electrophysiological Correlates of Executive Functions in Preschool Children.

    PubMed

    Schneider-Hassloff, Henriette; Zwönitzer, Annabel; Künster, Anne K; Mayer, Carmen; Ziegenhain, Ute; Kiefer, Markus

    2016-01-01

    Executive functions (EFs) - a set of cognitive control abilities - mediate resilience to stress and are associated with academic achievement and health throughout life. They are crucially linked to prefrontal cortex function as well as to other cortical and subcortical brain functions, which are maturing throughout childhood at different rates. Recent behavioral research suggested that children's EFs were related to parenting quality and child attachment security, but the neural correlates of these associations are unknown. With this study we tested in 4- to 6-year-old healthy children (N = 27) how emotional availability (EA) of the mother-child-interaction was associated with behavioral and electrophysiological correlates of response inhibition (a core EF) in a Go/Nogo task, using event-related potential recordings (ERPs), and with behavioral performance in a Delay of Gratification (DoG) and a Head-Toes-Knees-Shoulders task (HTKS). Our data showed that the Go/Nogo task modulated children's ERP components resembling adult electrophysiological indices of response inhibition - the N2 and P3/LPC ERPs-, but the children's N2 and P3/LPC ERPs showed longer latencies. Higher maternal autonomy-fostering behavior and greater child responsiveness were significantly associated with smaller children's N2 Go/Nogo effects at fronto-central and parietal sites and with greater Go/Nogo effects in the N2 time window at occipital sites, over and above children's age and intelligence. Additionally, greater maternal sensitivity and a higher dyadic EA quality of the mother-child-interaction went along with greater occipital Go/Nogo effects in the N2 time window, but this effect clearly diminished when we controlled for children's age and intelligence. Higher maternal autonomy-support was also positively associated with better HTKS performance, and higher dyadic EA quality went along with higher HTKS and DoG scores. However, no significant associations were found between EA variables and

  7. Correlation between sequence, structure and function for trisporoid processing proteins in the model zygomycete Mucor mucedo.

    PubMed

    Ellenberger, Sabrina; Schuster, Stefan; Wöstemeyer, Johannes

    2013-03-01

    Terpenoids, steroids, carotenoids, phytoenes and other chemically related substance groups fulfill multiple functions in all realms of the organismic world. This analysis focuses on trisporoids that operate as pheromones in the phylogenetically ancient fungal group of mucoralean zygomycetes. Trisporoids serve as pheromones for recognizing complementary mating partners and for inducing the differentiation program towards sexual spore formation. Trisporoids are synthesized by oxidative degradation of β-carotene. Structurally, they are related to retinoids in mammals and abscisic acid in vascular plants. In order to evaluate evolutionary relationships between proteins involved in trisporoid binding and also for checking possibilities to recognize functionally related proteins by sequence and structure comparisons, we compared representative proteins of different origins. Towards this goal, we calculated three-dimensional structures for 4-dihydromethyltrisporate dehydrogenase (TSP1) and 4-dihydrotrisporin dehydrogenase (TSP2), the two proteins involved in trisporic acid synthesis that have unequivocally been correlated with their catalytic function for the model zygomycete Mucor mucedo. TSP1 is an aldo-keto reductase with a TIM-barrel structure, TSP2 belongs to short-chain dehydrogenases, characterized by a Rossmann fold. Evidently, functional conservation, even implying very similar substrates and identical cosubstrates of enzymes in a single organism, turns out to be essentially independent of basic protein structure. The binding sites for NADP and trisporoid ligands in the proteins were determined by docking studies, revealing those regions affecting substrate specificity. Despite the pronounced differences in amino acid sequence and tertiary structure, the surfaces around the active sites are comparable between TSP1 and TSP2. Two binding regions were identified, one sterically open and a second closed one. In contrast to TSP1, all docking models for TSP2 place the

  8. First order phase transformations: scaling relations for grain self-correlation functions

    SciTech Connect

    Axe, J.D.; Shapiro, S.M.; Yamada, Y.; Hamaya, N.

    1985-06-01

    At high pressure many alkali halides transform from the NaCl (B1) structure to the CsCl (B2) structure. We have recently studied this transformation in polycrystalline RbI, which transforms at a critical pressure, P/sub c/ = 3.5 kbar. By observing the time development of the neutron diffraction pattern after sudden increase of hydrostatic pressure from P

    P/sub c/ we directly deduced X(t), the fraction of the sample converted from metastable to stable phase, as a function of time. We showed that X(t) taken at different P could be approximately scaled onto a universal growth curve by introducing an adjustable characteristic time tau(P) for each curve. The success of the Kolmogorov in fitting X(t) suggests that comparisons of model predictions with other experimental observables be made on the system. For example, by a trivial (in principle) extension of the neutron diffraction techniques described above, one might determine the broadening of the powder diffraction peaks due to finite grain size as a function of time throughout growth. This particle size broadening is related by Fourier transformation to the grain autocorrelation function, G/sub s/(r,t), which measures the ensemble average of the overlap of grains with themselves upon translation of the grain pattern by an amount r. We present some results of a study of the scaling properties of G/sub s/(r,t) for the Kolmogorov model for d=1 and d=2. Although the model is highly idealized, it is perhaps the simplest conceivable one which obeys correlation function scaling in early stages of growth and undergoes nontrivial saturation due to volume fraction effects in the late stages. 4 refs., 6 figs.

  9. Compensation through increased functional connectivity: neural correlates of inhibition in old and young.

    PubMed

    Geerligs, Linda; Saliasi, Emi; Maurits, Natasha M; Lorist, Monicque M

    2012-10-01

    With increasing age, people experience more difficulties with suppressing irrelevant information, which may have a major impact on cognitive functioning. The extent of decline of inhibitory functions with age is highly variable between individuals. In this study, we used ERPs and phase locking analyses to investigate neural correlates of this variability in inhibition between individuals. Older and younger participants performed a selective attention task in which relevant and irrelevant information was presented simultaneously. The participants were split into high and low performers based on their level of inhibition inefficiency, that is, the slowing of RTs induced by information that participants were instructed to ignore. P1 peak amplitudes were larger in low performers than in high performers, indicating that low performers were less able to suppress the processing of irrelevant stimuli. Phase locking analyses were used as a measure of functional connectivity. Efficient inhibition in both age groups was related to the increased functional connectivity in the alpha band between frontal and occipito-parietal ROIs in the prestimulus interval. In addition, increased power in the alpha band in occipito-parietal ROIs was related to better inhibition both before and after stimulus onset. Phase locking in the upper beta band before and during stimulus presentation between frontal and occipito-parietal ROIs was related to a better performance in older participants only, suggesting that this is an active compensation mechanism employed to maintain adequate performance. In addition, increased top-down modulation and increased power in the alpha band appears to be a general mechanism facilitating inhibition in both age groups.

  10. Functional Correlates of Positional and Gender-Specific Renal Asymmetry in Drosophila

    PubMed Central

    Chintapalli, Venkateswara R.; Terhzaz, Selim; Wang, Jing; Al Bratty, Mohammed; Watson, David G.; Herzyk, Pawel; Davies, Shireen A.; Dow, Julian A. T.

    2012-01-01

    Background In humans and other animals, the internal organs are positioned asymmetrically in the body cavity, and disruption of this body plan can be fatal in humans. The mechanisms by which internal asymmetry are established are presently the subject of intense study; however, the functional significance of internal asymmetry (outside the brain) is largely unexplored. Is internal asymmetry functionally significant, or merely an expedient way of packing organs into a cavity? Methodology/Principal Findings Like humans, Drosophila shows internal asymmetry, with the gut thrown into stereotyped folds. There is also renal asymmetry, with the rightmost pair of renal (Malpighian) tubules always ramifying anteriorly, and the leftmost pair always sitting posteriorly in the body cavity. Accordingly, transcriptomes of anterior-directed (right-side) and posterior-directed (left-side) Malpighian (renal) tubules were compared in both adult male and female Drosophila. Although genes encoding the basic functions of the tubules (transport, signalling) were uniformly expressed, some functions (like innate immunity) showed positional or gender differences in emphasis; others, like calcium handling or the generation of potentially toxic ammonia, were reserved for just the right-side or left-side tubules, respectively. These findings correlated with the distinct locations of each tubule pair within the body cavity. Well known developmental genes (like dorsocross, dachshund and doublesex) showed continuing, patterned expression in adult tubules, implying that somatic tissues maintain both left-right and gender identities throughout life. Gender asymmetry was also noted, both in defence and in male-specific expression of receptors for neuropeptide F and sex-peptide: NPF elevated calcium only in male tubules. Conclusions/Significance Accordingly, the physical asymmetry of the tubules in the body cavity is directly adaptive. Now that the detailed machinery underlying internal asymmetry is

  11. Plasma Uromodulin Correlates With Kidney Function and Identifies Early Stages in Chronic Kidney Disease Patients.

    PubMed

    Steubl, Dominik; Block, Matthias; Herbst, Victor; Nockher, Wolfgang Andreas; Schlumberger, Wolfgang; Satanovskij, Robin; Angermann, Susanne; Hasenau, Anna-Lena; Stecher, Lynne; Heemann, Uwe; Renders, Lutz; Scherberich, Jürgen

    2016-03-01

    Uromodulin, released from tubular cells of the ascending limb into the blood, may be associated with kidney function. This work studies the relevance of plasma uromodulin as a biomarker for kidney function in an observational cohort of chronic kidney disease (CKD) patients and subjects without CKD (CKD stage 0). It should be further evaluated if uromodulin allows the identification of early CKD stages.Plasma uromodulin, serum creatinine, cystatin C, blood-urea-nitrogen (BUN) concentrations, and estimated glomerular filtration rate (eGFR CKD-EPIcrea-cystatin) were assessed in 426 individuals of whom 71 were CKD stage 0 and 355 had CKD. Besides descriptive statistics, univariate correlations between uromodulin and biomarkers/eGFR were calculated using Pearson-correlation coefficient. Multiple linear regression modeling was applied to establish the association between uromodulin and eGFR adjusted for demographic parameters and pharmacologic treatment. Receiver-operating-characteristic (ROC) analysis adjusted for demographic parameters was performed to test if uromodulin allows differentiation of subjects with CKD stage 0 and CKD stage I.Mean uromodulin plasma levels were 85.7 ± 60.5 ng/mL for all CKD stages combined. Uromodulin was correlated with all biomarkers/eGFR in univariate analysis (eGFR: r = 0.80, creatinine: r = -0.76, BUN: r = -0.72, and cystatin C: r = -0.79). Multiple linear regression modeling showed significant association between uromodulin and eGFR (coefficient estimate β = 0.696, 95% confidence interval [CI] 0.603-0.719, P < 0.001). In ROC analysis uromodulin was the only parameter that significantly improved a model containing demographic parameters to differentiate between CKD 0° and I° (area under the curve [AUC] 0.831, 95% CI 0.746-0.915, P = 0.008) compared to creatinine, cystatin C, BUN, and eGFR (AUC for creatinine: 0.722, P = 0.056, cystatin C: 0.668, P = 0.418, BUN: 0.653, P = 0.811, and e

  12. High Mobility Group Box Protein-1 Correlates with Renal Function in Chronic Kidney Disease (CKD)

    PubMed Central

    Bruchfeld, Annette; Qureshi, Abdul Rashid; Lindholm, Bengt; Barany, Peter; Yang, LiHong; Stenvinkel, Peter; Tracey, Kevin J

    2008-01-01

    Chronic kidney disease (CKD) is associated with inflammation and malnutrition and carries a markedly increased risk of cardiovascular disease (CVD). High Mobility Group Box Protein-1 (HMGB-1) is a 30-kDa nuclear and cytosolic protein known as a transcription and growth factor, recently identified as a proinflammatory mediator of tissue injury. Recent data implicates HMGB-1 in endotoxin lethality, rheumatoid arthritis, and atherosclerosis. The aim of this post-hoc, cross-sectional study was to determine whether HMGB-1 serum levels are elevated in CKD patients. The study groups were categorized as follows: 110 patients starting dialysis defined as CKD 5; 67 patients with moderately to severely reduced renal function or CKD 3–4; and 48 healthy controls. High-sensitivity C-reactive-protein (hs-CRP), interleukin-6 (IL-6), tumor necrosis factor (TNF), serum-albumin (S-albumin), hemoglobin A1c (HbA1c), hemoglobin, subjective global nutritional assessment (SGA), and glomerular filtration rate (GFR) were analyzed. Kruskal-Wallis test was used to compare groups and Spearman’s rank correlation test was used for continuous variables. HMGB-1, measured by Western blot, was significantly (P < 0.001) elevated in CKD 5 (146.7 ± 58.6 ng/mL) and CKD 3–4 (85.6 ± 31.8) compared with controls (10.9 ± 10.5). HMGB-1 levels were correlated positively with TNF (Rho = 0.52; P < 0.001), hs-CRP (Rho = 0.38; P < 0.001), IL-6 (Rho = 0.30; P < 0.001), HbA1c (Rho = 0.14; P = 0.02) and SGA (Rho = 0.21; P = 0.002) and negatively correlated with GFR (Rho = –0.69; P = 0.0001), Hb (Rho = –0.60; P < 0.001), S-albumin (Rho = –0.31; P < 0.001). The current study has revealed that HMGB-1 is elevated significantly in CKD patients and correlates with GFR as well as markers of inflammation and malnutrition. Future studies may delineate whether HMGB-1 is also a marker of disease activity and severity as well as a predictor of outcome in CKD. PMID:18317568

  13. Experimental Study of the Convergence of Two-Point Cross-Correlation Toward the Green's Function

    NASA Astrophysics Data System (ADS)

    Gouedard, P.; Roux, P.; Campillo, M.; Verdel, A.; Campman, X.

    2007-12-01

    It has been shown theoretically by several authors that cross-correlation of the seismic motion recorded at two points could yield the Green's Function (GF) between these points. Convergence of cross-correlations toward the GF depends on sources positions and/or the nature of the wavefield. Direct waves from an even distribution of sources can be used to retrieve the GF. On the other hand, in an inhomogeneous medium, recording the diffuse field (coda) is theoretically sufficient to retrieve the GF whatever the sources distribution is. Since none of these two conditions (even distribution of sources or a perfectly diffuse field) is satisfied in practice, the question of convergence toward the GF has to be investigated with real data. A 3D exploration survey with sources and receivers on a dense grid offers such an opportunity. We used a high- resolution survey recorded by Petroleum Development Oman in North Oman. The data have been obtained in a 1x1~km area covered with 1600 geophones located on a 25x25~m-cell grid. Records are 4-seconds long. A unique feature of this survey is that vibrators (working in the [8-120~Hz] frequency band), were located on a similar grid shifted with respect to the receiver grid by half a cell (12.5~m) in both directions. This allows us to compare estimated GF's with measured direct waves (GF's) between the geophones. The shallow subsurface is highly heterogeneous and records include seismic coda. From this dataset, we selected two receiver locations (Ra and Rb) distant from d=158~m. We used both different sets of source locations and time windows to compute the cross-correlation between these two receivers. Then we compared the derivatives of correlation functions with the actual GF measured in Rb (resp.~Ra) for a source close to Ra (resp.~Rb). By doing so, we show the actual influence of source locations and scattering (governed by the records' selected time window) on the Signal-to-Noise Ratio (SNR) of the reconstructed GF. When using

  14. Retrieving the Green's Function by Cross-correlation: a Comparison of Approaches

    NASA Astrophysics Data System (ADS)

    Wapenaar, K.; Draganov, D.

    2004-12-01

    Recently it has been shown by various authors that the Green's function of a random medium can be obtained by cross-correlating the recordings of a diffuse wave field at two receiver positions (Weaver and Lobkis, 2001; van Tiggelen, 2003; Snieder, 2004). The resulting Green's function is the wave field that would be observed at one of these receiver positions if there were an impulsive source at the other. This theoretical result has first been demonstrated with ultrasonic measurements and later with seismic surface waves (Campillo and Paul, 2003). The accuracy of the reconstructed Green's function depends on the amount of disorder of the medium parameters and the duration of the signal. Ideally the cross-correlations should be done in the equipartitioned regime (where the net energy flux is equal to zero), which takes place after sufficiently long multiple scattering of the wave field between the heterogeneities in the disordered medium (Malcolm, Scales and van Tiggelen, 2004). An initially independent line of research, developed by exploration seismologists, deals with the reconstruction of the seismic reflection response of a deterministic medium from (passive) recordings of the transmission response. Already in 1968 Claerbout showed that the autocorrelation of the transmission response of a horizontally layered earth yields the superposition of the reflection response and its time-reversed version. The source in the subsurface may be a transient or a noise signal; in both cases the source signature in the reconstructed reflection response is the autocorrelation of the source signal in the subsurface. Claerbout's derivation was strictly one-dimensional. Later he conjectured for the 3-D situation that `by cross-correlating noise traces recorded at two locations on the surface, we can construct the wave field that would be recorded at one of the locations if there was a source at the other'. Although it was not explicitly stated, this conjecture applies to

  15. Subclinical respiratory dysfunction in chronic cervical cord compression: a pulmonary function test correlation.

    PubMed

    Bhagavatula, Indira Devi; Bhat, Dhananjaya I; Sasidharan, Gopalakrishnan M; Mishra, Rakesh Kumar; Maste, Praful Suresh; Vilanilam, George C; Sathyaprabha, Talakkad N

    2016-06-01

    OBJECTIVE Respiratory abnormalities are well documented in acute spinal cord injury; however, the literature available for respiratory dysfunction in chronic compressive myelopathy (CCM) is limited. Respiratory dysfunction in CCM is often subtle and subclinical. The authors studied the pattern of respiratory dysfunction in patients with chronic cord compression by using spirometry, and the clinical and surgical implications of this dysfunction. In this study they also attempted to address the postoperative respiratory function in these patients. METHODS A prospective study was done in 30 patients in whom cervical CCM due to either cervical spondylosis or ossification of the posterior longitudinal ligament (OPLL) was diagnosed. Thirty age-matched healthy volunteers were recruited as controls. None of the patients included in the study had any symptoms or signs of respiratory dysfunction. After clinical and radiological diagnosis, all patients underwent pulmonary function tests (PFTs) performed using a standardized Spirometry Kit Micro before and after surgery. The data were analyzed using Statistical Software SPSS version 13.0. Comparison between the 2 groups was done using the Student t-test. The Pearson correlation coefficient was used for PFT results and Nurick classification scores. A p value < 0.05 was considered significant. RESULTS Cervical spondylotic myelopathy (prolapsed intervertebral disc) was the predominant cause of compression (n = 21, 70%) followed by OPLL (n = 9, 30%). The average patient age was 45.06 years. Degenerative cervical spine disease has a relatively younger onset in the Indian population. The majority of the patients (n = 28, 93.3%) had compression at or above the C-5 level. Ten patients (33.3%) underwent an anterior approach and discectomy, 11 patients (36.7%) underwent decompressive laminectomy, and the remaining 9 underwent either corpectomy with fusion or laminoplasty. The mean preoperative forced vital capacity (FVC) (65%) of the

  16. Subclinical respiratory dysfunction in chronic cervical cord compression: a pulmonary function test correlation.

    PubMed

    Bhagavatula, Indira Devi; Bhat, Dhananjaya I; Sasidharan, Gopalakrishnan M; Mishra, Rakesh Kumar; Maste, Praful Suresh; Vilanilam, George C; Sathyaprabha, Talakkad N

    2016-06-01

    OBJECTIVE Respiratory abnormalities are well documented in acute spinal cord injury; however, the literature available for respiratory dysfunction in chronic compressive myelopathy (CCM) is limited. Respiratory dysfunction in CCM is often subtle and subclinical. The authors studied the pattern of respiratory dysfunction in patients with chronic cord compression by using spirometry, and the clinical and surgical implications of this dysfunction. In this study they also attempted to address the postoperative respiratory function in these patients. METHODS A prospective study was done in 30 patients in whom cervical CCM due to either cervical spondylosis or ossification of the posterior longitudinal ligament (OPLL) was diagnosed. Thirty age-matched healthy volunteers were recruited as controls. None of the patients included in the study had any symptoms or signs of respiratory dysfunction. After clinical and radiological diagnosis, all patients underwent pulmonary function tests (PFTs) performed using a standardized Spirometry Kit Micro before and after surgery. The data were analyzed using Statistical Software SPSS version 13.0. Comparison between the 2 groups was done using the Student t-test. The Pearson correlation coefficient was used for PFT results and Nurick classification scores. A p value < 0.05 was considered significant. RESULTS Cervical spondylotic myelopathy (prolapsed intervertebral disc) was the predominant cause of compression (n = 21, 70%) followed by OPLL (n = 9, 30%). The average patient age was 45.06 years. Degenerative cervical spine disease has a relatively younger onset in the Indian population. The majority of the patients (n = 28, 93.3%) had compression at or above the C-5 level. Ten patients (33.3%) underwent an anterior approach and discectomy, 11 patients (36.7%) underwent decompressive laminectomy, and the remaining 9 underwent either corpectomy with fusion or laminoplasty. The mean preoperative forced vital capacity (FVC) (65%) of the

  17. On the saturation of the refractive index structure function. II - Influence of the correlation length on astronomical 'seeing'

    NASA Technical Reports Server (NTRS)

    Venkatakrishnan, P.

    1987-01-01

    A physical length scale in the wavefront corresponding to the parameter (r sub 0) characterizing the loss in detail in a long exposure image is identified, and the influence of the correlation scale of turbulence as r sub 0 approaches this scale is shown. Allowing for the effect of 2-point correlations in the fluctuations of the refractive index, Venkatakrishnan and Chatterjee (1987) proposed a modified law for the phase structure function. It is suggested that the departure of the phase structure function from the 5/3 power law for length scales in the wavefront approaching the correlation scale of turbulence may lead to better 'seeing' at longer wavelengths.

  18. Exon organization of the human FKBP-12 gene: Correlation with structural and functional protein domains

    SciTech Connect

    DiLella, A.G.; Craig, R.J. )

    1991-09-03

    FKBP-12, the major T-cell binding protein for the immunosuppressive agents FK506 and rapamycin, catalyzes the interconversion of the cis and trans rotamers of the peptidyl-prolyl amide bond of peptide and protein substrates. The function of rotamase activity in cells and the role of FKBP-12 in immunoregulation is uncertain. In this paper the authors report the cloning and characterization of the human chromosomal FKBP-12 gene and four processed FKBP-12 pseudogenes. The FKBP-12 gene is 24 kilobases in length and contains five exons. The protein-coding region of the gene is divided into four exon modules that correlate with the structural and functional domains of the protein. The novel structure of FKBP-12 resulting form the topology of the antiparallel {beta}-sheet is the topological crossing of two loops that are encoded by separate exons. Separate exons also encode the antiparallel {beta}-sheet and {alpha}-helical region that define the drug-binding pocket and enzyme activity site of FKBP-12. The exon organization of the FKBP-12 gene structure will enable inactivation of this gene by homologous recombination in cells to provide a model to study the role of FKBP-12 in immunoregulation and normal cellular processes.

  19. Wavelet approximation of correlated wave functions. II. Hyperbolic wavelets and adaptive approximation schemes

    NASA Astrophysics Data System (ADS)

    Luo, Hongjun; Kolb, Dietmar; Flad, Heinz-Jurgen; Hackbusch, Wolfgang; Koprucki, Thomas

    2002-08-01

    We have studied various aspects concerning the use of hyperbolic wavelets and adaptive approximation schemes for wavelet expansions of correlated wave functions. In order to analyze the consequences of reduced regularity of the wave function at the electron-electron cusp, we first considered a realistic exactly solvable many-particle model in one dimension. Convergence rates of wavelet expansions, with respect to L2 and H1 norms and the energy, were established for this model. We compare the performance of hyperbolic wavelets and their extensions through adaptive refinement in the cusp region, to a fully adaptive treatment based on the energy contribution of individual wavelets. Although hyperbolic wavelets show an inferior convergence behavior, they can be easily refined in the cusp region yielding an optimal convergence rate for the energy. Preliminary results for the helium atom are presented, which demonstrate the transferability of our observations to more realistic systems. We propose a contraction scheme for wavelets in the cusp region, which reduces the number of degrees of freedom and yields a favorable cost to benefit ratio for the evaluation of matrix elements.

  20. A depression network of functionally connected regions discovered via multi-attribute canonical correlation graphs.

    PubMed

    Kang, Jian; Bowman, F DuBois; Mayberg, Helen; Liu, Han

    2016-11-01

    To establish brain network properties associated with major depressive disorder (MDD) using resting-state functional magnetic resonance imaging (Rs-fMRI) data, we develop a multi-attribute graph model to construct a region-level functional connectivity network that uses all voxel level information. For each region pair, we define the strength of the connectivity as the kernel canonical correlation coefficient between voxels in the two regions; and we develop a permutation test to assess the statistical significance. We also construct a network based classifier for making predictions on the risk of MDD. We apply our method to Rs-fMRI data from 20 MDD patients and 20 healthy control subjects in the Predictors of Remission in Depression to Individual and Combined Treatments (PReDICT) study. Using this method, MDD patients can be distinguished from healthy control subjects based on significant differences in the strength of regional connectivity. We also demonstrate the performance of the proposed method using simulationstudies. PMID:27474522

  1. Widespread mycorrhizal specificity correlates to mycorrhizal function in the neotropical, epiphytic orchid Ionopsis utricularioides (Orchidaceae).

    PubMed

    Otero, J Tupac; Flanagan, Nicola S; Herre, E Allen; Ackerman, James D; Bayman, Paul

    2007-12-01

    Tropical orchids constitute the greater part of orchid diversity, but little is known about their obligate mycorrhizal relationships. The specificity of these interactions and associated fungal distributions could influence orchid distributions and diversity. We investigated the mycorrhizal specificity of the tropical epiphytic orchid Ionopsis utricularioides across an extensive geographical range. DNA ITS sequence variation was surveyed in both plants and mycorrhizal fungi. Phylogeographic relationships were estimated for the mycorrhizal fungi. Orchid functional outcomes were determined through in vitro seed germination and seedling growth with a broad phylogenetic representation of fungi. Most fungal isolates derived from one clade of Ceratobasidium (anamorphs assignable to Ceratorhiza), with 78% within a narrower phylogenetic group, clade B. No correlation was found between the distributions of orchid and fungal genotypes. All fungal isolates significantly enhanced seed germination, while fungi in clade B significantly enhanced seedling growth. These results show that I. utricularioides associates with a phylogenetically narrow, effective fungal clade over a broad distribution. This preference for a widespread mycorrhizae may partly explain the ample distribution and abundance of I. utricularioides and contrasts with local mycorrhizal diversification seen in some nonphotosynthetic orchids. Enhanced orchid function with a particular fungal subclade suggests mycorrhizal specificity can increase orchid fitness.

  2. Interindividual Variability in Functional Connectivity as Long-Term Correlate of Temporal Discounting

    PubMed Central

    Pezzulo, Giovanni; Spadone, Sara; Committeri, Giorgia

    2015-01-01

    During intertemporal choice (IT) future outcomes are usually devaluated as a function of the delay, a phenomenon known as temporal discounting (TD). Based on task-evoked activity, previous neuroimaging studies have described several networks associated with TD. However, given its relevance for several disorders, a critical challenge is to define a specific neural marker able to predict TD independently of task execution. To this aim, we used resting-state functional connectivity MRI (fcMRI) and measured TD during economic choices several months apart in 25 human subjects. We further explored the relationship between TD, impulsivity and decision uncertainty by collecting standard questionnaires on individual trait/state differences. Our findings indicate that fcMRI within and between critical nodes of task-evoked neural networks associated with TD correlates with discounting behavior measured a long time afterwards, independently of impulsivity. Importantly, the nodes form an intrinsic circuit that might support all the mechanisms underlying TD, from the representation of subjective value to choice selection through modulatory effects of cognitive control and episodic prospection. PMID:25774886

  3. Frequency response functions of shape features from full-field vibration measurements using digital image correlation

    NASA Astrophysics Data System (ADS)

    Wang, Weizhuo; Mottershead, John E.; Siebert, Thorsten; Pipino, Andrea

    2012-04-01

    The availability of high speed digital cameras has enabled three-dimensional (3D) vibration measurement by stereography and digital image correlation (DIC). The 3D DIC technique provides non-contact full-field measurements on complex surfaces whereas conventional modal testing methods employ point-wise frequency response functions. It is proposed to identify the modal properties by utilising the domain-wise responses captured by a DIC system. This idea will be illustrated by a case study in the form a car bonnet of 3D irregular shape typical of many engineering structures. The full-field measured data are highly redundant, but the application of image processing using functional transformation enables the extraction of a small number of shape features without any significant loss of information from the raw DIC data. The complex bonnet surface on which the displacement responses are measured is essentially a 2-manifold. It is possible to apply surface parameterisation to 'flatten' the 3D surface to form a 2D planar domain. Well-developed image processing techniques are defined on planar domains and used to extract features from the displacement patterns on the surface of a specimen. An adaptive geometric moment descriptor (AGMD), defined on surface parametric space, is able to extract shape features from a series of full-field transient responses under random excitation. Results show the effectiveness of the AGMD and the obtained shape features are demonstrated to be succinct and efficient. Approximately 14 thousand data points of raw DIC measurement are represented by 20 shape feature terms at each time step. Shape-descriptor frequency response functions (SD-FRFs) of the response field and the loading field are derived in the shape feature space. It is seen that the SD-FRF has a similar format to the conventional receptance FRF. The usual modal identification procedure is applied to determine the natural frequencies, damping factors and eigen-shape-feature vectors

  4. The association between gas and galaxies - II. The two-point correlation function

    NASA Astrophysics Data System (ADS)

    Wilman, R. J.; Morris, S. L.; Jannuzi, B. T.; Davé, R.; Shone, A. M.

    2007-02-01

    We measure the two-point correlation function, ξAG, between galaxies and quasar absorption-line systems at z < 1, using the data set of Morris & Jannuzi on 16 lines-of-sight (LOS) with ultraviolet (UV) spectroscopy and galaxy multi-object spectroscopy (Paper I). The measurements are made in 2D redshift space out to π = 20h-1 Mpc (comoving) along the LOS and out to σ = 2h-1 Mpc projected; as a function of HI column density in the range NHI = 1013-1019cm-2, also for CIV absorption systems, and as a function of galaxy spectral type. This extends the absorber-galaxy pair analysis of Paper I. We find that the amplitude of the peak in ξAG at the smallest separations increases slowly as the lower limit on NHI is increased from 1013 to 1016cm-2, and then jumps sharply (albeit with substantial uncertainties) for NHI > 1017cm-2. For CIV absorbers, the peak strength of ξAG is roughly comparable to that of HI absorbers with NHI > 1016.5cm-2, consistent with the finding that the CIV absorbers are associated with strong HI absorbers. We do not reproduce the differences reported by Chen et al. between 1D ξAG measurements using galaxy subsamples of different spectral types. However, the full impact on the measurements of systematic differences in our samples is hard to quantify. We compare the observations with smoothed particle hydrodynamical (SPH) simulations and discover that in the observations ξAG is more concentrated to the smallest separations than in the simulations. The latter also display a `finger of god' elongation of ξAG along the LOS in redshift space, which is absent from our data, but similar to that found by Ryan-Weber for the cross-correlation of quasar absorbers and HI-emission-selected galaxies. The physical origin of these `fingers of god' is unclear, and we thus highlight several possible areas for further investigation.

  5. Plasma Uromodulin Correlates With Kidney Function and Identifies Early Stages in Chronic Kidney Disease Patients

    PubMed Central

    Steubl, Dominik; Block, Matthias; Herbst, Victor; Nockher, Wolfgang Andreas; Schlumberger, Wolfgang; Satanovskij, Robin; Angermann, Susanne; Hasenau, Anna-Lena; Stecher, Lynne; Heemann, Uwe; Renders, Lutz; Scherberich, Jürgen

    2016-01-01

    Abstract Uromodulin, released from tubular cells of the ascending limb into the blood, may be associated with kidney function. This work studies the relevance of plasma uromodulin as a biomarker for kidney function in an observational cohort of chronic kidney disease (CKD) patients and subjects without CKD (CKD stage 0). It should be further evaluated if uromodulin allows the identification of early CKD stages. Plasma uromodulin, serum creatinine, cystatin C, blood-urea-nitrogen (BUN) concentrations, and estimated glomerular filtration rate (eGFR CKD-EPIcrea-cystatin) were assessed in 426 individuals of whom 71 were CKD stage 0 and 355 had CKD. Besides descriptive statistics, univariate correlations between uromodulin and biomarkers/eGFR were calculated using Pearson-correlation coefficient. Multiple linear regression modeling was applied to establish the association between uromodulin and eGFR adjusted for demographic parameters and pharmacologic treatment. Receiver-operating-characteristic (ROC) analysis adjusted for demographic parameters was performed to test if uromodulin allows differentiation of subjects with CKD stage 0 and CKD stage I. Mean uromodulin plasma levels were 85.7 ± 60.5 ng/mL for all CKD stages combined. Uromodulin was correlated with all biomarkers/eGFR in univariate analysis (eGFR: r = 0.80, creatinine: r = −0.76, BUN: r = −0.72, and cystatin C: r = −0.79). Multiple linear regression modeling showed significant association between uromodulin and eGFR (coefficient estimate β = 0.696, 95% confidence interval [CI] 0.603–0.719, P < 0.001). In ROC analysis uromodulin was the only parameter that significantly improved a model containing demographic parameters to differentiate between CKD 0° and I° (area under the curve [AUC] 0.831, 95% CI 0.746–0.915, P = 0.008) compared to creatinine, cystatin C, BUN, and eGFR (AUC for creatinine: 0.722, P = 0.056, cystatin C: 0.668, P = 0.418, BUN: 0.653, P

  6. Investigating short-range magnetism in strongly correlated materials via magnetic pair distribution function analysis and ab initio theory

    NASA Astrophysics Data System (ADS)

    Frandsen, Benjamin; Page, Katharine; Brunelli, Michela; Staunton, Julie; Billinge, Simon

    Short-range magnetic correlations are known to exist in a variety of strongly correlated electron systems, but our understanding of the role they play is challenged by the difficulty of experimentally probing such correlations. Magnetic pair distribution function (mPDF) analysis is a newly developed neutron total scattering method that can reveal short-range magnetic correlations directly in real space, and may therefore help ameliorate this difficulty. We present temperature-dependent mPDF measurements of the short-range magnetic correlations in the paramagnetic phase of antiferromagnetic MnO, an archetypal strongly correlated transition-metal oxide. We observe significant correlations on a ~1 nm length scale that differ substantially from the low-temperature long-range-ordered spin arrangement. With no free parameters, ab initio calculations using the self-interaction-corrected local spin density approximation of density functional theory quantitatively reproduce the magnetic correlations to a high degree of accuracy. These results yield valuable insight into the magnetic exchange in MnO and showcase the utility of the mPDF technique for studying magnetic properties of strongly correlated electron systems.

  7. Correlation of coronary artery stenosis evaluation with left heart structure and function by multi-slice computed tomography.

    PubMed

    Song, L N; Cao, A D; Niu, Y J; Liu, N

    2014-08-07

    The aim of this study was to determine the impact of multi-slice computed tomography (MSCT) evaluation of coronary artery stenosis on left heart structure and systolic function. Coronary artery CT angiography was performed in 200 patients diagnosed with coronary heart disease, and then according to the AHA coronary artery 17-segment fractionation method, the Gensini score (GS) was determined for every narrow segment, and one-stop assessment of the correlation between left heart structure and function was performed. After the grouping of GS quartiles from low to high, there were differences between different patients with regard to LVDD, LADD, LVEDV, LVESV, MM, LVEF, and FS, while no difference in SV and CO. GS showed linear negative correlation with LVEF and FS, and linear positive correlation with LVDD, LADD, LVEDV, LVESV, and MM, while no correlation with SV and CO. That is, GS of coronary artery stenosis was negatively correlated with left ventricular systolic function and positively correlated with myocardial mass. The narrower the coronary artery, the worse the cardiac function and the higher the myocardial hypertrophy. Coronary artery stenosis was one of the important causes of the decrease in left ventricular systolic function and cardiac remodeling.

  8. Functional integration of the posterior superior temporal sulcus correlates with facial expression recognition.

    PubMed

    Wang, Xu; Song, Yiying; Zhen, Zonglei; Liu, Jia

    2016-05-01

    Face perception is essential for daily and social activities. Neuroimaging studies have revealed a distributed face network (FN) consisting of multiple regions that exhibit preferential responses to invariant or changeable facial information. However, our understanding about how these regions work collaboratively to facilitate facial information processing is limited. Here, we focused on changeable facial information processing, and investigated how the functional integration of the FN is related to the performance of facial expression recognition. To do so, we first defined the FN as voxels that responded more strongly to faces than objects, and then used a voxel-based global brain connectivity method based on resting-state fMRI to characterize the within-network connectivity (WNC) of each voxel in the FN. By relating the WNC and performance in the "Reading the Mind in the Eyes" Test across participants, we found that individuals with stronger WNC in the right posterior superior temporal sulcus (rpSTS) were better at recognizing facial expressions. Further, the resting-state functional connectivity (FC) between the rpSTS and right occipital face area (rOFA), early visual cortex (EVC), and bilateral STS were positively correlated with the ability of facial expression recognition, and the FCs of EVC-pSTS and OFA-pSTS contributed independently to facial expression recognition. In short, our study highlights the behavioral significance of intrinsic functional integration of the FN in facial expression processing, and provides evidence for the hub-like role of the rpSTS for facial expression recognition. Hum Brain Mapp 37:1930-1940, 2016. © 2016 Wiley Periodicals, Inc. PMID:26915331

  9. Recognition of faces and names: multimodal physiological correlates of memory and executive function.

    PubMed

    Mitchell, Meghan B; Shirk, Steven D; McLaren, Donald G; Dodd, Jessica S; Ezzati, Ali; Ally, Brandon A; Atri, Alireza

    2016-06-01

    We sought to characterize electrophysiological, eye-tracking and behavioral correlates of face-name recognition memory in healthy younger adults using high-density electroencephalography (EEG), infrared eye-tracking (ET), and neuropsychological measures. Twenty-one participants first studied 40 face-name (FN) pairs; 20 were presented four times (4R) and 20 were shown once (1R). Recognition memory was assessed by asking participants to make old/new judgments for 80 FN pairs, of which half were previously studied items and half were novel FN pairs (N). Simultaneous EEG and ET recording were collected during recognition trials. Comparisons of event-related potentials (ERPs) for correctly identified FN pairs were compared across the three item types revealing classic ERP old/new effects including 1) relative positivity (1R > N) bi-frontally from 300 to 500 ms, reflecting enhanced familiarity, 2) relative positivity (4R > 1R and 4R > N) in parietal areas from 500 to 800 ms, reflecting enhanced recollection, and 3) late frontal effects (1R > N) from 1000 to 1800 ms in right frontal areas, reflecting post-retrieval monitoring. ET analysis also revealed significant differences in eye movements across conditions. Exploration of cross-modality relationships suggested associations between memory and executive function measures and the three ERP effects. Executive function measures were associated with several indicators of saccadic eye movements and fixations, which were also associated with all three ERP effects. This novel characterization of face-name recognition memory performance using simultaneous EEG and ET reproduced classic ERP and ET effects, supports the construct validity of the multimodal FN paradigm, and holds promise as an integrative tool to probe brain networks supporting memory and executive functioning. PMID:26116280

  10. [The correlation between subjective and objective voice evaluation in organic and functional larynx disorders].

    PubMed

    Wiskirska-Woźnica, Bozena; Pruszewicz, Antoni; Obrebowski, Andrzej; Swidziński, Piotr

    2003-01-01

    The aim of this research is to develop and introduce into phoniatric diagnostic procedures the complex methodology of vocal function assessment, on the basis of comparison of subjective and objective voice estimation. The set of complex voice evaluation ought to include perceptual examination of the voice quality with quantitative GRBAS scale as a subjective method, vocal folds vibrations in videostroboscopy as a quasi-objective method and acoustic voice estimation in Multi Dimensional Voice Program (MDVP) as an objective method. The basic assumption of this report is to prove correlation existence for vocal folds vibration quality in videostroboscopy, parameters describing acoustic wave generating by vibration system in larynx (MDVP) and perceptual subjective voice assessment (GRBAS scale) in organic and functional voice disorders. Research was conducted on 100 subjects (65 with organic and 35 with functional voice disorder), aged 7-74 years randomly chosen from population of patients treated at the Department of Phoniatrics and Audiology, Karol Marcinkowski University School of Medical Sciences in Poznań in 1996-2001 and 60 subjects as a control group without any voice disorders according to phoniatric examination. The research methodology include perceptual voice evaluation based on Japanese (Hirano) GRBAS scale adapted to Polish language, in scale 0 to 3 as well as the vibrations of vocal folds in videostroboscopy with attempt at quantification (scale 1 to 3) of selected measure and for acoustic analysis of Multi Dimensional Voice Program (MDVP) for 17 estimated parameters. Due to results and statistic analysis the own, new scale of dysphonia severity was introduced.

  11. Brain Correlates of Self-Evaluation Deficits in Schizophrenia: A Combined Functional and Structural MRI Study.

    PubMed

    Tan, Shuping; Zhao, Yanli; Fan, Fengmei; Zou, Yizhuang; Jin, Zhen; Zen, Yawei; Zhu, Xiaolin; Yang, Fude; Tan, Yunlong; Zhou, Dongfeng

    2015-01-01

    Self-evaluation plays an important role in adaptive functioning and is a process that is typically impaired in patients with schizophrenia. Underlying neural mechanisms for this dysfunction may be associated with manifested psychosis. However, the brain substrates underlying this deficit are not well known. The present study used brain blood oxygen level dependent (BOLD) functional magnetic resonance imaging (fMRI) and gray matter voxel-based morphometry to explore the functional and structural brain correlates of self-evaluation deficits in schizophrenia. Eighteen patients with schizophrenia and 17 healthy controls were recruited and asked to judge whether a set of personality-trait adjectives were appropriate for describing themselves, a familiar other, or whether the adjectives were of positive or negative valence. Patients had slower response times for negative trait attributions than controls did; responses to positive trait attributions were faster than those for negative traits among the patient group, while no differences were observed in the control group. Control subjects showed greater activation within the dorsal medial prefrontal cortex (dMPFC) and the anterior cingulate cortex (ACC) than the patient group during the self-evaluation > semantic positivity-evaluation contrast. Patients showed greater activation mainly within the posterior cingulate gyrus (PCC) as compared to controls for the other-evaluation > semantic positivity-evaluation contrast. Furthermore, gray matter volume was reduced in the MPFC, temporal lobe, cuneus, and the dorsal lateral prefrontal cortex (DLPFC) among the patient group when compared to controls. The present study adds to previous findings regarding self- and other-referential processing in schizophrenia, providing support for neurobiological models of self-reflection impairment. PMID:26406464

  12. Functional integration of the posterior superior temporal sulcus correlates with facial expression recognition.

    PubMed

    Wang, Xu; Song, Yiying; Zhen, Zonglei; Liu, Jia

    2016-05-01

    Face perception is essential for daily and social activities. Neuroimaging studies have revealed a distributed face network (FN) consisting of multiple regions that exhibit preferential responses to invariant or changeable facial information. However, our understanding about how these regions work collaboratively to facilitate facial information processing is limited. Here, we focused on changeable facial information processing, and investigated how the functional integration of the FN is related to the performance of facial expression recognition. To do so, we first defined the FN as voxels that responded more strongly to faces than objects, and then used a voxel-based global brain connectivity method based on resting-state fMRI to characterize the within-network connectivity (WNC) of each voxel in the FN. By relating the WNC and performance in the "Reading the Mind in the Eyes" Test across participants, we found that individuals with stronger WNC in the right posterior superior temporal sulcus (rpSTS) were better at recognizing facial expressions. Further, the resting-state functional connectivity (FC) between the rpSTS and right occipital face area (rOFA), early visual cortex (EVC), and bilateral STS were positively correlated with the ability of facial expression recognition, and the FCs of EVC-pSTS and OFA-pSTS contributed independently to facial expression recognition. In short, our study highlights the behavioral significance of intrinsic functional integration of the FN in facial expression processing, and provides evidence for the hub-like role of the rpSTS for facial expression recognition. Hum Brain Mapp 37:1930-1940, 2016. © 2016 Wiley Periodicals, Inc.

  13. Local network structure of a-SiC:H and its correlation with dielectric function

    SciTech Connect

    Kageyama, Shota; Matsuki, Nobuyuki; Fujiwara, Hiroyuki

    2013-12-21

    The microscopic disordered structures of hydrogenated amorphous silicon carbide (a-Si{sub 1−x}C{sub x}:H) layers with different carbon contents have been determined based on the correlations between the dielectric function in the ultraviolet/visible region and the local bonding states studied by high-sensitivity infrared attenuated total reflection spectroscopy. We find that the microscopic structure of the a-Si{sub 1−x}C{sub x}:H layers fabricated by plasma-enhanced chemical vapor deposition shows a sharp structural transition at a boundary of x = 6.3 at. %. In the regime of x ≤ 6.3 at. %, (i) the amplitude of the a-SiC:H dielectric function reduces and (ii) the SiH{sub 2} content increases drastically with x, even though most of the C atoms are introduced into the tetrahedral sites without bonding with H. In the regime of x > 6.3 at. %, on the other hand, (i) the amplitude of the dielectric function reduces further and (ii) the concentration of the sp{sup 3} CH{sub n} (n = 2,3) groups increases. Moreover, we obtained the direct evidence that the sp{sup 2} C bonding state in the a-SiC matrix exists in the configuration of C = CH{sub 2} and the generation of the graphite-like C = CH{sub 2} unit suppresses the band gap widening significantly. At high C contents of x > 6.3 at. %, the a-SiC:H layers show quite porous structures due to the formation of microvoids terminated with the SiH{sub 2}/CH{sub n} groups. By taking the SiH{sub 2}/CH{sub n} microvoid generation in the network and the high-energy shift of the dielectric function by the local bonding states into account, the a-SiC:H dielectric function model has been established. From the analysis using this model, we have confirmed that the a-SiC:H optical properties in the ultraviolet/visible region are determined almost completely by the local network structures.

  14. Procoagulant and platelet-derived microvesicle absolute counts determined by flow cytometry correlates with a measurement of their functional capacity

    PubMed Central

    Ayers, Lisa; Harrison, Paul; Kohler, Malcolm; Ferry, Berne

    2014-01-01

    Background Flow cytometry is the most commonly used technology to measure microvesicles (MVs). Despite reported limitations of this technique, MV levels obtained using conventional flow cytometry have yielded many clinically relevant findings, such as associations with disease severity and ability to predict clinical outcomes. This study aims to determine if MV enumeration by flow cytometry correlates with a measurement of their functional capacity, as this may explain how flow cytometry generates clinically relevant results. Methods One hundred samples from healthy individuals and patients with obstructive sleep apnoea were analysed by conventional flow cytometry (FACSCalibur) and by three functional MV assays: Zymuphen MP-activity in which data were given as phosphatidylserine equivalent, STA® Phospholipid Procoag Assay expressed as clotting time and Endogenous Thrombin Potential (ETP) reflecting in vitro thrombin generation. Correlations were determined by Spearman correlation. Results Absolute counts of lactadherin+ procoagulant MVs generated by flow cytometry weakly correlated with the results obtained from the Zymuphen MP-activity (r=0.5370, p<0.0001); correlated with ETP (r=0.7444, p<0.0001); negatively correlated with STA® Phospholipid Procoag Assay clotting time (−0.7872, p<0.0001), reflecting a positive correlation between clotting activity and flow cytometry. Levels of Annexin V+ procoagulant and platelet-derived MVs were also associated with functional assays. Absolute counts of MVs derived from other cell types were not correlated with the functional results. Conclusions Quantitative results of procoagulant and platelet-derived MVs from conventional flow cytometry are associated with the functional capability of the MVs, as defined by three functional MV assays. Flow cytometry is a valuable technique for the quantification of MVs from different cellular origins; however, a combination of several analytical techniques may give the most comprehensive

  15. Spin-Component-Scaled Double-Hybrid Density Functionals with Nonlocal van der Waals Correlations for Noncovalent Interactions.

    PubMed

    Yu, Feng

    2014-10-14

    Nonlocal (NL) van der Waals correlation has been incorporated into the spin-component and spin-opposite scaled double-hybrid density functionals (DHDFs) for noncovalent interactions. The short-range attenuation parameters for the tested DHDFs with the NL correlations are optimized by minimizing the mean absolute deviations (MADs) against the S66 database. And consequently, the obtained DHDFs with the NL correlations are denoted as PWPB95-NL, DSD-BLYP-NL, DSD-PBEP86-NL, and DOD-PBEP86-NL. These four DHDFs with the NL correlations are further assessed with the S22B, NCCE31, and ADIM6 databases. On the basis of our benchmark computations, the cooperation of the NL correlation and the spin-component and spin-opposite scaled DHDFs is successful for noncovalent interactions. However, the performances of the four aforementioned DHDFs with the NL correlations on the charge transfer interactions are less than satisfactory. PMID:26588137

  16. Correlations in sequences of generalized eigenproblems arising in Density Functional Theory

    NASA Astrophysics Data System (ADS)

    Di Napoli, Edoardo; Blügel, Stefan; Bientinesi, Paolo

    2012-08-01

    Density