WorldWideScience

Sample records for correlated interaction potentials

  1. Baryon femtoscopy considering residual correlations as a tool to extract strong interaction potentials

    Directory of Open Access Journals (Sweden)

    Szymański Maciej

    2015-01-01

    Full Text Available In this article, the analysis of baryon-antibaryon femtoscopic correlations is presented. In particular, it is shown that taking into account residual correlations is crucial for the description of pΛ¯$\\bar \\Lambda $ and p̄Λ correlation functions measured by the STAR experiment in Au–Au collisions at the centre-of-mass energy per nucleon pair √sNN = 200 GeV. This approach enables to obtain pΛ¯$\\bar \\Lambda $ (p̄Λ source size consistent with the sizes extracted from correlations in pΛ (p̄Λ¯$\\bar \\Lambda $ and lighter pair systems as well as with model predictions. Moreover, with this analysis it is possible to derive the unknown parameters of the strong interaction potential for baryon-antibaryon pairs under several assumptions.

  2. Host-pathogen Interaction at the Intestinal Mucosa Correlates With Zoonotic Potential of Streptococcus suis

    DEFF Research Database (Denmark)

    Ferrando, Maria Laura; de Greeff, Astrid; van Rooijen, Willemien J. M.

    2015-01-01

    Background. Streptococcus suis has emerged as an important cause of bacterial meningitis in adults. The ingestion of undercooked pork is a risk factor for human S. suis serotype 2 (SS2) infection. Here we provide experimental evidence indicating that the gastrointestinal tract is an entry site of...... be considered a food-borne pathogen. S. suis interaction with human and pig IEC correlates with S. suis serotype and genotype, which can explain the zoonotic potential of SS2....... of SS2 infection. Methods. We developed a noninvasive in vivo model to study oral SS2 infection in piglets. We compared in vitro interaction of S. suis with human and porcine intestinal epithelial cells (IEC). Results. Two out of 15 piglets showed clinical symptoms compatible with S. suis infection 24......Background. Streptococcus suis has emerged as an important cause of bacterial meningitis in adults. The ingestion of undercooked pork is a risk factor for human S. suis serotype 2 (SS2) infection. Here we provide experimental evidence indicating that the gastrointestinal tract is an entry site...

  3. Correlative micro-diffraction and differential phase contrast study of mean inner potential and subtle beam-specimen interaction

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Mingjian, E-mail: mingjian.wu@fau.de; Spiecker, Erdmann, E-mail: erdmann.spiecker@fau.de

    2017-05-15

    Highlights: • Correlative micro-diffraction and DPC-STEM as effective and intuitive method for probing nano-scale electric fields/electrostatic potentials. • Mean inner potential accurately measured by electron refraction from cleaved crystal wedge. • Suggested a pseudo-contactless mode for probing electrostatic potential differences by considering subtle displacements of Fresnel fringes. - Abstract: We present a correlative micro-diffraction and differential phase contrast (DPC) study within scanning transmission electron microscopy (STEM) on the determination of mean inner potential (MIP) and explain the origin of subtle beam-specimen interactions at the edge of wedge-shaped crystals using both experiment and simulation. Our measurement of MIP of Si and GaAs resulted in 12.48 ± 0.22 V and 14.15 ± 0.22 V, respectively, from directly evaluating beam refraction in micro-diffraction mode. DPC-STEM measurements gave very similar values. Fresnel fringes within the diffraction disk resulting from interaction of the highly coherent electron beam with the aperture are observed and a numerical simulation scheme is implemented to reproduce the effect of the specimen on the fringe pattern. Perfect agreement between experiment and simulation has been achieved in terms of subtle displacements of the fringes upon approaching the sample edge with the electron probe. The existence of the fringes has minor effect on the DPC-STEM signal, which is well below the noise level of our setup at practically reasonable acquisition times. We suggest the possibility to perform pseudo-contactless probing of weak potential differences in beam sensitive samples by evaluating the subtle displacements of Fresnel fringes quantitatively.

  4. Correlations between interacting Rydberg atoms

    DEFF Research Database (Denmark)

    Paris-Mandoki, Asaf; Braun, Christoph; Hofferberth, Sebastian

    2018-01-01

    This paper is a short introduction to Rydberg physics and quantum nonlinear optics using Rydberg atoms. It has been prepared as a compliment to a series of lectures delivered during the Latin American School of Physics "Marcos Moshinsky" 2017. We provide a short introduction to the properties...... of individual Rydberg atoms and discuss in detail how the interaction potential between Rydberg atom pairs is calculated. We then discuss how this interaction gives rise to the Rydberg blockade mechanism. With the aid of hallmark experiments in the field applications of the blockade for creating correlated...

  5. Correlations between interacting Rydberg atoms

    Science.gov (United States)

    Paris-Mandoki, Asaf; Braun, Christoph; Hofferberth, Sebastian

    2018-04-01

    This paper is a short introduction to Rydberg physics and quantum nonlinear optics using Rydberg atoms. It has been prepared as a compliment to a series of lectures delivered during the Latin American School of Physics "Marcos Moshinsky" 2017. We provide a short introduction to the properties of individual Rydberg atoms and discuss in detail how the interaction potential between Rydberg atom pairs is calculated. We then discuss how this interaction gives rise to the Rydberg blockade mechanism. With the aid of hallmark experiments in the field applications of the blockade for creating correlated quantum systems are discussed. Our aim is to give an overview of this exciting and rapidly evolving field. The interested reader is referred to original work and more comprehensive reviews and tutorials for further details on these subjects.

  6. PEPSI-Dock: a detailed data-driven protein-protein interaction potential accelerated by polar Fourier correlation.

    Science.gov (United States)

    Neveu, Emilie; Ritchie, David W; Popov, Petr; Grudinin, Sergei

    2016-09-01

    Docking prediction algorithms aim to find the native conformation of a complex of proteins from knowledge of their unbound structures. They rely on a combination of sampling and scoring methods, adapted to different scales. Polynomial Expansion of Protein Structures and Interactions for Docking (PEPSI-Dock) improves the accuracy of the first stage of the docking pipeline, which will sharpen up the final predictions. Indeed, PEPSI-Dock benefits from the precision of a very detailed data-driven model of the binding free energy used with a global and exhaustive rigid-body search space. As well as being accurate, our computations are among the fastest by virtue of the sparse representation of the pre-computed potentials and FFT-accelerated sampling techniques. Overall, this is the first demonstration of a FFT-accelerated docking method coupled with an arbitrary-shaped distance-dependent interaction potential. First, we present a novel learning process to compute data-driven distant-dependent pairwise potentials, adapted from our previous method used for rescoring of putative protein-protein binding poses. The potential coefficients are learned by combining machine-learning techniques with physically interpretable descriptors. Then, we describe the integration of the deduced potentials into a FFT-accelerated spherical sampling provided by the Hex library. Overall, on a training set of 163 heterodimers, PEPSI-Dock achieves a success rate of 91% mid-quality predictions in the top-10 solutions. On a subset of the protein docking benchmark v5, it achieves 44.4% mid-quality predictions in the top-10 solutions when starting from bound structures and 20.5% when starting from unbound structures. The method runs in 5-15 min on a modern laptop and can easily be extended to other types of interactions. https://team.inria.fr/nano-d/software/PEPSI-Dock sergei.grudinin@inria.fr. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please e

  7. PEPSI-Dock: a detailed data-driven protein–protein interaction potential accelerated by polar Fourier correlation

    OpenAIRE

    Neveu , Emilie; Ritchie , David; Popov , Petr; Grudinin , Sergei

    2016-01-01

    International audience; Motivation: Docking prediction algorithms aim to find the native conformation of a complex of proteins from knowledge of their unbound structures. They rely on a combination of sampling and scoring methods, adapted to different scales. Polynomial Expansion of Protein Structures and Interactions for Docking (PEPSI-Dock) improves the accuracy of the first stage of the docking pipeline , which will sharpen up the final predictions. Indeed, PEPSI-Dock benefits from the pre...

  8. Single-cell protein secretomic signatures as potential correlates to tumor cell lineage evolution and cell-cell interaction

    Directory of Open Access Journals (Sweden)

    Minsuk eKwak

    2013-02-01

    Full Text Available Secreted proteins including cytokines, chemokines and growth factors represent important functional regulators mediating a range of cellular behavior and cell-cell paracrine/autocrine signaling, e.g. in the immunological system, tumor microenvironment or stem cell niche. Detection of these proteins is of great value not only in basic cell biology but also for diagnosis and therapeutic monitoring of human diseases such as cancer. However, due to co-production of multiple effector proteins from a single cell, referred to as polyfunctionality, it is biologically informative to measure a panel of secreted proteins, or secretomic signature, at the level of single cells. Recent evidence further indicates that a genetically-identical cell population can give rise to diverse phenotypic differences. It is known that cytokines, for example, in the immune system define the effector functions and lineage differentiation of immune cells. In this Perspective Article, we hypothesize that protein secretion profile may represent a universal measure to identify the definitive correlate in the larger context of cellular functions to dissect cellular heterogeneity and evolutionary lineage relationship in human cancer.

  9. Correlation energy generating potentials for molecular hydrogen

    International Nuclear Information System (INIS)

    Sharma, B.S.; Thakkar, A.J.

    1985-01-01

    A variety of local correlation energy functionals are currently in use. All of them depend, to some extent, on modeling the correlation energy of a homogeneous electron fluid. Since atomic and molecular charge densities are neither uniform nor slowly varying, it is important to attempt to use known high accuracy wave functions to learn about correlation energy functionals appropriate to such systems. We have extended the definition of the correlation energy generating potentials V/sub c/ introduced by Ros. A charge density response to correlation has been allowed for by inclusion of an electron--nuclear component V/sup e/n/sub c/ in addition to the electron--electron component V/sup e/e/sub c/. Two different definitions of V/sup e/n/sub c/ are given. We present the first calculations of V/sub c/ for a molecular system: H 2 . The results show that V/sup e/n/sub c/, in either definition, is by no means negligible. Moreover, V/sup e/e/sub c/ and both forms of V/sup e/n/sub c/ show significant nonlocal dependence on the charge density. Calculations with ten different model correlation energy functionals show that none of them is particularly sensitive to the charge density. However, they are quite sensitive to the parametrization of the electron fluid correlation energy. The schemes which include self-interaction corrections (SIC) are found to be superior to those of Kohn--Sham type. The correlation energy generating potentials implied by the SIC type and empirical correlation energy functionals are found to correspond roughly to averages of one of the accurate potentials

  10. General correlation and partial correlation analysis in finding interactions: with Spearman rank correlation and proportion correlation as correlation measures

    OpenAIRE

    WenJun Zhang; Xin Li

    2015-01-01

    Between-taxon interactions can be detected by calculating the sampling data of taxon sample type. In present study, Spearman rank correlation and proportion correlation are chosen as the general correlation measures, and their partial correlations are calculated and compared. The results show that for Spearman rank correlation measure, in all predicted candidate direct interactions by partial correlation, about 16.77% (x, 0-45.4%) of them are not successfully detected by Spearman rank correla...

  11. Diatomic interaction potential theory applications

    CERN Document Server

    Goodisman, Jerry

    2013-01-01

    Diatomic Interaction Potential Theory, Volume 2: Applications discusses the variety of applicable theoretical material and approaches in the calculations for diatomic systems in their ground states. The volume covers the descriptions and illustrations of modern calculations. Chapter I discusses the calculation of the interaction potential for large and small values of the internuclear distance R (separated and united atom limits). Chapter II covers the methods used for intermediate values of R, which in principle means any values of R. The Hartree-Fock and configuration interaction schemes des

  12. Calculation of Rydberg interaction potentials

    International Nuclear Information System (INIS)

    Weber, Sebastian; Büchler, Hans Peter; Tresp, Christoph; Urvoy, Alban; Hofferberth, Sebastian; Menke, Henri; Firstenberg, Ofer

    2017-01-01

    The strong interaction between individual Rydberg atoms provides a powerful tool exploited in an ever-growing range of applications in quantum information science, quantum simulation and ultracold chemistry. One hallmark of the Rydberg interaction is that both its strength and angular dependence can be fine-tuned with great flexibility by choosing appropriate Rydberg states and applying external electric and magnetic fields. More and more experiments are probing this interaction at short atomic distances or with such high precision that perturbative calculations as well as restrictions to the leading dipole–dipole interaction term are no longer sufficient. In this tutorial, we review all relevant aspects of the full calculation of Rydberg interaction potentials. We discuss the derivation of the interaction Hamiltonian from the electrostatic multipole expansion, numerical and analytical methods for calculating the required electric multipole moments and the inclusion of electromagnetic fields with arbitrary direction. We focus specifically on symmetry arguments and selection rules, which greatly reduce the size of the Hamiltonian matrix, enabling the direct diagonalization of the Hamiltonian up to higher multipole orders on a desktop computer. Finally, we present example calculations showing the relevance of the full interaction calculation to current experiments. Our software for calculating Rydberg potentials including all features discussed in this tutorial is available as open source. (tutorial)

  13. Calculation of Rydberg interaction potentials

    DEFF Research Database (Denmark)

    Weber, Sebastian; Tresp, Christoph; Menke, Henri

    2017-01-01

    for calculating the required electric multipole moments and the inclusion of electromagnetic fields with arbitrary direction. We focus specifically on symmetry arguments and selection rules, which greatly reduce the size of the Hamiltonian matrix, enabling the direct diagonalization of the Hamiltonian up...... to higher multipole orders on a desktop computer. Finally, we present example calculations showing the relevance of the full interaction calculation to current experiments. Our software for calculating Rydberg potentials including all features discussed in this tutorial is available as open source....

  14. On singular interaction potentials in classical statistical mechanics

    International Nuclear Information System (INIS)

    Zagrebnov, V.A.; Pastur, L.A.

    1978-01-01

    A classical system of particles with stable two-body interaction potential is considered. It is shown that for a certain class of highly singular stable two-body potentials a cut-off procedure preserves the stability of the potential. The thermodynamical potentials (pressure and free energy density) and correlation functions are proved to have the property of asymptotic independence with respect to the continuation of the interaction potentials near singularity

  15. Unbiased diffusion of Brownian particles on disordered correlated potentials

    International Nuclear Information System (INIS)

    Salgado-Garcia, Raúl; Maldonado, Cesar

    2015-01-01

    In this work we study the diffusion of non-interacting overdamped particles, moving on unbiased disordered correlated potentials, subjected to Gaussian white noise. We obtain an exact expression for the diffusion coefficient which allows us to prove that the unbiased diffusion of overdamped particles on a random polymer does not depend on the correlations of the disordered potentials. This universal behavior of the unbiased diffusivity is a direct consequence of the validity of the Einstein relation and the decay of correlations of the random polymer. We test the independence on correlations of the diffusion coefficient for correlated polymers produced by two different stochastic processes, a one-step Markov chain and the expansion-modification system. Within the accuracy of our simulations, we found that the numerically obtained diffusion coefficient for these systems agree with the analytically calculated ones, confirming our predictions. (paper)

  16. Electron-phonon interactions in correlated systems

    International Nuclear Information System (INIS)

    Wysokinski, K.I.

    1996-01-01

    There exist attempts to describe the superconducting mechanism operating in HTS as based on antiferromagnetic fluctuations. It is not our intention to dwell on the superconducting mechanism, even though this is very a important issue. The main aim is to discuss the problem of interplay between electron-phonon and electron-electron interactions in correlated systems. We believe such analysis can be of importance for various materials and not only HTS'S. We shall however mainly refer to experiments on this last class of superconductors. Severe complications are to be expected by studying the problem. As is well known electron correlations are very important in narrow band systems, where the relevant electronic scale E F is quite small. In those circumstances, the phonon energy scale ω D is of comparable magnitude, with the ratio ω D /E F of order 1 signalling a possible break down of the Migdal - Eliashberg description of the electron-phonon interaction in metals. Here we shall assume the validity of the Migdal-Eliashberg approximation and concentrate on the mutual influence of electron and phonon subsystems. In the next section we shall discuss experimental motivation for and theoretical work related to the present problem. Section 3 contains a brief discussion of our theory. It is a self-consistent theory a la Migdal with strong correlations treated with an auxiliary boson technique. We conclude with results and their discussion. (orig.)

  17. Pairing correlations in a fissioning potential well

    International Nuclear Information System (INIS)

    Krappe, H.J.; Fadeev, S.

    1999-01-01

    To describe pairing correlations in a fissioning system one commonly projects the BCS wave function separately onto good particle numbers in each fragment in the exit channel, but only onto the total number of particles in the parent system. We propose to interpolate between these limiting situations by the generator-coordinate method with the particle-number difference between the nascent fragments as the generator coordinate. Model calculations are presented for the Hill-Wheeler box potential with a δ-function diaphragm to mimic scission

  18. Calculation of Rydberg interaction potentials

    DEFF Research Database (Denmark)

    Weber, Sebastian; Tresp, Christoph; Menke, Henri

    2017-01-01

    The strong interaction between individual Rydberg atoms provides a powerful tool exploited in an ever-growing range of applications in quantum information science, quantum simulation and ultracold chemistry. One hallmark of the Rydberg interaction is that both its strength and angular dependence...... for calculating the required electric multipole moments and the inclusion of electromagnetic fields with arbitrary direction. We focus specifically on symmetry arguments and selection rules, which greatly reduce the size of the Hamiltonian matrix, enabling the direct diagonalization of the Hamiltonian up...

  19. Monopole-antimonopole interaction potential

    Science.gov (United States)

    Saurabh, Ayush; Vachaspati, Tanmay

    2017-11-01

    We numerically study the interactions of twisted monopole-antimonopole pairs in the 't Hooft-Polyakov model for a range of values of the scalar to vector mass ratio. We also recover the sphaleron solution at maximum twist discovered by Taubes [Commun. Math. Phys. 86, 257 (1982), 10.1007/BF01206014] and map out its energy and size as functions of parameters.

  20. Electron correlation effects on the N2--N2 interaction

    International Nuclear Information System (INIS)

    Hay, P.J.; Pack, R.T.; Martin, R.L.

    1984-01-01

    Ab initio self-consistent field, configuration interaction, and many-body perturbation theory methods are used to calculate the intermolecular potential between two nitrogen molecules. The emphasis is placed on the repulsive region important at the temperatures and pressures encountered in detonations. In addition, electron gas calculations are employed to fit and extend the ab initio data. We also generate effective spherical potentials which fit dilute gas virial, viscosity, and differential scattering data while being constrained by Hugoniot or ab initio data in the repulsive region. Finally, we discuss the roles of electron correlation and of many-body effects on the N 2 --N 2 interaction. Comparisons are also made to the Ar 2 potential where similar ab initio calculations are compared to an accurate empirical potential

  1. Electrophysiological Correlates of Reading the Single- and Interactive-Mind

    Science.gov (United States)

    Wang, Yi-Wen; Zheng, Yu-Wei; Lin, Chong-De; Wu, Jie; Shen, De-Li

    2011-01-01

    Understanding minds is the cognitive basis of successful social interaction. In everyday life, human mental activity often happens at the moment of social interaction among two or multiple persons instead of only one-person. Understanding the interactive mind of two- or multi-person is more complex and higher than understanding the single-person mind in the hierarchical structure of theory of mind. Understanding the interactive mind maybe differentiate from understanding the single mind. In order to examine the dissociative electrophysiological correlates of reading the single mind and reading the interactive mind, the 64 channels event-related potentials were recorded while 16 normal adults were observing three kinds of Chinese idioms depicted physical scenes, one-person with mental activity, and two- or multi-person with mental interaction. After the equivalent N400, in the 500- to 700-ms epoch, the mean amplitudes of late positive component (LPC) over frontal for reading the single mind and reading the interactive mind were significantly more positive than for physical representation, while there was no difference between the former two. In the 700- to 800-ms epoch, the mean amplitudes of LPC over frontal–central for reading the interactive mind were more positive than for reading the single mind and physical representation, while there was no difference between the latter two. The present study provides electrophysiological signature of the dissociations between reading the single mind and reading the interactive mind. PMID:21845178

  2. Electrophysiological correlates of reading the single- and interactive-mind

    Directory of Open Access Journals (Sweden)

    Yi-Wen eWang

    2011-07-01

    Full Text Available Understanding minds is the cognitive basis of successful social interaction. In everyday life, human mental activity often happens at the moment of social interaction among two or multiple persons instead of only one person. Understanding the interactive mind of two- or multi-person is more complex and higher than understanding the single-person mind in the hierarchical structure of theory-of-mind. Understanding the interactive mind maybe differentiate from understanding the single mind. In order to examine the dissociative electrophysiological correlates of reading the single mind and reading the interactive mind, the 64 channels event-related potentials (ERP were recorded while 16 normal adults were observing three kinds of Chinese idioms depicted physical scenes, one-person with mental activity and two- or multi-person with mental interaction. After the equivalent N400, in the 500- to 700-ms epoch, the mean amplitudes of late positive component (LPC over frontal for reading the single mind and reading the interactive mind were significantly more positive than for physical representation, while there was no difference between the former two. In the 700-to 800-ms epoch, the mean amplitudes of LPC over frontal-central for reading the interactive mind were more positive than for reading the single mind and physical representation, while there was no difference between the latter two. The present study provides electrophysiological signature of the dissociations between reading the single mind and reading the interactive mind.

  3. Correlation between family interaction and adolescents’ attitudes

    Directory of Open Access Journals (Sweden)

    Rozana Petani

    2011-10-01

    Full Text Available The impact of the family on the individual is very powerful and life-long. The family differs from other factors because the individual spends the most time in the family environment. In his family the child makes his first steps, utters the first words, starts gaining knowledge, learns his first value, forms attitudes and forms the foundation for the later development as a complete personality. Parents are the first and most responsible educators of their child, and upbringing is the most important and probably the hardest task of every parent. The period of adolescence is very important in every person’s life, especially because of the process of separation and individuation. This is a transitional period from childhood to maturity with the greatest dynamics in the development of the individual. In this period adolescents change and mature. They are able to make independent decisions. Relationships with their parents play an important role in shaping their behavior. The paper observes the family through family interaction, which consists of the following dimensions: satisfaction with their own families, acceptance and rejection by the mother and father. The aim of this study was to examine whether dimensions of parental behavior and satisfaction with their own families, perceived by adolescents, are associated with adolescents’ attitudes to some aspects of family life. The study was conducted on 862 students of the final year of high school, of whom 385 were male and 477 female. The results showed a statistically significant correlation between the assessed family interaction dimensions and adolescents’ attitudes to family life, with the exception of the attitude to work. The results obtained can be used in organizing programs focusing on preparation of young people for parental and marital roles and strengthening the skills required later in their family lives for constructive solving of the problems they will encounter.

  4. Iterated interactions method. Realistic NN potential

    International Nuclear Information System (INIS)

    Gorbatov, A.M.; Skopich, V.L.; Kolganova, E.A.

    1991-01-01

    The method of iterated potential is tested in the case of realistic fermionic systems. As a base for comparison calculations of the 16 O system (using various versions of realistic NN potentials) by means of the angular potential-function method as well as operators of pairing correlation were used. The convergence of genealogical series is studied for the central Malfliet-Tjon potential. In addition the mathematical technique of microscopical calculations is improved: new equations for correlators in odd states are suggested and the technique of leading terms was applied for the first time to calculations of heavy p-shell nuclei in the basis of angular potential functions

  5. Hyperspherical effective interaction for nonlocal potentials

    International Nuclear Information System (INIS)

    Barnea, N.; Leidemann, W.; Orlandini, G.

    2010-01-01

    The effective interaction hyperspherical-harmonics method, formulated for local forces, is generalized to accommodate nonlocal interactions. As for local potentials this formulation retains the separation of the hyper-radial part leading solely to a hyperspherical effective interaction. By applying the method to study ground-state properties of 4 He with a modern effective-field-theory nucleon-nucleon potential model (Idaho-N3LO), one finds a substantial acceleration in the convergence rate of the hyperspherical-harmonics series. Also studied are the binding energies of the six-body nuclei 6 He and 6 Li with the JISP16 nuclear force. Again an excellent convergence is observed.

  6. On the sensitivity of nucleon-nucleon correlations to the form of short-range potential

    International Nuclear Information System (INIS)

    Gmitro, M.; Kvasil, J.; Lednicky, R.; Lyuboshitz, V.L.

    1986-01-01

    Nucleon-nucleon correlation characteristics are calculated for several phenomenological and realistic strong potentials. The results show that a square-well potential reasonably well approximates the nucleon-nucleon interaction if one calculates the correlations between nucleons generated in a region with an r.m.s. radius larger than 1.5-2 fm. Vice versa, the correlations of nucleons emitted from a smaller generation region are sensitive to the form of the assumed nucleon-nucleon potential. (author)

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

    International Nuclear Information System (INIS)

    Zhou, Yongxi; Ernzerhof, Matthias; Bahmann, Hilke

    2015-01-01

    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

  8. Localization in a one-dimensional spatially correlated random potential

    International Nuclear Information System (INIS)

    Kasner, M.; Weller, W.

    1986-01-01

    The motion of an electron in a random one-dimensional spatially correlated potential is investigated. The spatial correlation is generated by a Markov chain. It is shown that the influence of the spatial correlation can be described by means of oscillating vertices usually neglected in the Berezinskii diagram technique. Correlation mainly leads to an increase of the localization length in comparison with an uncorrelated potential. However, there is a region of the parameter, where the localization decreases. (author)

  9. Interaction potential for two different atoms

    International Nuclear Information System (INIS)

    Kuzmichev, V.E.; Peresypkin, V.V.

    1991-01-01

    Using the rigorous approach to the nonrelativistic four Coulomb particle problem the interaction potentials between an ordinary hydrogen and muonic-hydrogen atoms at large: R>a e +a μ (1), and intermediate: a e >R>>a μ (2) distances, where a e and a μ are the Bohr radii, are calculated in the adiabatic approximation. The van der Waals potential constants in the region (1) and an explicit potential form in the region (2) taking into account both the polarization effects and the electron screening corrections are determined. 10 refs

  10. Potential intravenous drug interactions in intensive care

    Directory of Open Access Journals (Sweden)

    Maiara Benevides Moreira

    Full Text Available Abstract OBJECTIVE To analyze potential intravenous drug interactions, and their level of severity associated with the administration of these drugs based on the prescriptions of an intensive care unit. METHOD Quantitative study, with aretrospective exploratory design, and descriptive statistical analysis of the ICU prescriptions of a teaching hospital from March to June 2014. RESULTS The sample consisted of 319 prescriptions and subsamples of 50 prescriptions. The mean number of drugs per patient was 9.3 records, and a higher probability of drug interaction inherent to polypharmacy was evidenced. The study identified severe drug interactions, such as concomitant administration of Tramadol with selective serotonin reuptake inhibitor drugs (e.g., Metoclopramide and Fluconazole, increasing the risk of seizures due to their epileptogenic actions, as well as the simultaneous use of Ranitidine-Fentanyl®, which can lead to respiratory depression. CONCLUSION A previous mapping of prescriptions enables the characterization of the drug therapy, contributing to prevent potential drug interactions and their clinical consequences.

  11. Azimuthally matched interactions and azimuthal correlation of Bessel light beams

    International Nuclear Information System (INIS)

    Khilo, N A

    2000-01-01

    A theoretical investigation is reported of the regime of azimuthally matched interactions in the process of conversion of the frequency of Bessel light beams. It is shown that this nonlinear interaction regime is accompanied by the establishment of correlations of the mutual azimuthal orientations of plane-wave components of Bessel beams and by an increase in the overlap integral. (nonlinear optical phenomena)

  12. Factors Correlated with the Interactional Diversity of Community College Students

    Science.gov (United States)

    Jones, Willis A.

    2016-01-01

    This study used data from the Community College Survey of Student Engagement (CCSSE) to examine how student background characteristics, student engagement, and institutional characteristics correlate with the frequency of interactional diversity among community college students. Given the current lack of research on interactional diversity among…

  13. Orbital correlation effects. II. Potential curve and ionization potential of boron hydride

    International Nuclear Information System (INIS)

    Mehler, E.L.; Van der Vele, G.A.; Nieuwpoort, W.C.

    1975-01-01

    With the help of the independent pair-potential approximation (IPPA) the valence-shell correlation effects in BH have been calculated at nine internuclear separations. The results are compared with several other methods, including the coupled electron pair approximation (CEPA) and a full configuration interaction expansion. The stability of the IPPA against a unitary transformation of the occupied orbitals has also been investigated, and it is shown that the IPPA is nearly invariant against such transformations. The Dunham procedure has been applied to the results, and the spectroscopic constants obtained from the various approximations are compared. It is furthermore demonstrated that many of the defects present in the Hartree--Fock part of the potential curve and arising from the use of medium-quality basis sets can be eliminated by combining the correlation results with Hartree--Fock results from good-quality basis sets and reapplying the Dunham procedure. Finally the IPPA has been applied to BH + , and the first vertical ionization potential of BH was determined

  14. Coulomb holes and correlation potentials in the helium atom

    International Nuclear Information System (INIS)

    Slamet, M.; Sahni, V.

    1995-01-01

    Thus, the asymptotic structure of the exchange-correlation potential W xc (r) of the work formalism is that of W x (r) which is (-1/r). We also detemine via the Kinoshita wave function the correlation potential μ c (r) of Kohn-Sham theory, which differs from W c (r) in that it also incorporates the effects of the correlation contribution to the kinetic energy. Consequently, it is less attractive than W c (r), but also has zero slope at the nucleus. However, as is known, the potential μ c (r) is nonmonotonic, since it goes positive within the atom, then becomes negative in the classically forbidden region, finally vanishing asymptotically as a negative function. Since the exchange potentials of the work formalism and Kohn-Sham theory are the same for this atom, and because W c (r) is strictly representative of Coulomb correlations, we attribute the nonmonotonicity and positiveness of the Kohn-Sham potential μ c (r) to the correlation kinetic energy. This conclusion is consistent with the result that the difference between the correlation energies determined within the work formalism from the dynamic Coulomb hole and Kohn-Sham theory is equal to the correlation contribution to the kinetic energy

  15. Exact exchange-correlation potential and approximate exchange potential in terms of density matrices

    International Nuclear Information System (INIS)

    Holas, A.; March, N.H.

    1995-01-01

    An exact expression in terms of density matrices (DM) is derived for δF[n]/δn(r), the functional derivative of the Hohenberg-Kohn functional. The derivation starts from the differential form of the virial theorem, obtained here for an electron system with arbitrary interactions, and leads to an expression taking the form of an integral over a path that can be chosen arbitrarily. After applying this approach to the equivalent system of noninteracting electrons (Slater-Kohn-Sham scheme) and combining the corresponding result with the previous one, an exact expression for the exchange-correlation potential v xc (r) is obtained which is analogous in character to that for δF[n]/δn(r), but involving, besides the interacting-system DMs, also the noninteracitng DMs. Equating the former DMs to the latter ones, we reduce the result for the exact v xc (r) to that for an approximate exchange-only potential v x (r). This leads naturally to the Harbola-Sahni exchange-only potential

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

    International Nuclear Information System (INIS)

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

    2004-01-01

    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

  17. Correlation between ionospheric potential and the intensity of cosmic rays

    International Nuclear Information System (INIS)

    Meyerott, R.E.; Reagan, J.B.; Evans, J.E.

    1983-01-01

    Ionospheric potential variations with a period of about 10 yr have been observed in the data that have been acquired to date. Previous studies have shown that these variations appear to be correlated inversely with sunspot number and with solar wind velocity, and directly with cosmic ray intensity. Since the cosmic ray intensity is inversely correlated with sunspot number and solar wind velocity, these correlations all suggest that the long period variations are of solar origin. In this report it is shown that, over the limited period for which ionospheric potential measurements exist, the long period variations are better correlated with the aerosol burden injected into the stratosphere by large volcanic eruptions than with the intensity of cosmic rays. This result indicates that the long period variations in ionospheric potential are of terrestrial rather than solar origin. 20 references

  18. Potential intravenous drug interactions in intensive care.

    Science.gov (United States)

    Moreira, Maiara Benevides; Mesquita, Maria Gefé da Rosa; Stipp, Marluci Andrade Conceição; Paes, Graciele Oroski

    2017-07-20

    To analyze potential intravenous drug interactions, and their level of severity associated with the administration of these drugs based on the prescriptions of an intensive care unit. Quantitative study, with aretrospective exploratory design, and descriptive statistical analysis of the ICU prescriptions of a teaching hospital from March to June 2014. The sample consisted of 319 prescriptions and subsamples of 50 prescriptions. The mean number of drugs per patient was 9.3 records, and a higher probability of drug interaction inherent to polypharmacy was evidenced. The study identified severe drug interactions, such as concomitant administration of Tramadol with selective serotonin reuptake inhibitor drugs (e.g., Metoclopramide and Fluconazole), increasing the risk of seizures due to their epileptogenic actions, as well as the simultaneous use of Ranitidine-Fentanyl®, which can lead to respiratory depression. A previous mapping of prescriptions enables the characterization of the drug therapy, contributing to prevent potential drug interactions and their clinical consequences. Analisar as potenciais interações medicamentosas intravenosas e seu grau de severidade associadas à administração desses medicamentos a partir das prescrições do Centro de Terapia Intensiva. Estudo quantitativo, tipologia retrospectiva exploratória, com análise estatística descritiva das prescrições medicamentosas do Centro de Terapia Intensiva de um Hospital Universitário, no período de março-junho/2014. A amostra foi composta de 319 prescrições e subamostras de 50 prescrições. Constatou-se que a média de medicamentos por paciente foi de 9,3 registros, e evidenciou-se maior probabilidade para ocorrência de interação medicamentosa inerente à polifarmácia. O estudo identificou interações medicamentosas graves, como a administração concomitante de Tramadol com medicamentos inibidores seletivos da recaptação da serotonina, (exemplo: Metoclopramida e Fluconazol

  19. PRESENTATION POTENTIAL USING IN PEDAGOGICAL INTERACTION PROCESS

    Directory of Open Access Journals (Sweden)

    Olga V. Ershova

    2016-01-01

    Full Text Available The given article is aimed at considering multimedia presentation potential and its influence on strengthening classroom teacher-student interaction. In the article the importance of using this kind of activity in the study process is pointed in connection with educational state policy on the one hand. On the other hand, gained students’ skills as a final result of work with presentations met employers’ demand for both parent and world labour-markets and bring competitive benefit to the candidates. Scientific novelty and results. Multimedia presentation is considered as a specific complex of classroom activities. The students are oriented on the self analysis and presentation assessment. It is shown that well-organized process of peer students’ assessment allows to simultaneously helping in solving the didactic and methodical problems. To this purpose the system of assessment criteria should be developed. It has to be clear for students for making assessment feasible and time-saving. The example of a possible variant of criteria system is described; quality of the presentations prepared by students can be defined based on such system criteria. The author also analyzed software products of the three main platforms (Windows, Linux, MacOs which have different tools and allow to follow users’ needs for creating presentations. In the article there is a comparative table of the two most popular software development: the program Microsoft PowerPoint and the web-service Prezi for realizing the relevance of their use in the study process. Practical significance of the present article concludes in author’s suggestions of some recommendations for presentation potential use as a tool of improving pedagogical interaction process with contemporary students. 

  20. Localization for random Schroedinger operators with correlated potentials

    Energy Technology Data Exchange (ETDEWEB)

    Von Dreifus, H [Princeton Univ., NJ (USA). Dept. of Physics; Klein, A [California Univ., Irvine (USA). Dept. of Mathematics

    1991-08-01

    We prove localization at high disorder or low energy for lattice Schroedinger operators with random potentials whose values at different lattice sites are correlated over large distances. The class of admissible random potentials for our multiscale analysis includes potentials with a stationary Gaussian distribution whose covariance function C(x,y) decays as vertical strokex-yvertical stroke{sup -{theta}}, where {theta}>0 can be arbitrarily small, and potentials whose probability distribution is a completely analytical Gibbs measure. The result for Gaussian potentials depends on a multivariable form of Nelson's best possible hypercontractive estimate. (orig.).

  1. Inclusive rapidity correlations of π- mesons in pp interactions

    International Nuclear Information System (INIS)

    Golokhvastov, A.I.

    1994-01-01

    The simple single-parameter approximation of one-particle semi-inclusive rapidity distributions of negative particles (π - mesons) in pp interactions at various multiplicities over the investigated range of primary momenta 6.6 -400 GeV/c is presented. Assuming the lack of any kind of correlations in semi-inclusive events, a good description of experimental data on two-particle inclusive rapidity correlations (pseudocorrelations) is obtained. Data on forward-backward, right-left correlations and multiplicity distributions in rapidity intervals and intervals separated by empty gaps do not contradict independent π - production either. (orig.)

  2. Final state interaction effect on correlations in narrow particles pairs

    International Nuclear Information System (INIS)

    Lednicky, R.; Lyuboshitz, V.L.

    1990-01-01

    In this paper the dependence of the two-particle correlation function on the space-time dimensions of the particle production region is discussed. The basic formulae, taking into account he effects of quantum statistics and final state interaction, and the conditions of their applicability are given

  3. Interaction potentials and their effect on crystal nucleation and symmetry

    International Nuclear Information System (INIS)

    Hsu, C.S.; Rahman, A.

    1979-01-01

    Molecular dynamics technique has been used to study the effect of the interaction potential on crystal nucleation and the symmetry of the nucleated phase. Four systems, namely rubidium, Lennard-Jones, rubidium-truncated, and Lennard-Jones-truncated, have been studied each at reduced density 0.95. Two types of calculations were performed. Firstly, starting from a liquid state, each system was quenched rapidly to a reduced temperature of approx.0.1. The nucleation process for these systems was monitored by studying the time dependence of temperature and the pair correlation function, and the resulting crystalline structure analyzed using among other properties the Voronoi polyhedra. Only in the case of rubidium was a b.c.c. structure nucleated. In the other three cases we obtained a f.c.c. ordering. Secondly, we have studied the effect of changing the interaction potential in a system which has already achieved an ordered state under the action of some other potential. After establishing a b.c.c. structure in a rubidium system, the change in the symmetry of the system was studied when the pair potential was modified to one of the other three forms. The results from both types of calculations are consistent: the rubidium potential leads to a b.c.c. structure while the other three potentials give an f.c.c. structure. Metastable disordered structures were not obtained in any of the calculations. However, the time elapse between the moment when the system is quick-quenched and the moment when nucleation occurs appears to depend upon the potential of interaction

  4. Exploring the correlation between annual precipitation and potential evaporation

    Science.gov (United States)

    Chen, X.; Buchberger, S. G.

    2017-12-01

    The interdependence between precipitation and potential evaporation is closely related to the classic Budyko framework. In this study, a systematic investigation of the correlation between precipitation and potential evaporation at the annual time step is conducted at both point scale and watershed scale. The point scale precipitation and potential evaporation data over the period of 1984-2015 are collected from 259 weather stations across the United States. The watershed scale precipitation data of 203 watersheds across the United States are obtained from the Model Parameter Estimation Experiment (MOPEX) dataset from 1983 to 2002; and potential evaporation data of these 203 watersheds in the same period are obtained from a remote-sensing algorithm. The results show that majority of the weather stations (77%) and watersheds (79%) exhibit a statistically significant negative correlation between annual precipitation and annual potential evaporation. The aggregated data cloud of precipitation versus potential evaporation follows a curve based on the combination of the Budyko-type equation and Bouchet's complementary relationship. Our result suggests that annual precipitation and potential evaporation are not independent when both Budyko's hypothesis and Bouchet's hypothesis are valid. Furthermore, we find that the wet surface evaporation, which is controlled primarily by short wave radiation as defined in Bouchet's hypothesis, exhibits less dependence on precipitation than the potential evaporation. As a result, we suggest that wet surface evaporation is a better representation of energy supply than potential evaporation in the Budyko framework.

  5. Kohn–Sham exchange-correlation potentials from second-order reduced density matrices

    Energy Technology Data Exchange (ETDEWEB)

    Cuevas-Saavedra, Rogelio; Staroverov, Viktor N., E-mail: vstarove@uwo.ca [Department of Chemistry, The University of Western Ontario, London, Ontario N6A 5B7 (Canada); Ayers, Paul W. [Department of Chemistry and Chemical Biology, McMaster University, Hamilton, Ontario L8S 4M1 (Canada)

    2015-12-28

    We describe a practical algorithm for constructing the Kohn–Sham exchange-correlation potential corresponding to a given second-order reduced density matrix. Unlike conventional Kohn–Sham inversion methods in which such potentials are extracted from ground-state electron densities, the proposed technique delivers unambiguous results in finite basis sets. The approach can also be used to separate approximately the exchange and correlation potentials for a many-electron system for which the reduced density matrix is known. The algorithm is implemented for configuration-interaction wave functions and its performance is illustrated with numerical examples.

  6. Correlations in hadron-hadron interactions at high energy

    International Nuclear Information System (INIS)

    Nguyen Huu Khanh

    1978-01-01

    Some main features of the experimental results on the correlations in hadron-hadron interactions at high energy are considered. Particular attention is paid to the long-range correlation, short-range correlation and Bose-Einstein effect. Long-range correlations are confirmed by the variation of the number of charged particles produced in the final state depending on energy, violation of Koba-Nielsen- Olesen scaling and the analysis of correlation betWeen the numbers of charged particles emitted in the forward and backward hemispheres. Short-range correlations are discussed from the point of view of ISR pp, 195 GeV/c pN and 32 GeV/c k + p experiments. Bose-Einstein effects are studied up to now only between pions. Pions are not produced directly but from the decay of heavier objects. Some experimental results seem to support the evidence for dynamical long-range correlations. Most of the data are compatible with the independent cluster model

  7. Density-scaling exponents and virial potential-energy correlation ...

    Indian Academy of Sciences (India)

    This paper investigates the relation between the density-scaling exponent γ and the virial potential energy correlation coefficient R at several thermodynamic state points in three dimensions for the generalized (2n, n) Lennard-Jones (LJ) system for n = 4, 9, 12, 18, as well as for the standard n = 6 LJ system in two,three, and ...

  8. Personal Well-Being and Family Interactions of Working Couples With Preschool Children: A Correlational Study

    Directory of Open Access Journals (Sweden)

    Danila Secolim Coser

    2013-09-01

    Full Text Available This study’s objective was to verify potential relationships among personal well-being, parental practices, and interactions between parents and preschool children reported by working fathers and mothers ( n = 120, 60 couples from a city in the interior of São Paulo, Brazil. Data were collected using the Questionnaire on family and professional lives. Three scales were selected for data analysis: well-being; interaction between parents and children; and family life. Statistical tests (One-Way ANOVA and Pearson’s correlation coefficient showed negative correlations between child-rearing practices and health problems reported by parents. Positive correlations were also found between reported parental interactions and child-rearing practices. Parental practices and interactions between parents and children varied according to the number of children (one or two.

  9. Oscillatory wake potential with exchange-correlation in plasmas

    Science.gov (United States)

    Khan, Arroj A.; Zeba, I.; Jamil, M.; Asif, M.

    2017-12-01

    The oscillatory wake potential of a moving test charge is studied in quantum dusty plasmas. The plasma system consisting of electrons, ions and negatively charged dust species is embedded in an ambient magnetic field. The modified equation of dispersion is derived using a Quantum Hydrodynamic Model for magnetized plasmas. The quantum effects are inculcated through Fermi degenerate pressure, the tunneling effect and exchange-correlation effects. The study of oscillatory wake is important to know the existence of silence zones in space and astrophysical objects as well as for crystal formation. The graphical description of the potential depicts the significance of the exchange and correlation effects arising through spin and other variables on the wake potential.

  10. Neural correlate of human reciprocity in social interactions

    Directory of Open Access Journals (Sweden)

    Shiro eSakaiya

    2013-12-01

    Full Text Available Reciprocity plays a key role maintaining cooperation in society. However, little is known about the neural process that underpins human reciprocity during social interactions. Our neuroimaging study manipulated partner identity (computer, human and strategy (random, tit-for-tat in repeated prisoner’s dilemma games and investigated the neural correlate of reciprocal interaction with humans. Reciprocal cooperation with humans but exploitation of computers by defection was associated with activation in the left amygdala. Amygdala activation was also positively and negatively correlated with a preference change for human partners following tit-for-tat and random strategies, respectively. The correlated activation represented the intensity of positive feeling toward reciprocal and negative feeling toward non-reciprocal partners, and so reflected reciprocity in social interaction. Reciprocity in social interaction, however, might plausibly be misinterpreted and so we also examined the neural coding of insight into the reciprocity of partners. Those with and without insight revealed differential brain activation across the reward-related circuitry (i.e., the right middle dorsolateral prefrontal cortex and dorsal caudate and theory of mind (ToM regions (i.e., ventromedial prefrontal cortex [VMPFC] and precuneus. Among differential activations, activation in the precuneus, which accompanied deactivation of the VMPFC, was specific to those without insight into human partners who were engaged in a tit-for-tat strategy. This asymmetric (deactivation might involve specific contributions of ToM regions to the human search for reciprocity. Consequently, the intensity of emotion attached to human reciprocity was represented in the amygdala, whereas insight into the reciprocity of others was reflected in activation across the reward-related and ToM regions. This suggests the critical role of mentalizing, which was not equated with reward expectation during

  11. Neural correlate of human reciprocity in social interactions.

    Science.gov (United States)

    Sakaiya, Shiro; Shiraito, Yuki; Kato, Junko; Ide, Hiroko; Okada, Kensuke; Takano, Kouji; Kansaku, Kenji

    2013-01-01

    Reciprocity plays a key role maintaining cooperation in society. However, little is known about the neural process that underpins human reciprocity during social interactions. Our neuroimaging study manipulated partner identity (computer, human) and strategy (random, tit-for-tat) in repeated prisoner's dilemma games and investigated the neural correlate of reciprocal interaction with humans. Reciprocal cooperation with humans but exploitation of computers by defection was associated with activation in the left amygdala. Amygdala activation was also positively and negatively correlated with a preference change for human partners following tit-for-tat and random strategies, respectively. The correlated activation represented the intensity of positive feeling toward reciprocal and negative feeling toward non-reciprocal partners, and so reflected reciprocity in social interaction. Reciprocity in social interaction, however, might plausibly be misinterpreted and so we also examined the neural coding of insight into the reciprocity of partners. Those with and without insight revealed differential brain activation across the reward-related circuitry (i.e., the right middle dorsolateral prefrontal cortex and dorsal caudate) and theory of mind (ToM) regions [i.e., ventromedial prefrontal cortex (VMPFC) and precuneus]. Among differential activations, activation in the precuneus, which accompanied deactivation of the VMPFC, was specific to those without insight into human partners who were engaged in a tit-for-tat strategy. This asymmetric (de)activation might involve specific contributions of ToM regions to the human search for reciprocity. Consequently, the intensity of emotion attached to human reciprocity was represented in the amygdala, whereas insight into the reciprocity of others was reflected in activation across the reward-related and ToM regions. This suggests the critical role of mentalizing, which was not equated with reward expectation during social interactions.

  12. Correlation function of weakly interacting bosons in a disordered lattice

    Energy Technology Data Exchange (ETDEWEB)

    Deissler, B; Lucioni, E; Modugno, M; Roati, G; Tanzi, L; Zaccanti, M; Inguscio, M; Modugno, G, E-mail: deissler@lens.unifi.it, E-mail: modugno@lens.unifi.it [LENS and Dipartimento di Fisica e Astronomia, Universita di Firenze, 50019 Sesto Fiorentino (Italy)

    2011-02-15

    One of the most important issues in disordered systems is the interplay of the disorder and repulsive interactions. Several recent experimental advances on this topic have been made with ultracold atoms, in particular the observation of Anderson localization and the realization of the disordered Bose-Hubbard model. There are, however, still questions as to how to differentiate the complex insulating phases resulting from this interplay, and how to measure the size of the superfluid fragments that these phases entail. It has been suggested that the correlation function of such a system can give new insights, but so far very little experimental investigation has been performed. Here, we show the first experimental analysis of the correlation function for a weakly interacting, bosonic system in a quasiperiodic lattice. We observe an increase in the correlation length as well as a change in the shape of the correlation function in the delocalization crossover from Anderson glass to coherent, extended state. In between, the experiment indicates the formation of progressively larger coherent fragments, consistent with a fragmented BEC, or Bose glass.

  13. Correlation function of weakly interacting bosons in a disordered lattice

    International Nuclear Information System (INIS)

    Deissler, B; Lucioni, E; Modugno, M; Roati, G; Tanzi, L; Zaccanti, M; Inguscio, M; Modugno, G

    2011-01-01

    One of the most important issues in disordered systems is the interplay of the disorder and repulsive interactions. Several recent experimental advances on this topic have been made with ultracold atoms, in particular the observation of Anderson localization and the realization of the disordered Bose-Hubbard model. There are, however, still questions as to how to differentiate the complex insulating phases resulting from this interplay, and how to measure the size of the superfluid fragments that these phases entail. It has been suggested that the correlation function of such a system can give new insights, but so far very little experimental investigation has been performed. Here, we show the first experimental analysis of the correlation function for a weakly interacting, bosonic system in a quasiperiodic lattice. We observe an increase in the correlation length as well as a change in the shape of the correlation function in the delocalization crossover from Anderson glass to coherent, extended state. In between, the experiment indicates the formation of progressively larger coherent fragments, consistent with a fragmented BEC, or Bose glass.

  14. The nucleon-nucleon correlations and the integral characteristics of the potential distributions in nuclei

    International Nuclear Information System (INIS)

    Knyaz'kov, O.M.; Kukhtina, I.N.

    1989-01-01

    The integral characteristics of the potential distribution in nuclei, namely the volume integrals, moments and mean square radii are studied in the framework of the semimicroscopic approach to the interaction of low energy nucleons with nuclei on the base of the exchange nucleon-nucleon correlations and the density dependence of effective forces. The ratio of the normalized multipole moments of potential and matter distributions is investigated. The energy dependence of the integral characteristics is analyzed. 15 refs.; 2 tabs

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

    Science.gov (United States)

    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.

  16. University students' psychopathology: correlates and the examiner's potential bias effect

    Directory of Open Access Journals (Sweden)

    Helena Espirito Santo

    2015-02-01

    Aims: the main objective was to verify if there is a difference on psychopathological symptoms between two groups questioned by two different examiners, controlling for the potential role of social desirability, and other potential covariates. Additionally, we want to assess the level of psychopathology and its socio-demographic correlates.Methods: 185 Coimbra's university students completed the Brief Symptom Inventory/BSI and the Marlowe-Crowne Social Desirability Scale. In one group the examiner was of the same age and academic status as the students, while in the other group the examiner was older and a teacher. We studied the psychopathological correlates with Pearson, point-biserial correlations, and qui-square analyses, and we controlled the potential role of covariates through Quade non-parametric ANCOVAs. Results: The level of distress was lower in comparison with other investigations. Women had higher level of distress and more symptoms of somatization, anxiety, phobic anxiety, obsessive-compulsion, and depression. The students that live a higher distance from home had more anxiety and obsessive-compulsive symptoms. The group assessed by the younger examiner scored higher in distress and in some BSI factors, and had lower levels on social desirability. Conclusions: Sex and distance from home seem important factors for university students' mental health. However, the examiner does have an influence in the evaluation, probably because of social desirability, suggesting that the examiner's characteristics should be given in investigations involving university students.

  17. Correlated fermionic densities for many harmonically trapped particles interacting with repulsive forces

    International Nuclear Information System (INIS)

    Glasser, M.L.; March, N.H.; Nieto, L.M.

    2010-01-01

    This study is motivated by the very recent work on correlation energy as approximated by the Thomas-Fermi (TF) semiclassical limit [B.R. Landry, et al., Phys. Rev. Lett. 103 (2009) 066401]. In contrast, and motivated by the Hohenberg-Kohn theorem, our work is focussed primarily on the correlated TF ground-state density. We invoke directly the Holas et al. result that for two-fermion systems with harmonic trapping, the fermion-fermion interaction u simply adds to the trapping potential. We conclude this report with some results on correlation kinetic energy for two-fermion systems.

  18. Coherent correlated states of interacting particles - the possible key to paradoxes and features of LENR

    International Nuclear Information System (INIS)

    Vysotskii, Vladimir I.; Vysotskyy, Mykhaylo V.

    2015-01-01

    In this article, the universal mechanism of optimization of low energy nuclear reactions (LENR) on the basis of coherent correlated states (CCS) of interacting particles is discussed. Formation of these states is the result of special nonstationary low energy action to parameters of potential well containing interacting particles. It was shown that in real nuclear-physical systems usage of CCS leads to sharp growth (up to 10 30 -10 100 and more) of Coulomb barrier penetrability at very low energy of interacting particles. Several successful LENR experiments based on CCS are discussed. (author)

  19. Non-equilibrium magnetic interactions in strongly correlated systems

    Energy Technology Data Exchange (ETDEWEB)

    Secchi, A., E-mail: a.secchi@science.ru.nl [Institute for Molecules and Materials, Radboud University Nijmegen, 6525 AJ Nijmegen (Netherlands); Brener, S.; Lichtenstein, A.I. [Institut für Theoretische Physik, Universitat Hamburg, Jungiusstraße 9, D-20355 Hamburg (Germany); Katsnelson, M.I. [Institute for Molecules and Materials, Radboud University Nijmegen, 6525 AJ Nijmegen (Netherlands)

    2013-06-15

    We formulate a low-energy theory for the magnetic interactions between electrons in the multi-band Hubbard model under non-equilibrium conditions determined by an external time-dependent electric field which simulates laser-induced spin dynamics. We derive expressions for dynamical exchange parameters in terms of non-equilibrium electronic Green functions and self-energies, which can be computed, e.g., with the methods of time-dependent dynamical mean-field theory. Moreover, we find that a correct description of the system requires, in addition to exchange, a new kind of magnetic interaction, that we name twist exchange, which formally resembles Dzyaloshinskii–Moriya coupling, but is not due to spin–orbit, and is actually due to an effective three-spin interaction. Our theory allows the evaluation of the related time-dependent parameters as well. -- Highlights: •We develop a theory for magnetism of strongly correlated systems out of equilibrium. •Our theory is suitable for laser-induced ultrafast magnetization dynamics. •We write time-dependent exchange parameters in terms of electronic Green functions. •We find a new magnetic interaction, a “twist exchange”. •We give general expressions for magnetic noise in itinerant-electron systems.

  20. Cavity-QED interactions of two correlated atoms

    Science.gov (United States)

    Esfandiarpour, Saeideh; Safari, Hassan; Bennett, Robert; Yoshi Buhmann, Stefan

    2018-05-01

    We consider the resonant van der Waals (vdW) interaction between two correlated identical two-level atoms (at least one of which being excited) within the framework of macroscopic cavity quantum electrodynamics in linear, dispersing and absorbing media. The interaction of both atoms with the body-assisted electromagnetic field of the cavity is assumed to be strong. Our time-independent evaluation is based on an extended Jaynes–Cummings model. For a system prepared in a superposition of its dressed states, we derive the general form of the vdW forces, using a Lorentzian single-mode approximation. We demonstrate the applicability of this approach by considering the case of a planar cavity and showing the position dependence of Rabi oscillations. We also show that in the limiting case of weak coupling, our results reproduce the perturbative ones for the case where the field is initially in vacuum state while the atomic state is in a superposition of two correlated states sharing one excitation.

  1. Directly patching high-level exchange-correlation potential based on fully determined optimized effective potentials

    Science.gov (United States)

    Huang, Chen; Chi, Yu-Chieh

    2017-12-01

    The key element in Kohn-Sham (KS) density functional theory is the exchange-correlation (XC) potential. We recently proposed the exchange-correlation potential patching (XCPP) method with the aim of directly constructing high-level XC potential in a large system by patching the locally computed, high-level XC potentials throughout the system. In this work, we investigate the patching of the exact exchange (EXX) and the random phase approximation (RPA) correlation potentials. A major challenge of XCPP is that a cluster's XC potential, obtained by solving the optimized effective potential equation, is only determined up to an unknown constant. Without fully determining the clusters' XC potentials, the patched system's XC potential is "uneven" in the real space and may cause non-physical results. Here, we developed a simple method to determine this unknown constant. The performance of XCPP-RPA is investigated on three one-dimensional systems: H20, H10Li8, and the stretching of the H19-H bond. We investigated two definitions of EXX: (i) the definition based on the adiabatic connection and fluctuation dissipation theorem (ACFDT) and (ii) the Hartree-Fock (HF) definition. With ACFDT-type EXX, effective error cancellations were observed between the patched EXX and the patched RPA correlation potentials. Such error cancellations were absent for the HF-type EXX, which was attributed to the fact that for systems with fractional occupation numbers, the integral of the HF-type EXX hole is not -1. The KS spectra and band gaps from XCPP agree reasonably well with the benchmarks as we make the clusters large.

  2. Ion mobilities and ion-atom interaction potentials

    International Nuclear Information System (INIS)

    Gatland, I.R.

    1982-01-01

    The techniques for measuring the mobilities of ions in gases, relating interaction potentials to mobilities, and determining potentials from experimental mobilities are reviewed. Applications are presented for positive alkali ions and negative halogen ions in inert gases. (Auth.)

  3. Membrane potential correlates of sensory perception in mouse barrel cortex.

    Science.gov (United States)

    Sachidhanandam, Shankar; Sreenivasan, Varun; Kyriakatos, Alexandros; Kremer, Yves; Petersen, Carl C H

    2013-11-01

    Neocortical activity can evoke sensory percepts, but the cellular mechanisms remain poorly understood. We trained mice to detect single brief whisker stimuli and report perceived stimuli by licking to obtain a reward. Pharmacological inactivation and optogenetic stimulation demonstrated a causal role for the primary somatosensory barrel cortex. Whole-cell recordings from barrel cortex neurons revealed membrane potential correlates of sensory perception. Sensory responses depended strongly on prestimulus cortical state, but both slow-wave and desynchronized cortical states were compatible with task performance. Whisker deflection evoked an early (sensory response that was encoded through cell-specific reversal potentials. A secondary late (50-400 ms) depolarization was enhanced on hit trials compared to misses. Optogenetic inactivation revealed a causal role for late excitation. Our data reveal dynamic processing in the sensory cortex during task performance, with an early sensory response reliably encoding the stimulus and later secondary activity contributing to driving the subjective percept.

  4. A partitioned correlation function interaction approach for describing electron correlation in atoms

    International Nuclear Information System (INIS)

    Verdebout, S; Godefroid, M; Rynkun, P; Jönsson, P; Gaigalas, G; Fischer, C Froese

    2013-01-01

    The traditional multiconfiguration Hartree–Fock (MCHF) and configuration interaction (CI) methods are based on a single orthonormal orbital basis. For atoms with many closed core shells, or complicated shell structures, a large orbital basis is needed to saturate the different electron correlation effects such as valence, core–valence and correlation within the core shells. The large orbital basis leads to massive configuration state function (CSF) expansions that are difficult to handle, even on large computer systems. We show that it is possible to relax the orthonormality restriction on the orbital basis and break down the originally very large calculations into a series of smaller calculations that can be run in parallel. Each calculation determines a partitioned correlation function (PCF) that accounts for a specific correlation effect. The PCFs are built on optimally localized orbital sets and are added to a zero-order multireference (MR) function to form a total wave function. The expansion coefficients of the PCFs are determined from a low dimensional generalized eigenvalue problem. The interaction and overlap matrices are computed using a biorthonormal transformation technique (Verdebout et al 2010 J. Phys. B: At. Mol. Phys. 43 074017). The new method, called partitioned correlation function interaction (PCFI), converges rapidly with respect to the orbital basis and gives total energies that are lower than the ones from ordinary MCHF and CI calculations. The PCFI method is also very flexible when it comes to targeting different electron correlation effects. Focusing our attention on neutral lithium, we show that by dedicating a PCF to the single excitations from the core, spin- and orbital-polarization effects can be captured very efficiently, leading to highly improved convergence patterns for hyperfine parameters compared with MCHF calculations based on a single orthogonal radial orbital basis. By collecting separately optimized PCFs to correct the

  5. A partitioned correlation function interaction approach for describing electron correlation in atoms

    Science.gov (United States)

    Verdebout, S.; Rynkun, P.; Jönsson, P.; Gaigalas, G.; Froese Fischer, C.; Godefroid, M.

    2013-04-01

    The traditional multiconfiguration Hartree-Fock (MCHF) and configuration interaction (CI) methods are based on a single orthonormal orbital basis. For atoms with many closed core shells, or complicated shell structures, a large orbital basis is needed to saturate the different electron correlation effects such as valence, core-valence and correlation within the core shells. The large orbital basis leads to massive configuration state function (CSF) expansions that are difficult to handle, even on large computer systems. We show that it is possible to relax the orthonormality restriction on the orbital basis and break down the originally very large calculations into a series of smaller calculations that can be run in parallel. Each calculation determines a partitioned correlation function (PCF) that accounts for a specific correlation effect. The PCFs are built on optimally localized orbital sets and are added to a zero-order multireference (MR) function to form a total wave function. The expansion coefficients of the PCFs are determined from a low dimensional generalized eigenvalue problem. The interaction and overlap matrices are computed using a biorthonormal transformation technique (Verdebout et al 2010 J. Phys. B: At. Mol. Phys. 43 074017). The new method, called partitioned correlation function interaction (PCFI), converges rapidly with respect to the orbital basis and gives total energies that are lower than the ones from ordinary MCHF and CI calculations. The PCFI method is also very flexible when it comes to targeting different electron correlation effects. Focusing our attention on neutral lithium, we show that by dedicating a PCF to the single excitations from the core, spin- and orbital-polarization effects can be captured very efficiently, leading to highly improved convergence patterns for hyperfine parameters compared with MCHF calculations based on a single orthogonal radial orbital basis. By collecting separately optimized PCFs to correct the MR

  6. Magnetic interactions in strongly correlated systems: Spin and orbital contributions

    Energy Technology Data Exchange (ETDEWEB)

    Secchi, A., E-mail: a.secchi@science.ru.nl [Radboud University, Institute for Molecules and Materials, 6525 AJ Nijmegen (Netherlands); Lichtenstein, A.I. [Universitat Hamburg, Institut für Theoretische Physik, Jungiusstraße 9, D-20355 Hamburg (Germany); Katsnelson, M.I. [Radboud University, Institute for Molecules and Materials, 6525 AJ Nijmegen (Netherlands)

    2015-09-15

    We present a technique to map an electronic model with local interactions (a generalized multi-orbital Hubbard model) onto an effective model of interacting classical spins, by requiring that the thermodynamic potentials associated to spin rotations in the two systems are equivalent up to second order in the rotation angles, when the electronic system is in a symmetry-broken phase. This allows to determine the parameters of relativistic and non-relativistic magnetic interactions in the effective spin model in terms of equilibrium Green’s functions of the electronic model. The Hamiltonian of the electronic system includes, in addition to the non-relativistic part, relativistic single-particle terms such as the Zeeman coupling to an external magnetic field, spin–orbit coupling, and arbitrary magnetic anisotropies; the orbital degrees of freedom of the electrons are explicitly taken into account. We determine the complete relativistic exchange tensors, accounting for anisotropic exchange, Dzyaloshinskii–Moriya interactions, as well as additional non-diagonal symmetric terms (which may include dipole–dipole interaction). The expressions of all these magnetic interactions are determined in a unified framework, including previously disregarded features such as the vertices of two-particle Green’s functions and non-local self-energies. We do not assume any smallness in spin–orbit coupling, so our treatment is in this sense exact. Finally, we show how to distinguish and address separately the spin, orbital and spin–orbital contributions to magnetism, providing expressions that can be computed within a tight-binding Dynamical Mean Field Theory.

  7. Low-energy positron-argon collisions by using parameter-free positron correlation polarization potentials

    International Nuclear Information System (INIS)

    Jain, A.

    1990-01-01

    We report differential, integral, and momentum-transfer cross sections and the scattering length (A 0 ) for positron (e + )-argon scattering at low energies below the positronium formation threshold. An optical-potential approach is employed in which the repulsive Coulombic interaction is calculated exactly at the Hartree-Fock level and the attractive polarization and correlation effects are included approximately via a parameter-free positron correlation polarization (PCP) potential recently proposed by us. The PCP model is based on the correlation energy var-epsilon corr of one positron in a homogeneous electron gas; in the outside region, the var-epsilon corr is joined smoothly with the correct asymptotic form of the polarization interaction (-α 0 /2r 4 , where α 0 is the target polarizability) where they cross each other for the first time. The total optical potential of the e + -argon system is treated exactly in a partial-wave analysis to extract the scattering parameters. It is found that the PCP potential gives much better qualitative results, particularly for the differential cross sections and the scattering length, than the corresponding results obtained from an electron polarization potential used as such for the positron case. We also discuss the ''critical'' points (representing the minima in the differential scattering) in the low-energy e + -Ar scattering. The present results involve no fitting procedure

  8. Risk factors for potential drug interactions in general practice

    DEFF Research Database (Denmark)

    Bjerrum, Lars; Gonzalez Lopez-Valcarcel, Beatriz; Petersen, Gert

    2008-01-01

    interactions during 1 year. Patient factors associated with increased risk of potential drug interactions were high age, a high number of concurrently used drugs, and a high number of prescribers. Practice factors associated with potential drug interactions were a high percentage of elderly patients and a low......Objective: To identify patient- and practice-related factors associated with potential drug interactions. Methods: A register analysis study in general practices in the county of Funen, Denmark. Prescription data were retrieved from a population-based prescription database (Odense University......, depending on the severity of outcome and the quality of documentation. A two-level random coefficient logistic regression model was used to investigate factors related to potential drug interactions. Results: One-third of the population was exposed to polypharmacy, and 6% were exposed to potential drug...

  9. Universal Behavior of Pair Correlations in a Strongly Interacting Fermi Gas

    International Nuclear Information System (INIS)

    Kuhnle, E. D.; Hu, H.; Liu, X.-J.; Dyke, P.; Mark, M.; Drummond, P. D.; Hannaford, P.; Vale, C. J.

    2010-01-01

    We show that short-range pair correlations in a strongly interacting Fermi gas follow a simple universal law described by Tan's relations. This is achieved through measurements of the static structure factor which displays a universal scaling proportional to the ratio of Tan's contact to the momentum C/q. Bragg spectroscopy of ultracold 6 Li atoms from a periodic optical potential is used to measure the structure factor for a wide range of momenta and interaction strengths, providing broad confirmation of this universal law. We calibrate our Bragg spectra using the f-sum rule, which is found to improve the accuracy of the structure factor measurement.

  10. Separable expansions for local potentials with Coulomb interactions

    International Nuclear Information System (INIS)

    Adhikari, S.K.

    1976-01-01

    If two particles are interacting via a short range potential and a repulsive Coulomb potential the t matrix can be written as a sum of the Coulomb and the ''nuclear'' t matrices. In order to solve the three-nucleon problem with Coulomb interactions usually we need a separable representation of this ''nuclear'' t matrix. A recently proposed method for finding a separable expansion for local potentials is here extended to find a rapidly convergent separable expansion, with analytic form factors, for the ''nuclear'' part of the t matrix of a local potential, in the presence of Coulomb interactions. The method is illustrated for a two-term Malfliet-Tjon potential. In each rank the ''nuclear'' phase shift is close to the corresponding phase shift when the Coulomb interaction is switched off

  11. Localization of Bogoliubov quasiparticles in interacting Bose gases with correlated disorder

    International Nuclear Information System (INIS)

    Lugan, P.; Sanchez-Palencia, L.

    2011-01-01

    We study the Anderson localization of Bogoliubov quasiparticles (elementary many-body excitations) in a weakly interacting Bose gas of chemical potential μ subjected to a disordered potential V. We introduce a general mapping (valid for weak inhomogeneous potentials in any dimension) of the Bogoliubov-de Gennes equations onto a single-particle Schroedinger-like equation with an effective potential. For disordered potentials, the Schroedinger-like equation accounts for the scattering and localization properties of the Bogoliubov quasiparticles. We derive analytically the localization lengths for correlated disordered potentials in the one-dimensional geometry. Our approach relies on a perturbative expansion in V/μ, which we develop up to third order, and we discuss the impact of the various perturbation orders. Our predictions are shown to be in very good agreement with direct numerical calculations. We identify different localization regimes: For low energy, the effective disordered potential exhibits a strong screening by the quasicondensate density background, and localization is suppressed. For high-energy excitations, the effective disordered potential reduces to the bare disordered potential, and the localization properties of quasiparticles are the same as for free particles. The maximum of localization is found at intermediate energy when the quasicondensate healing length is of the order of the disorder correlation length. Possible extensions of our work to higher dimensions are also discussed.

  12. Potential drug-drug interactions on in-patient medication ...

    African Journals Online (AJOL)

    Potential drug-drug interactions on in-patient medication prescriptions at Mbarara Regional Referral Hospital (MRRH) in western Uganda: prevalence, clinical importance and associated factors. SJ Lubinga, E Uwiduhaye ...

  13. How decays and final-state interactions affect velocity correlations in heavy-ion collisions

    International Nuclear Information System (INIS)

    Wieand, K.L.; Pratt, S.E.; Balantekin, A.B.

    1992-01-01

    We study rapidity correlations by calculating two-particle correlation functions and fractorial moments for a simple thermal model of ultrarelativistic-heavy-ion collisions. In this model correlations arise from decays of unstable hadrons and the final-state interactions of the measured particles. These correlations are shown to be similar but smaller than correlations due to phase separation. (orig.)

  14. Calculation of coulomb correlation potential in a turbulent non-ideal plasma with reduced degrees of freedom

    International Nuclear Information System (INIS)

    Dwivedi, C.B.; Bhattacharjee, M.

    1998-01-01

    A simple but reasonable physical model has been developed to find out the correlation potential in a turbulent non-ideal plasma. It is assumed that the turbulent plasma state comprises of weakly interacting pseudo particles i.e. nonlinear coherent structures like solitons with random distribution in space and time. The calculation is based on the lowest order binary interacting model of the nonlinear normal modes (pseudo particles) of the weakly correlated plasmas. Its implication in the phase transition of the correlated Coulomb gas is discussed. (author)

  15. Metastable He (n=2) - Ne potential interaction calculation

    International Nuclear Information System (INIS)

    Rahal, H.

    1983-10-01

    Diabatic potential terms corresponding to He (2 1 S)-Ne and He (2 3 S)-Ne interactions are calculated. These potentials reproduce the experimental results thermal metastable atom elastic scattering on Ne target. A model which reduces the interaction to a one-electron problem is proposed: the He excited electron. Its interaction with the He + center is reproduced by a ''l'' dependent potential model with a 1/2 behaviour at short range. The electron interaction facing the Ne is described by a l-dependent pseudopotential reproducing with accuracy the electron elastic scattering on a Ne atom. The importance of the corrective term related to the Ne polarizations by the electron and the He + ion is showed in this work. In the modelling problems, the accuracy cannot be better than 0.1 MeV [fr

  16. Solitary wave exchange potential and nucleon-nucleon interaction

    International Nuclear Information System (INIS)

    Prema, K.; Raghavan, S.S.; Sekhar Raghavan

    1986-11-01

    Nucleon-nucleon interaction is studied using a phenomenological potential model called solitary wave exchange potential model. It is shown that this simple model reproduces the singlet and triplet scattering data and the deuteron parameters reasonably well. (author). 6 refs, 2 figs, 1 tab

  17. Interference Correlations of Hyperons in Neutron-Carbon Interactions

    CERN Document Server

    Aleev, A N; Balandin, V P; Bulekov, O V; Eremin, S V; Geshkov, I M; Goudzovski, E A; Grigalashvili, T S; Guriev D K; Ivanchenko, I M; Ivanchenko, Z M; Kekelidze, V D; Khristov, P Z; Kopadze, M V; Kosarev, I G; Kozhenkova, Z I; Kuzmin, N A; Kvatadze, R A; Ljubimov, A L; Loktionov, A A; Lomidze, N L; Madigozhin, D T; Maznyj, V G; Mitsyn, V V; Molokanova, N A; Morozov, A N; Pismenyj, R E; Polenkevich, I A; Ponosov, A K; Ponta, T; Potrebenikov, Yu K; Sergeev, F M; Slepets, L A; Spaskov, V N; Zinchenko, A I

    2003-01-01

    The interference correlations of \\Lambda-hyperon pairs produced on the carbon target by 20-70 GeV neutrons have been investigated with the EXCHARM spectrometer. Destructive correlations at low relative 4-momenta are observed for \\Lambda\\Lambda-pairs. No correlations of this type are observed for \\Lambda\\bar{\\Lambda}. Comparison with the corresponding data on meson correlations shows a decrease of production area sizes with an increase of particle masses.

  18. Snapping Sharks, Maddening Mindreaders, and Interactive Images: Teaching Correlation.

    Science.gov (United States)

    Mitchell, Mark L.

    Understanding correlation coefficients is difficult for students. A free computer program that helps introductory psychology students distinguish between positive and negative correlation, and which also teaches them to understand the differences between correlation coefficients of different size is described in this paper. The program is…

  19. Approximate self-consistent potentials for density-functional-theory exchange-correlation functionals

    International Nuclear Information System (INIS)

    Cafiero, Mauricio; Gonzalez, Carlos

    2005-01-01

    We show that potentials for exchange-correlation functionals within the Kohn-Sham density-functional-theory framework may be written as potentials for simpler functionals multiplied by a factor close to unity, and in a self-consistent field calculation, these effective potentials find the correct self-consistent solutions. This simple theory is demonstrated with self-consistent exchange-only calculations of the atomization energies of some small molecules using the Perdew-Kurth-Zupan-Blaha (PKZB) meta-generalized-gradient-approximation (meta-GGA) exchange functional. The atomization energies obtained with our method agree with or surpass previous meta-GGA calculations performed in a non-self-consistent manner. The results of this work suggest the utility of this simple theory to approximate exchange-correlation potentials corresponding to energy functionals too complicated to generate closed forms for their potentials. We hope that this method will encourage the development of complex functionals which have correct boundary conditions and are free of self-interaction errors without the worry that the functionals are too complex to differentiate to obtain potentials

  20. Double folded Yukawa interaction potential between two heavy ions

    International Nuclear Information System (INIS)

    Bulgac, A.; Carstoiu, F.; Dumitrescu, O.

    1980-02-01

    A simple semi-analytical formula for the heavy ion interaction potential within the double-folding model approximation is obtained. The folded interaction is assumed to be expressed in Yukawa terms or the derivatives of them. The densities used can be both experimental or theoretical (of simple ''step-wise'', ''Fermi-Saxon-Woods'' or complicated ''shell model'' structure) densities. A way of inserting the exchange terms is discussed. Numerical calculations for some colliding partners are reported. (author)

  1. Interaction effects on dynamic correlations in noncondensed Bose gases

    NARCIS (Netherlands)

    Bezett, A.; Van Driel, H. J.; Mink, M. P.; Stoof, H. T C; Duine, R. A.

    2014-01-01

    We consider dynamic, i.e., frequency-dependent, correlations in noncondensed ultracold atomic Bose gases. In particular, we consider the single-particle correlation function and its power spectrum. We compute this power spectrum for a one-component Bose gas, and we show how it depends on the

  2. Localization of weakly interacting Bose gas in quasiperiodic potential

    International Nuclear Information System (INIS)

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

    2016-01-01

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

  3. Communication: An adaptive configuration interaction approach for strongly correlated electrons with tunable accuracy

    Energy Technology Data Exchange (ETDEWEB)

    Schriber, Jeffrey B.; Evangelista, Francesco A. [Department of Chemistry and Cherry L. Emerson Center for Scientific Computation, Emory University, Atlanta, Georgia 30322 (United States)

    2016-04-28

    We introduce a new procedure for iterative selection of determinant spaces capable of describing highly correlated systems. This adaptive configuration interaction (ACI) determines an optimal basis by an iterative procedure in which the determinant space is expanded and coarse grained until self-consistency. Two importance criteria control the selection process and tune the ACI to a user-defined level of accuracy. The ACI is shown to yield potential energy curves of N{sub 2} with nearly constant errors, and it predicts singlet-triplet splittings of acenes up to decacene that are in good agreement with the density matrix renormalization group.

  4. Potential ligand-binding residues in rat olfactory receptors identified by correlated mutation analysis

    Science.gov (United States)

    Singer, M. S.; Oliveira, L.; Vriend, G.; Shepherd, G. M.

    1995-01-01

    A family of G-protein-coupled receptors is believed to mediate the recognition of odor molecules. In order to identify potential ligand-binding residues, we have applied correlated mutation analysis to receptor sequences from the rat. This method identifies pairs of sequence positions where residues remain conserved or mutate in tandem, thereby suggesting structural or functional importance. The analysis supported molecular modeling studies in suggesting several residues in positions that were consistent with ligand-binding function. Two of these positions, dominated by histidine residues, may play important roles in ligand binding and could confer broad specificity to mammalian odor receptors. The presence of positive (overdominant) selection at some of the identified positions provides additional evidence for roles in ligand binding. Higher-order groups of correlated residues were also observed. Each group may interact with an individual ligand determinant, and combinations of these groups may provide a multi-dimensional mechanism for receptor diversity.

  5. Accurate orbital-dependent correlation and exchange-correlation potentials from non-iterative ab initio dft calculations

    Science.gov (United States)

    Grabowski, Ireneusz; Lotrich, Victor

    2005-08-01

    A new approximate non-iterative procedure to obtain accurate correlation and exchange-correlation potentials of Kohn-Sham (KS) density functional theory (DFT) is presented. By carrying out only one step of the correlated optimized effective potential (OEP) iterations following the standard iterative exchange-only OEP, one can recover accurate correlation potentials corresponding to the orbital-dependent second-order many-body perturbation theory [MBPT(2)] energy functional that are hardly discernible from those obtained by the more expensive, fully iterative procedure. This new 'one-step' OEP-MBPT(2) algorithm reflects the non-iterative, perturbative algorithm of standard, canonical MBPT(2) of ab initio wave function theory, while it allows the correlation potentials to readjust and include the majority of the MBPT(2) correlation effect. It is also flexible in the treatment of exchange and the Hartree-Fock orbitals may be used in lieu of the exchange-only OEP orbitals, when the correlation or exchange-correlation potential is of interest.

  6. Analytical local electron-electron interaction model potentials for atoms

    International Nuclear Information System (INIS)

    Neugebauer, Johannes; Reiher, Markus; Hinze, Juergen

    2002-01-01

    Analytical local potentials for modeling the electron-electron interaction in an atom reduce significantly the computational effort in electronic structure calculations. The development of such potentials has a long history, but some promising ideas have not yet been taken into account for further improvements. We determine a local electron-electron interaction potential akin to those suggested by Green et al. [Phys. Rev. 184, 1 (1969)], which are widely used in atom-ion scattering calculations, electron-capture processes, and electronic structure calculations. Generalized Yukawa-type model potentials are introduced. This leads, however, to shell-dependent local potentials, because the origin behavior of such potentials is different for different shells as has been explicated analytically [J. Neugebauer, M. Reiher, and J. Hinze, Phys. Rev. A 65, 032518 (2002)]. It is found that the parameters that characterize these local potentials can be interpolated and extrapolated reliably for different nuclear charges and different numbers of electrons. The analytical behavior of the corresponding localized Hartree-Fock potentials at the origin and at long distances is utilized in order to reduce the number of fit parameters. It turns out that the shell-dependent form of Green's potential, which we also derive, yields results of comparable accuracy using only one shell-dependent parameter

  7. On the conductivity of a one-dimensional system of interacting fermions in a random potential

    International Nuclear Information System (INIS)

    Apel, W.

    1981-01-01

    A one-dimensional system of interacting fermions in an external potential is studied. The problem was for this purpose transformed to two classical models of statistical mechanics in two dimensions in which occasionally results were found in complementary ranges of the interaction constants of the fermion system. The conductivity appeared as a simple correlation function in both classical models. It was shown that the interaction in a one-dimensional polluted fermion system can cause an isolator-metal transition. (orig./HSI) [de

  8. Diabatic interaction potential for nucleus-nucleus collisions

    International Nuclear Information System (INIS)

    Noerenberg, W.; Lukasiak, A.

    1984-01-01

    Within a refined method for the construction of diabatic states allowing for the treatment of the full spin-orbit coupling, characteristic features of the diabatic potential for nucleus-nucleus collisions are investigated. Approximately 90% of the strong repulsion results from diabatic particle-hole excitations, while only 10% is due to compression. The diabatic interaction potential describes a physical situation intermediate between adiabatic and sudden approximations. (orig.)

  9. Opalescence in monoclonal antibody solutions and its correlation with intermolecular interactions in dilute and concentrated solutions.

    Science.gov (United States)

    Raut, Ashlesha S; Kalonia, Devendra S

    2015-04-01

    Opalescence indicates physical instability of a formulation because of the presence of aggregates or liquid-liquid phase separation in solution and has been reported for monoclonal antibody (mAb) formulations. Increased solution opalescence can be attributed to attractive protein-protein interactions (PPIs). Techniques including light scattering, AUC, or membrane osmometry are routinely employed to measure PPIs in dilute solutions, whereas opalescence is seen at relatively higher concentrations, where both long- and short-range forces contribute to overall PPIs. The mAb molecule studied here shows a unique property of high opalescence because of liquid-liquid phase separation. In this study, opalescence measurements are correlated to PPIs measured in diluted and concentrated solutions using light scattering (kD ) and high-frequency rheology (G'), respectively. Charges on the molecules were calculated using zeta potential measurements. Results indicate that high opalescence and phase separation are a result of the attractive interactions in solution; however, the presence of attractive interactions do not always imply phase separation. Temperature dependence of opalescence suggests that thermodynamic contribution to opalescence is significant and Tcloud can be utilized as a potential tool to assess attractive interactions in solution. © 2014 Wiley Periodicals, Inc. and the American Pharmacists Association.

  10. An Interdisciplinary Meta-Analysis of the Potential Antecedents, Correlates, and Consequences of Protege Perceptions of Mentoring

    Science.gov (United States)

    Eby, Lillian Turner de Tormes; Allen, Tammy D.; Hoffman, Brian J.; Baranik, Lisa E.; Sauer, Julia B.; Baldwin, Sean; Morrison, M. Ashley; Kinkade, Katie M.; Maher, Charleen P.; Curtis, Sara; Evans, Sarah C.

    2013-01-01

    This meta-analysis summarized youth, academic, and workplace research on the potential antecedents (demographics, human capital, and relationship attributes), correlates (interaction frequency, relationship length, performance, motivation, and social capital), and consequences (attitudinal, behavioral, career-related, and health-related outcomes)…

  11. Study of interaction in silica glass via model potential approach

    Science.gov (United States)

    Mann, Sarita; Rani, Pooja

    2016-05-01

    Silica is one of the most commonly encountered substances in daily life and in electronics industry. Crystalline SiO2 (in several forms: quartz, cristobalite, tridymite) is an important constituent of many minerals and gemstones, both in pure form and mixed with related oxides. Cohesive energy of amorphous SiO2 has been investigated via intermolecular potentials i.e weak Van der Waals interaction and Morse type short-range interaction. We suggest a simple atom-atom based Van der Waals as well as Morse potential to find cohesive energy of glass. It has been found that the study of silica structure using two different model potentials is significantly different. Van der Waals potential is too weak (P.E =0.142eV/molecule) to describe the interaction between silica molecules. Morse potential is a strong potential, earlier given for intramolecular bonding, but if applied for intermolecular bonding, it gives a value of P.E (=-21.92eV/molecule) to appropriately describe the structure of silica.

  12. Study of interaction in silica glass via model potential approach

    Energy Technology Data Exchange (ETDEWEB)

    Mann, Sarita, E-mail: saritaiitr2003@gmail.com [Department of Physics, Panjab University, Chandigarh-160014 (India); Rani, Pooja [D.A.V. College, Sec-10, Chandigarh-160010 (India)

    2016-05-06

    Silica is one of the most commonly encountered substances in daily life and in electronics industry. Crystalline SiO{sub 2} (in several forms: quartz, cristobalite, tridymite) is an important constituent of many minerals and gemstones, both in pure form and mixed with related oxides. Cohesive energy of amorphous SiO{sub 2} has been investigated via intermolecular potentials i.e weak Van der Waals interaction and Morse type short-range interaction. We suggest a simple atom-atom based Van der Waals as well as Morse potential to find cohesive energy of glass. It has been found that the study of silica structure using two different model potentials is significantly different. Van der Waals potential is too weak (P.E =0.142eV/molecule) to describe the interaction between silica molecules. Morse potential is a strong potential, earlier given for intramolecular bonding, but if applied for intermolecular bonding, it gives a value of P.E (=−21.92eV/molecule) to appropriately describe the structure of silica.

  13. Potential games and interactive decisions with multiple criteria

    NARCIS (Netherlands)

    Voorneveld, M.

    1999-01-01

    Game theory is a mathematical theory for analyzing strategic interaction between decision makers. This thesis covers two game-theoretic topics. The first part of this thesis deals with potential games: noncooperative games in which the information about the goals of the separate players that is

  14. Comparison of biomolecules on the basis of Molecular Interaction Potentials

    Directory of Open Access Journals (Sweden)

    Rodrigo Jordi

    2002-01-01

    Full Text Available Molecular Interaction Potentials (MIP are frequently used for the comparison of series of compounds displaying related biological behaviors. These potentials are interaction energies between the considered compounds and relevant probes. The interaction energies are computed in the nodes of grids defined around the compounds. There is a need of detailed and objective comparative analyses of MIP distributions in the framework of structure-activity studies. On the other hand, MIP-based studies do not have to be restricted to series of small ligands, since such studies present also interesting possibilities for the analysis and comparison of biological macromolecules. Such analyses can benefit from the application of new methods and computational approaches. The new software MIPSim (Molecular Interaction Potentials Similarity analysis has recently been introduced with the purpose of analyzing and comparing MIP distributions of series of biomolecules. This program is transparently integrated with other programs, like GAMESS or GRID, which can be used for the computation of the potentials to be analyzed or compared. MIPSim incorporates several definitions of similarity coefficients, and is capable of combining several similarity measures into a single one. On the other hand, MIPSim can perform automatic explorations of the maximum similarity alignments between pairs of molecules.

  15. Market potential for interactive audio-visual media

    NARCIS (Netherlands)

    Leurdijk, A.; Limonard, S.

    2005-01-01

    NM2 (New Media for a New Millennium) develops tools for interactive, personalised and non-linear audio-visual content that will be tested in seven pilot productions. This paper looks at the market potential for these productions from a technological, a business and a users' perspective. It shows

  16. Transport-induced correlations in weakly interacting systems

    International Nuclear Information System (INIS)

    Bunin, Guy; Kafri, Yariv; Podolsky, Daniel; Lecomte, Vivien; Polkovnikov, Anatoli

    2013-01-01

    We study spatial correlations in the transport of energy between two baths at different temperatures. To do this, we introduce a minimal model in which energy flows from one bath to another through two subsystems. We show that the transport-induced energy correlations between the two subsystems are of the same order as the energy fluctuations within each subsystem. The correlations can be either positive or negative and we give bounds on their values which are associated with a dynamic energy scale. The different signs originate as a competition between fluctuations generated near the baths and fluctuations of the current between the two subsystems. This interpretation sheds light on known results for spatially-dependent heat and particle conduction models. (paper)

  17. Synaptic input correlations leading to membrane potential decorrelation of spontaneous activity in cortex.

    Science.gov (United States)

    Graupner, Michael; Reyes, Alex D

    2013-09-18

    Correlations in the spiking activity of neurons have been found in many regions of the cortex under multiple experimental conditions and are postulated to have important consequences for neural population coding. While there is a large body of extracellular data reporting correlations of various strengths, the subthreshold events underlying the origin and magnitude of signal-independent correlations (called noise or spike count correlations) are unknown. Here we investigate, using intracellular recordings, how synaptic input correlations from shared presynaptic neurons translate into membrane potential and spike-output correlations. Using a pharmacologically activated thalamocortical slice preparation, we perform simultaneous recordings from pairs of layer IV neurons in the auditory cortex of mice and measure synaptic potentials/currents, membrane potentials, and spiking outputs. We calculate cross-correlations between excitatory and inhibitory inputs to investigate correlations emerging from the network. We furthermore evaluate membrane potential correlations near resting potential to study how excitation and inhibition combine and affect spike-output correlations. We demonstrate directly that excitation is correlated with inhibition thereby partially canceling each other and resulting in weak membrane potential and spiking correlations between neurons. Our data suggest that cortical networks are set up to partially cancel correlations emerging from the connections between neurons. This active decorrelation is achieved because excitation and inhibition closely track each other. Our results suggest that the numerous shared presynaptic inputs do not automatically lead to increased spiking correlations.

  18. Potential disruption of protein-protein interactions by graphene oxide

    Energy Technology Data Exchange (ETDEWEB)

    Feng, Mei [Department of Physics, Institute of Quantitative Biology, Zhejiang University, Hangzhou 310027 (China); Kang, Hongsuk; Luan, Binquan [Computational Biological Center, IBM Thomas J. Watson Research Center, Yorktown Heights, New York 10598 (United States); Yang, Zaixing [Institute of Quantitative Biology and Medicine, SRMP and RAD-X, and Collaborative Innovation Center of Radiation Medicine of Jiangsu Higher Education Institutions, Soochow University, Suzhou 215123 (China); Zhou, Ruhong, E-mail: ruhong@us.ibm.com [Department of Physics, Institute of Quantitative Biology, Zhejiang University, Hangzhou 310027 (China); Computational Biological Center, IBM Thomas J. Watson Research Center, Yorktown Heights, New York 10598 (United States); Department of Chemistry, Columbia University, New York, New York 10027 (United States)

    2016-06-14

    Graphene oxide (GO) is a promising novel nanomaterial with a wide range of potential biomedical applications due to its many intriguing properties. However, very little research has been conducted to study its possible adverse effects on protein-protein interactions (and thus subsequent toxicity to human). Here, the potential cytotoxicity of GO is investigated at molecular level using large-scale, all-atom molecular dynamics simulations to explore the interaction mechanism between a protein dimer and a GO nanosheet oxidized at different levels. Our theoretical results reveal that GO nanosheet could intercalate between the two monomers of HIV-1 integrase dimer, disrupting the protein-protein interactions and eventually lead to dimer disassociation as graphene does [B. Luan et al., ACS Nano 9(1), 663 (2015)], albeit its insertion process is slower when compared with graphene due to the additional steric and attractive interactions. This study helps to better understand the toxicity of GO to cell functions which could shed light on how to improve its biocompatibility and biosafety for its wide potential biomedical applications.

  19. Potential disruption of protein-protein interactions by graphene oxide

    International Nuclear Information System (INIS)

    Feng, Mei; Kang, Hongsuk; Luan, Binquan; Yang, Zaixing; Zhou, Ruhong

    2016-01-01

    Graphene oxide (GO) is a promising novel nanomaterial with a wide range of potential biomedical applications due to its many intriguing properties. However, very little research has been conducted to study its possible adverse effects on protein-protein interactions (and thus subsequent toxicity to human). Here, the potential cytotoxicity of GO is investigated at molecular level using large-scale, all-atom molecular dynamics simulations to explore the interaction mechanism between a protein dimer and a GO nanosheet oxidized at different levels. Our theoretical results reveal that GO nanosheet could intercalate between the two monomers of HIV-1 integrase dimer, disrupting the protein-protein interactions and eventually lead to dimer disassociation as graphene does [B. Luan et al., ACS Nano 9(1), 663 (2015)], albeit its insertion process is slower when compared with graphene due to the additional steric and attractive interactions. This study helps to better understand the toxicity of GO to cell functions which could shed light on how to improve its biocompatibility and biosafety for its wide potential biomedical applications.

  20. Towards a First-Principles Determination of Effective Coulomb Interactions in Correlated Electron Materials: Role of Intershell Interactions.

    Science.gov (United States)

    Seth, Priyanka; Hansmann, Philipp; van Roekeghem, Ambroise; Vaugier, Loig; Biermann, Silke

    2017-08-04

    The determination of the effective Coulomb interactions to be used in low-energy Hamiltonians for materials with strong electronic correlations remains one of the bottlenecks for parameter-free electronic structure calculations. We propose and benchmark a scheme for determining the effective local Coulomb interactions for charge-transfer oxides and related compounds. Intershell interactions between electrons in the correlated shell and ligand orbitals are taken into account in an effective manner, leading to a reduction of the effective local interactions on the correlated shell. Our scheme resolves inconsistencies in the determination of effective interactions as obtained by standard methods for a wide range of materials, and allows for a conceptual understanding of the relation of cluster model and dynamical mean field-based electronic structure calculations.

  1. The Electron-Phonon Interaction in Strongly Correlated Systems

    International Nuclear Information System (INIS)

    Castellani, C.; Grilli, M.

    1995-01-01

    We analyze the effect of strong electron-electron repulsion on the electron-phonon interaction from a Fermi-liquid point of view and show that the electron-electron interaction is responsible for vertex corrections, which generically lead to a strong suppression of the electron-phonon coupling in the v F q/ω >>1 region, while such effect is not present when v F q/ω F is the Fermi velocity and q and ω are the transferred momentum and frequency respectively. In particular the e-ph scattering is suppressed in transport properties which are dominated by low-energy-high-momentum processes. On the other hand, analyzing the stability criterion for the compressibility, which involves the effective interactions in the dynamical limit, we show that a sizable electron-phonon interaction can push the system towards a phase-separation instability. Finally a detailed analysis of these ideas is carried out using a slave-boson approach for the infinite-U three-band Hubbard model in the presence of a coupling between the local hole density and a dispersionless optical phonon. (author)

  2. Improved Interaction Potentials for Charged Residues in Proteins

    DEFF Research Database (Denmark)

    Kepp, Kasper Planeta

    2008-01-01

    Electrostatic interactions dominate the structure and free energy of biomolecules. To obtain accurate free energies involving charged groups from molecular simulations, OPLS-AA parameters have been reoptimized using Monte Carlo free energy perturbation. New parameters fit a self-consistent, exper......Electrostatic interactions dominate the structure and free energy of biomolecules. To obtain accurate free energies involving charged groups from molecular simulations, OPLS-AA parameters have been reoptimized using Monte Carlo free energy perturbation. New parameters fit a self......, TIP4P or TIP3P; i.e., each water model requires specific water-charged molecule interaction potentials. New models (models 1 and 3) are thus described for both water models. Uncertainties in relative free energies of charged residues are ~2 kcal/mol with the new parameters, due to variations in system...

  3. Interaction Potential between Parabolic Rotator and an Outside Particle

    Directory of Open Access Journals (Sweden)

    Dan Wang

    2014-01-01

    Full Text Available At micro/nanoscale, the interaction potential between parabolic rotator and a particle located outside the rotator is studied on the basis of the negative exponential pair potential 1/Rn between particles. Similar to two-dimensional curved surfaces, we confirm that the potential of the three-dimensional parabolic rotator and outside particle can also be expressed as a unified form of curvatures; that is, it can be written as the function of curvatures. Furthermore, we verify that the driving forces acting on the particle may be induced by the highly curved micro/nano-parabolic rotator. Curvatures and the gradient of curvatures are the essential elements forming the driving forces. Through the idealized numerical experiments, the accuracy of the curvature-based potential is preliminarily proved.

  4. Cosmological solutions in string theory with dilaton self interaction potential

    International Nuclear Information System (INIS)

    Mora, C.; Pimentel, L.O.

    2003-01-01

    In this work we present homogeneous and isotropic cosmological solutions for the low energy limit of string theory with a self interacting potential for the scalar field. For a potential that is a linear combination of two exponential, a family of exact solutions are found for the different spatial curvatures. Among this family a non singular accelerating solution for positive curvature is singled out and the violation of the energy conditions for that solution is studied, and also its astrophysical consequences. The string coupling for this solution is finite. (Author)

  5. Multireference configuration interaction calculations of the first six ionization potentials of the uranium atom

    Energy Technology Data Exchange (ETDEWEB)

    Bross, David H.; Parmar, Payal; Peterson, Kirk A., E-mail: kipeters@wsu.edu [Department of Chemistry, Washington State University, Pullman, Washington 99164-4630 (United States)

    2015-11-14

    The first 6 ionization potentials (IPs) of the uranium atom have been calculated using multireference configuration interaction (MRCI+Q) with extrapolations to the complete basis set limit using new all-electron correlation consistent basis sets. The latter was carried out with the third-order Douglas-Kroll-Hess Hamiltonian. Correlation down through the 5s5p5d electrons has been taken into account, as well as contributions to the IPs due to the Lamb shift. Spin-orbit coupling contributions calculated at the 4-component Kramers restricted configuration interaction level, as well as the Gaunt term computed at the Dirac-Hartree-Fock level, were added to the best scalar relativistic results. The final ionization potentials are expected to be accurate to at least 5 kcal/mol (0.2 eV) and thus more reliable than the current experimental values of IP{sub 3} through IP{sub 6}.

  6. Pair correlation function decay in models of simple fluids that contain dispersion interactions.

    Science.gov (United States)

    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

  7. Event-related potential correlates of mindfulness meditation competence.

    Science.gov (United States)

    Atchley, R; Klee, D; Memmott, T; Goodrich, E; Wahbeh, H; Oken, B

    2016-04-21

    This cross-sectional study evaluated event-related potentials (ERPs) across three groups: naïve, novice, and experienced meditators as potential physiological markers of mindfulness meditation competence. Electroencephalographic (EEG) data were collected during a target tone detection task and a Breath Counting task. The Breath Counting task served as the mindfulness meditation condition for the novice and experienced meditator groups. Participants were instructed to respond to target tones with a button press in the first task (Tones), and then ignore the primed tones while Breath Counting. The primary outcomes were ERP responses to target tones, namely the N2 and P3, as markers of stimulus discrimination and attention, respectively. As expected, P3 amplitudes elicited by target tones were attenuated within groups during the Breath Counting task in comparison to the Tones task (pmeditator groups displayed greater change in peak-to-trough P3 amplitudes, with higher amplitudes during the Tones condition and more pronounced reductions in P3 amplitudes during the Breath Counting meditation task in comparison to the naïve group. Meditators had stronger P3 amplitude responses to target tones when instructed to attend to the tones, and a greater attenuation of P3 amplitudes when instructed to ignore the same tones during the Breath Counting task. This study introduces the idea of identifying ERP markers as a means of measuring mindfulness meditation competence, and results suggest this may be a valid approach. This information has the potential to improve mindfulness meditation interventions by allowing objective assessment of mindfulness meditation quality. Published by Elsevier Ltd.

  8. Influence of degree correlations on network structure and stability in protein-protein interaction networks

    Directory of Open Access Journals (Sweden)

    Zimmer Ralf

    2007-08-01

    Full Text Available Abstract Background The existence of negative correlations between degrees of interacting proteins is being discussed since such negative degree correlations were found for the large-scale yeast protein-protein interaction (PPI network of Ito et al. More recent studies observed no such negative correlations for high-confidence interaction sets. In this article, we analyzed a range of experimentally derived interaction networks to understand the role and prevalence of degree correlations in PPI networks. We investigated how degree correlations influence the structure of networks and their tolerance against perturbations such as the targeted deletion of hubs. Results For each PPI network, we simulated uncorrelated, positively and negatively correlated reference networks. Here, a simple model was developed which can create different types of degree correlations in a network without changing the degree distribution. Differences in static properties associated with degree correlations were compared by analyzing the network characteristics of the original PPI and reference networks. Dynamics were compared by simulating the effect of a selective deletion of hubs in all networks. Conclusion Considerable differences between the network types were found for the number of components in the original networks. Negatively correlated networks are fragmented into significantly less components than observed for positively correlated networks. On the other hand, the selective deletion of hubs showed an increased structural tolerance to these deletions for the positively correlated networks. This results in a lower rate of interaction loss in these networks compared to the negatively correlated networks and a decreased disintegration rate. Interestingly, real PPI networks are most similar to the randomly correlated references with respect to all properties analyzed. Thus, although structural properties of networks can be modified considerably by degree

  9. Examining Event-Related Potential (ERP) correlates of decision bias in recognition memory judgments.

    Science.gov (United States)

    Hill, Holger; Windmann, Sabine

    2014-01-01

    Memory judgments can be based on accurate memory information or on decision bias (the tendency to report that an event is part of episodic memory when one is in fact unsure). Event related potentials (ERP) correlates are important research tools for elucidating the dynamics underlying memory judgments but so far have been established only for investigations of accurate old/new discrimination. To identify the ERP correlates of bias, and observe how these interact with ERP correlates of memory, we conducted three experiments that manipulated decision bias within participants via instructions during recognition memory tests while their ERPs were recorded. In Experiment 1, the bias manipulation was performed between blocks of trials (automatized bias) and compared to trial-by-trial shifts of bias in accord with an external cue (flexibly controlled bias). In Experiment 2, the bias manipulation was performed at two different levels of accurate old/new discrimination as the memory strength of old (studied) items was varied. In Experiment 3, the bias manipulation was added to another, bottom-up driven manipulation of bias induced via familiarity. In the first two Experiments, and in the low familiarity condition of Experiment 3, we found evidence of an early frontocentral ERP component at 320 ms poststimulus (the FN320) that was sensitive to the manipulation of bias via instruction, with more negative amplitudes indexing more liberal bias. By contrast, later during the trial (500-700 ms poststimulus), bias effects interacted with old/new effects across all three experiments. Results suggest that the decision criterion is typically activated early during recognition memory trials, and is integrated with retrieved memory signals and task-specific processing demands later during the trial. More generally, the findings demonstrate how ERPs can help to specify the dynamics of recognition memory processes under top-down and bottom-up controlled retrieval conditions.

  10. Examining Event-Related Potential (ERP) Correlates of Decision Bias in Recognition Memory Judgments

    Science.gov (United States)

    Hill, Holger; Windmann, Sabine

    2014-01-01

    Memory judgments can be based on accurate memory information or on decision bias (the tendency to report that an event is part of episodic memory when one is in fact unsure). Event related potentials (ERP) correlates are important research tools for elucidating the dynamics underlying memory judgments but so far have been established only for investigations of accurate old/new discrimination. To identify the ERP correlates of bias, and observe how these interact with ERP correlates of memory, we conducted three experiments that manipulated decision bias within participants via instructions during recognition memory tests while their ERPs were recorded. In Experiment 1, the bias manipulation was performed between blocks of trials (automatized bias) and compared to trial-by-trial shifts of bias in accord with an external cue (flexibly controlled bias). In Experiment 2, the bias manipulation was performed at two different levels of accurate old/new discrimination as the memory strength of old (studied) items was varied. In Experiment 3, the bias manipulation was added to another, bottom-up driven manipulation of bias induced via familiarity. In the first two Experiments, and in the low familiarity condition of Experiment 3, we found evidence of an early frontocentral ERP component at 320 ms poststimulus (the FN320) that was sensitive to the manipulation of bias via instruction, with more negative amplitudes indexing more liberal bias. By contrast, later during the trial (500–700 ms poststimulus), bias effects interacted with old/new effects across all three experiments. Results suggest that the decision criterion is typically activated early during recognition memory trials, and is integrated with retrieved memory signals and task-specific processing demands later during the trial. More generally, the findings demonstrate how ERPs can help to specify the dynamics of recognition memory processes under top-down and bottom-up controlled retrieval conditions. PMID

  11. Examining Event-Related Potential (ERP correlates of decision bias in recognition memory judgments.

    Directory of Open Access Journals (Sweden)

    Holger Hill

    Full Text Available Memory judgments can be based on accurate memory information or on decision bias (the tendency to report that an event is part of episodic memory when one is in fact unsure. Event related potentials (ERP correlates are important research tools for elucidating the dynamics underlying memory judgments but so far have been established only for investigations of accurate old/new discrimination. To identify the ERP correlates of bias, and observe how these interact with ERP correlates of memory, we conducted three experiments that manipulated decision bias within participants via instructions during recognition memory tests while their ERPs were recorded. In Experiment 1, the bias manipulation was performed between blocks of trials (automatized bias and compared to trial-by-trial shifts of bias in accord with an external cue (flexibly controlled bias. In Experiment 2, the bias manipulation was performed at two different levels of accurate old/new discrimination as the memory strength of old (studied items was varied. In Experiment 3, the bias manipulation was added to another, bottom-up driven manipulation of bias induced via familiarity. In the first two Experiments, and in the low familiarity condition of Experiment 3, we found evidence of an early frontocentral ERP component at 320 ms poststimulus (the FN320 that was sensitive to the manipulation of bias via instruction, with more negative amplitudes indexing more liberal bias. By contrast, later during the trial (500-700 ms poststimulus, bias effects interacted with old/new effects across all three experiments. Results suggest that the decision criterion is typically activated early during recognition memory trials, and is integrated with retrieved memory signals and task-specific processing demands later during the trial. More generally, the findings demonstrate how ERPs can help to specify the dynamics of recognition memory processes under top-down and bottom-up controlled retrieval conditions.

  12. Correlations between chromatographic parameters and bioactivity predictors of potential herbicides.

    Science.gov (United States)

    Janicka, Małgorzata

    2014-08-01

    Different liquid chromatography techniques, including reversed-phase liquid chromatography on Purosphere RP-18e, IAM.PC.DD2 and Cosmosil Cholester columns and micellar liqud chromatography with a Purosphere RP-8e column and using buffered sodium dodecyl sulfate-acetonitrile as the mobile phase, were applied to study the lipophilic properties of 15 newly synthesized phenoxyacetic and carbamic acid derivatives, which are potential herbicides. Chromatographic lipophilicity descriptors were used to extrapolate log k parameters (log kw and log km) and log k values. Partitioning lipophilicity descriptors, i.e., log P coefficients in an n-octanol-water system, were computed from the molecular structures of the tested compounds. Bioactivity descriptors, including partition coefficients in a water-plant cuticle system and water-human serum albumin and coefficients for human skin partition and permeation were calculated in silico by ACD/ADME software using the linear solvation energy relationship of Abraham. Principal component analysis was applied to describe similarities between various chromatographic and partitioning lipophilicities. Highly significant, predictive linear relationships were found between chromatographic parameters and bioactivity descriptors. © The Author [2013]. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  13. Interactive Correlation Analysis and Visualization of Climate Data

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Kwan-Liu [Univ. of California, Davis, CA (United States)

    2016-09-21

    The relationship between our ability to analyze and extract insights from visualization of climate model output and the capability of the available resources to make those visualizations has reached a crisis point. The large volume of data currently produced by climate models is overwhelming the current, decades-old visualization workflow. The traditional methods for visualizing climate output also have not kept pace with changes in the types of grids used, the number of variables involved, and the number of different simulations performed with a climate model or the feature-richness of high-resolution simulations. This project has developed new and faster methods for visualization in order to get the most knowledge out of the new generation of high-resolution climate models. While traditional climate images will continue to be useful, there is need for new approaches to visualization and analysis of climate data if we are to gain all the insights available in ultra-large data sets produced by high-resolution model output and ensemble integrations of climate models such as those produced for the Coupled Model Intercomparison Project. Towards that end, we have developed new visualization techniques for performing correlation analysis. We have also introduced highly scalable, parallel rendering methods for visualizing large-scale 3D data. This project was done jointly with climate scientists and visualization researchers at Argonne National Laboratory and NCAR.

  14. Anxiety symptoms and quality of interaction among oncology nurses: a correlational, cross-sectional study.

    Science.gov (United States)

    Karanikola, Maria Nk; Giannakopoulou, Margarita; Kalafati, Maria; Kaite, Charis P; Patiraki, Elisabeth; Mpouzika, Meropi; Papathanassoglou, Elisabeth E D; Middleton, Nicos

    2016-01-01

    To explore the severity of Anxiety Symptoms (AS) among Greek oncology nursing personnel, the degree of satisfaction from professional relationships, and potential association between them. A descriptive cross-sectional correlational study was performed in 2 Greek Oncology Hospitals, in 72 members of nursing personnel. Hamilton Anxiety Scale was used for the assessment of AS severity and the Index of Work Satisfaction subscale "Satisfaction from Interaction" for the degree of satisfaction from professional relationships among nursing personnel (NN) and between nursing personnel and physicians (NP). 11% of the sample reported clinical AS [≥26, scale range (SR): 0-52]. Satisfaction from NN [5.10 (SD: 1.04), SR: 1-7], and NP [4.21 (SD: 0.77), SR: 1-7] professional interaction were both moderate. Statistically significantly associations were observed between clinical AS and satisfaction from NN (p=0.014) and NP (p=0.013) professional interaction. Anxiety reduction interventions and improvement of professional relationships are essentials in order to reduce oncology nurses' psychological distress.

  15. Anxiety symptoms and quality of interaction among oncology nurses: a correlational, cross-sectional study

    Directory of Open Access Journals (Sweden)

    Maria NK. Karanikola

    Full Text Available Abstract OBJECTIVE To explore the severity of Anxiety Symptoms (AS among Greek oncology nursing personnel, the degree of satisfaction from professional relationships, and potential association between them. METHOD A descriptive cross-sectional correlational study was performed in 2 Greek Oncology Hospitals, in 72 members of nursing personnel. Hamilton Anxiety Scale was used for the assessment of AS severity and the Index of Work Satisfaction subscale "Satisfaction from Interaction" for the degree of satisfaction from professional relationships among nursing personnel (NN and between nursing personnel and physicians (NP. RESULTS 11% of the sample reported clinical AS [≥26, scale range (SR: 0-52]. Satisfaction from NN [5.10 (SD: 1.04, SR: 1-7], and NP [4.21 (SD: 0.77, SR: 1-7] professional interaction were both moderate. Statistically significantly associations were observed between clinical AS and satisfaction from NN (p=0.014 and NP (p=0.013 professional interaction. CONCLUSIONS Anxiety reduction interventions and improvement of professional relationships are essentials in order to reduce oncology nurses' psychological distress.

  16. The genetics of music accomplishment: evidence for gene-environment correlation and interaction.

    Science.gov (United States)

    Hambrick, David Z; Tucker-Drob, Elliot M

    2015-02-01

    Theories of skilled performance that emphasize training history, such as K. Anders Ericsson and colleagues' deliberate-practice theory, have received a great deal of recent attention in both the scientific literature and the popular press. Twin studies, however, have demonstrated evidence for moderate-to-strong genetic influences on skilled performance. Focusing on musical accomplishment in a sample of over 800 pairs of twins, we found evidence for gene-environment correlation, in the form of a genetic effect on music practice. However, only about one quarter of the genetic effect on music accomplishment was explained by this genetic effect on music practice, suggesting that genetically influenced factors other than practice contribute to individual differences in music accomplishment. We also found evidence for gene-environment interaction, such that genetic effects on music accomplishment were most pronounced among those engaging in music practice, suggesting that genetic potentials for skilled performance are most fully expressed and fostered by practice.

  17. Collective multipole excitations based on correlated realistic nucleon-nucleon interactions

    International Nuclear Information System (INIS)

    Paar, N.; Papakonstantinou, P.; Hergert, H.; Roth, R.

    2006-01-01

    We investigate collective multipole excitations for closed shell nuclei from 16 O to 208 Pb using correlated realistic nucleon-nucleon interactions in the framework of the random phase approximation (RPA). The dominant short-range central and tensor correlations a re treated explicitly within the Unitary Correlation Operator Method (UCOM), which provides a phase-shift equivalent correlated interaction VUCOM adapted to simple uncorrelated Hilbert spaces. The same unitary transformation that defines the correlated interaction is used to derive correlated transition operators. Using VUCOM we solve the Hartree-Fock problem and employ the single-particle states as starting point for the RPA. By construction, the UCOM-RPA is fully self-consistent, i.e. the same correlated nucleon-nucleon interact ion is used in calculations of the HF ground state and in the residual RPA interaction. Consequently, the spurious state associated with the center-of-mass motion is properly removed and the sum-rules are exhausted within ±3%. The UCOM-RPA scheme results in a collective character of giant monopole, dipole, and quadrupole resonances in closed-shell nuclei across the nuclear chart. For the isoscalar giant monopole resonance, the resonance energies are in agreement with experiment hinting at a reasonable compressibility. However, in the 1 - and 2 + channels the resonance energies are overestimated due to missing long-range correlations and three-body contributions. (orig.)

  18. Implementation of $ab$ $initio$ perturbed angular correlation observables for analysis of fluctuating quadrupole interactions

    CERN Document Server

    Barbosa, Marcelo

    A review about the nuclear properties, namely the nuclear moments (magnetic dipole moment and electric quadrupole moment) and their interaction with electromagnetic fields external to the nucleus (hyperfine interactions), as well as the angular distribution of radiation produced by $\\gamma$-decay, is presented. A detailed description about the theory of Perturbed Angular Correlations was done, including the comparison between $\\gamma-\\gamma$- correlations and $e^{-}- \\gamma$ correlations. For dynamic nuclear interactions, an introduction to the theory of stochastic states in PAC was performed. We focused on ab-initio implementation of observables for analyzing fluctuating quadrupole hyperfine interactions on time dependent perturbed angular correlations experiments. The development of computacional codes solving the full problem, adapted to fit data obtained on single crystals or polycrystals for two-state transient fields with any axial symmetry and orientation was the main purpose of this work. The final pa...

  19. Use of Two-Body Correlated Basis Functions with van der Waals Interaction to Study the Shape-Independent Approximation for a Large Number of Trapped Interacting Bosons

    Science.gov (United States)

    Lekala, M. L.; Chakrabarti, B.; Das, T. K.; Rampho, G. J.; Sofianos, S. A.; Adam, R. M.; Haldar, S. K.

    2017-05-01

    We study the ground-state and the low-lying excitations of a trapped Bose gas in an isotropic harmonic potential for very small (˜ 3) to very large (˜ 10^7) particle numbers. We use the two-body correlated basis functions and the shape-dependent van der Waals interaction in our many-body calculations. We present an exhaustive study of the effect of inter-atomic correlations and the accuracy of the mean-field equations considering a wide range of particle numbers. We calculate the ground-state energy and the one-body density for different values of the van der Waals parameter C6. We compare our results with those of the modified Gross-Pitaevskii results, the correlated Hartree hypernetted-chain equations (which also utilize the two-body correlated basis functions), as well as of the diffusion Monte Carlo for hard sphere interactions. We observe the effect of the attractive tail of the van der Waals potential in the calculations of the one-body density over the truly repulsive zero-range potential as used in the Gross-Pitaevskii equation and discuss the finite-size effects. We also present the low-lying collective excitations which are well described by a hydrodynamic model in the large particle limit.

  20. Residual correlation in two-proton interferometry from Λ-proton strong interactions

    International Nuclear Information System (INIS)

    Wang, Fuqiang

    1999-01-01

    We investigate the residual effect of Λp strong interactions in pp correlations with one proton from Λ decays. It is found that the residual correlation is about 10% of the Λp correlation strength, and has a broad distribution centered around q≅40 MeV/c. The residual correlation cannot explain the observed structure on the tail of the recently measured pp correlation function in central Pb+Pb collisions by NA49 at the Super Proton Synchrotron. (c) 1999 The American Physical Society

  1. Inelastic multiple scattering of interacting bosons in weak random potentials

    International Nuclear Information System (INIS)

    Geiger, Tobias

    2013-01-01

    Within the present thesis we develop a diagrammatic scattering theory for interacting bosons in a three-dimensional, weakly disordered potential. Based on a microscopic N-body scattering theory, we identify the relevant diagrams including elastic and inelastic collision processes that are sufficient to describe quantum transport in the regime of weak disorder. By taking advantage of the statistical properties of the weak disorder potential, we demonstrate how the N-body dynamics can be reduced to a nonlinear integral equation of Boltzmann type for the single-particle diffusive flux. A presently available alternative description - based on the Gross-Pitaevskii equation - only includes elastic collisions. In contrast, we show that far from equilibrium the presence of inelastic collisions - even for weak interaction strength - must be accounted for and can induce the full thermalization of the single-particle current. In addition, we also determine the coherent corrections to the incoherent transport, leading to the effect of coherent backscattering. For the first time, we are able to analyze the influence of inelastic collisions on the coherent backscattering signal, which lead to an enhancement of the backscattered cone in a narrow spectral window, even for increasing non-linearity. With a short recollection of the presently available experimental techniques we furthermore show how an immediate implementation of our suggested setup with confined Bose-Einstein condensates can be accomplished. Thereby, the emergence of collective and/or thermodynamic behavior from fundamental, microscopic constituents can also be assessed experimentally. In a second part of this thesis, we present first results for light scattering off strongly interacting Rydberg atoms trapped in a one-dimensional, chain-like configuration. In order to monitor the time-dependence of this interacting many-body system, we devise a weak measurement scenario for which we derive a master equation for the

  2. New correlation potential for the local-spin-density functional formalism. II

    International Nuclear Information System (INIS)

    Kolar, M.; Farkas, L.

    1982-01-01

    Using the new parameterization for the correlation potential which seems to be the best that is at present available within the local-spin-density (LSD) functional formalism, the Fermi contact term in light atoms (up to Ni) is calculated. Although the overall improvement of the previous LSD results is obtained, discrepancy between theory and experiment remains rather large. It seems that the local approximation for exchange and correlation fails to predict such quantities as magnetic-moment density near the nucleus. It is also shown that the self-interaction correction does not remedy this failure. Further, the effect of the nonzero nuclear radius is investigated and found to be most important in the lightest atoms (e.g. a factor of 0.664 appears in the case of Li). This fact was omitted in all previous calculations and throws doubt on the reported excellent agreement of the results of many-body perturbation theory with experiment. It was also verified that the contact approximation of the Fermi contact term is really good enough. (author)

  3. Azimuthal correlations in anti pp interactions at 22.4 GeV/c

    International Nuclear Information System (INIS)

    Reimer, P.

    Data are presented on azimuthal two particle correlations and the effect is estimated of resonance production on these correlations in anti pp interactions at 22.4 GeV/c. Attention is paid to correlations between two charged pions produced in the process anti p+p→ two charged pions + anything. The dependence is described of the azimuthal asymmetry parameter on rapidity difference. (Z.J.)

  4. Current correlations for the transport of interacting electrons through parallel quantum dots in a photon cavity

    Science.gov (United States)

    Gudmundsson, Vidar; Abdullah, Nzar Rauf; Sitek, Anna; Goan, Hsi-Sheng; Tang, Chi-Shung; Manolescu, Andrei

    2018-06-01

    We calculate the current correlations for the steady-state electron transport through multi-level parallel quantum dots embedded in a short quantum wire, that is placed in a non-perfect photon cavity. We account for the electron-electron Coulomb interaction, and the para- and diamagnetic electron-photon interactions with a stepwise scheme of configuration interactions and truncation of the many-body Fock spaces. In the spectral density of the temporal current-current correlations we identify all the transitions, radiative and non-radiative, active in the system in order to maintain the steady state. We observe strong signs of two types of Rabi oscillations.

  5. Correlation of the Dzyaloshinskii–Moriya interaction with Heisenberg exchange and orbital asphericity

    KAUST Repository

    Kim, Sanghoon

    2018-04-19

    Chiral spin textures of a ferromagnetic layer in contact to a heavy non-magnetic metal, such as Néel-type domain walls and skyrmions, have been studied intensively because of their potential for future nanomagnetic devices. The Dyzaloshinskii–Moriya interaction (DMI) is an essential phenomenon for the formation of such chiral spin textures. In spite of recent theoretical progress aiming at understanding the microscopic origin of the DMI, an experimental investigation unravelling the physics at stake is still required. Here we experimentally demonstrate the close correlation of the DMI with the anisotropy of the orbital magnetic moment and with the magnetic dipole moment of the ferromagnetic metal in addition to Heisenberg exchange. The density functional theory and the tight-binding model calculations reveal that inversion symmetry breaking with spin–orbit coupling gives rise to the orbital-related correlation. Our study provides the experimental connection between the orbital physics and the spin–orbit-related phenomena, such as DMI.

  6. Coupled dynamics of interacting spin-1 bosons in a double-well potential

    Science.gov (United States)

    Carvalho, D. W. S.; Foerster, A.; Gusmão, M. A.

    2018-03-01

    We present a detailed analysis of dynamical processes involving two or three particles in a double-well potential. Motivated by experimental realizations of such a system with optically trapped cold atoms, we focus on spin-1 bosons with special attention on the effects of a spin-dependent interaction in addition to the usual Hubbard-like repulsive one. For a sufficiently weak tunneling amplitude in comparison to the dominant Hubbard coupling, particle motion is strongly correlated, occurring only under fine-tuned relationships between well-depth asymmetry and interactions. We highlight processes involving tunneling of coupled particle pairs and triads, emphasizing the role of the spin-dependent interaction in resonance conditions.

  7. Interactions of C+(2PJ) with rare gas atoms: incipient chemical interactions, potentials and transport coefficients

    Science.gov (United States)

    Tuttle, William D.; Thorington, Rebecca L.; Viehland, Larry A.; Breckenridge, W. H.; Wright, Timothy G.

    2018-03-01

    Accurate interatomic potentials were calculated for the interaction of a singly charged carbon cation, C+, with a single rare gas atom, RG (RG = Ne-Xe). The RCCSD(T) method and basis sets of quadruple-ζ and quintuple-ζ quality were employed; each interaction energy was counterpoise corrected and extrapolated to the basis set limit. The lowest C+(2P) electronic term of the carbon cation was considered, and the interatomic potentials calculated for the diatomic terms that arise from these: 2Π and 2Σ+. Additionally, the interatomic potentials for the respective spin-orbit levels were calculated, and the effect on the spectroscopic parameters was examined. In doing this, anomalously large spin-orbit splittings for RG = Ar-Xe were found, and this was investigated using multi-reference configuration interaction calculations. The latter indicated a small amount of RG → C+ electron transfer and this was used to rationalize the observations. This is taken as evidence of an incipient chemical interaction, which was also examined via contour plots, Birge-Sponer plots and various population analyses across the C+-RG series (RG = He-Xe), with the latter showing unexpected results. Trends in several spectroscopic parameters were examined as a function of the increasing atomic number of the RG atom. Finally, each set of RCCSD(T) potentials was employed, including spin-orbit coupling to calculate the transport coefficients for C+ in RG, and the results were compared with the limited available data. This article is part of the theme issue `Modern theoretical chemistry'.

  8. Highly functionalized piperidines: Free radical scavenging, anticancer activity, DNA interaction and correlation with biological activity

    Directory of Open Access Journals (Sweden)

    Suvankar Das

    2018-01-01

    Full Text Available Twenty-five piperidines were studied as potential radical scavengers and antitumor agents. Quantitative interaction of compounds with ctDNA using spectroscopic techniques was also evaluated. Our results demonstrate that the evaluated piperidines possesses different abilities to scavenge the radical 2,2-diphenyl-1-picrylhydrazyl (DPPH and the anion radical superoxide (·O2−. The piperidine 19 was the most potent radical DPPH scavenger, while the most effective to ·O2− scavenger was piperidine 10. In general, U251, MCF7, NCI/ADR-RES, NCI-H460 and HT29 cells were least sensitive to the tested compounds and all compounds were considerably more toxic to the studied cancer cell lines than to the normal cell line HaCaT. The binding mode of the compounds and ctDNA was preferably via intercalation. In addition, these results were confirmed based on theoretical studies. Finally, a linear and exponential correlation between interaction constant (Kb and GI50 for several human cancer cell was observed.

  9. Ciprofloxacin and Clozapine: A Potentially Fatal but Underappreciated Interaction

    Directory of Open Access Journals (Sweden)

    Jonathan M. Meyer

    2016-01-01

    Full Text Available Objective. Clozapine provides a 50%–60% response rate in refractory schizophrenia but has a narrow therapeutic index and is susceptible to pharmacokinetic interactions, particularly with strong inhibitors or inducers of cytochrome P450 (CYP 1A2. Case Report. We report the case of a 28-year-old nonsmoking female with intellectual disability who was maintained for 3 years on clozapine 100 mg orally twice daily. The patient was treated for presumptive urinary tract infection with ciprofloxacin 500 mg orally twice daily and two days later collapsed and died despite resuscitation efforts. The postmortem femoral clozapine plasma level was dramatically elevated at 2900 ng/mL, and the cause of death was listed as acute clozapine toxicity. Conclusion. Given the potentially fatal pharmacokinetic interaction between clozapine and ciprofloxacin, clinicians are advised to monitor baseline clozapine levels prior to adding strong CYP450 1A2 inhibitors, reduce the clozapine dose by at least two-thirds if adding a 1A2 inhibitor such as ciprofloxacin, check subsequent steady state clozapine levels, and adjust the clozapine dose to maintain levels close to those obtained at baseline.

  10. The Prevalence of Potential Drug Interactions Among Critically Ill Elderly Patients in the Intensive Care Unit (ICU

    Directory of Open Access Journals (Sweden)

    Hossein Rafiei

    2012-01-01

    Full Text Available Objectives: The aim of the research was to determine prevalence of potential drug interactions among elderly patients in the Shahid Bahonar ICU in Kerman. Methods & Materials: In this cross sectional study, data about all elderly patients who were admitted in the intensive care unit from 1/4/2009 to 1/4/2010 were retrieved from medical records and evaluated with regard to the number and type of drug interactions, the number of drugs administered, age, sex, length of stay in the ICU, and the number of doctors prescribing medications of medications administered. The extent and number of drug interactions were investigated based on the reference textbook Drug Interaction Facts and in order to analyze the data collected, using SPSS 18 and according to study goals, a descriptive test, Pierson's correlation test, an independent T-test and a one-way ANOVA were used. Results: In total, 77 types of drugs and 394 drugs were prescribed with a mean of 5.6(SD=1.5 drugs per patient. A total of 108 potential drug interactions were found related to drugs prescribed during the first twenty-four hours. In terms of the type of drug interactions, delayed, moderate and possible types comprised the highest proportion of drug interactions. The four major interactions were between cimetidine and methadone, furosemide and amikacine, phenytoin and dopamine, and heparin and aspirin. The results of Pierson's correlation test were inicative of a positive correlation between the number of potential drug interactions and that of the drugs prescribed (r=0.563, P<0.05. Results of a one-way ANOVA showed that the mean number of potential drug interaction were significantly higher in those who died than in other patients (P<0.05. Conclusion: Elderly patients who are admitted to the intensive care unit are at a high risk of developing drug interactions and better care must be taken by medical team members.

  11. Potential drug interactions in patients given antiretroviral therapy.

    Science.gov (United States)

    Santos, Wendel Mombaque Dos; Secoli, Silvia Regina; Padoin, Stela Maris de Mello

    2016-11-21

    to investigate potential drug-drug interactions (PDDI) in patients with HIV infection on antiretroviral therapy. a cross-sectional study was conducted on 161 adults with HIV infection. Clinical, socio demographic, and antiretroviral treatment data were collected. To analyze the potential drug interactions, we used the software Micromedex(r). Statistical analysis was performed by binary logistic regression, with a p-value of ≤0.05 considered statistically significant. of the participants, 52.2% were exposed to potential drug-drug interactions. In total, there were 218 potential drug-drug interactions, of which 79.8% occurred between drugs used for antiretroviral therapy. There was an association between the use of five or more medications and potential drug-drug interactions (p = 0.000) and between the time period of antiretroviral therapy being over six years and potential drug-drug interactions (p central nervous and cardiovascular systems, but also can interfere in tests used for detection of HIV resistance to antiretroviral drugs. investigar potenciais interações droga-droga (PDDI) em pacientes infectados com HIV em terapia de antirretroviral. um estudo de corte transversal foi conduzido em 161 pessoas infectadas com o HIV. Dados de tratamentos clínicos, sociodemográficos e antirretrovirais foram coletados. Para analisar a possível interação medicamentosa, nós usamos o software Micromedex(r). A análise estatística foi feita por regressão logística binária, com um valor P de ≤0.05, considerado estatisticamente significativo. dos participantes, 52.2% foram expostos a potenciais interações droga-droga. No total, houve 218 interações droga-droga, das quais 79.8% ocorreram entre drogas usadas para a terapia antirretroviral. Houve uma associação entre o uso de cinco ou mais medicamentos e possíveis interações droga-droga (p = 0.000), e entre o período de tempo de terapia antirretroviral acima de seis anos e possíveis interações droga

  12. CROSS-CORRELATION MODELLING OF SURFACE WATER – GROUNDWATER INTERACTION USING THE EXCEL SPREADSHEET APPLICATION

    Directory of Open Access Journals (Sweden)

    Kristijan Posavec

    2017-01-01

    Full Text Available Modelling responses of groundwater levels in aquifer systems, which occur as a reaction to changes in aquifer system boundary conditions such as river or stream stages, is commonly being studied using statistical methods, namely correlation, cross-correlation and regression methods. Although correlation and regression analysis tools are readily available in Microsoft Excel, a widely applied spreadsheet industry standard, the cross-correlation analysis tool is missing. As a part of research of groundwater pressure propagation into alluvial aquifer systems of the Sava and Drava/Danube River catchments following river stages rise, focused on estimating groundwater pressure travel times in aquifers, an Excel spreadsheet data analysis application for cross-correlation modelling has been designed and used in modelling surface water – groundwater interaction. Examples of fi eld data from the Zagreb aquifer system and the Kopački rit Nature Park aquifer system are used to illustrate the usefulness of the cross-correlation application.

  13. Correlations and symmetry of interactions influence collective dynamics of molecular motors

    International Nuclear Information System (INIS)

    Celis-Garza, Daniel; Teimouri, Hamid; Kolomeisky, Anatoly B

    2015-01-01

    Enzymatic molecules that actively support many cellular processes, including transport, cell division and cell motility, are known as motor proteins or molecular motors. Experimental studies indicate that they interact with each other and they frequently work together in large groups. To understand the mechanisms of collective behavior of motor proteins we study the effect of interactions in the transport of molecular motors along linear filaments. It is done by analyzing a recently introduced class of totally asymmetric exclusion processes that takes into account the intermolecular interactions via thermodynamically consistent approach. We develop a new theoretical method that allows us to compute analytically all dynamic properties of the system. Our analysis shows that correlations play important role in dynamics of interacting molecular motors. Surprisingly, we find that the correlations for repulsive interactions are weaker and more short-range than the correlations for the attractive interactions. In addition, it is shown that symmetry of interactions affect dynamic properties of molecular motors. The implications of these findings for motor proteins transport are discussed. Our theoretical predictions are tested by extensive Monte Carlo computer simulations. (paper)

  14. Exact time-dependent exchange-correlation potentials for strong-field electron dynamics

    International Nuclear Information System (INIS)

    Lein, Manfred; Kuemmel, Stephan

    2005-01-01

    By solving the time-dependent Schroedinger equation and inverting the time-dependent Kohn-Sham scheme we obtain the exact time-dependent exchange-correlation potential of density-functional theory for the strong-field dynamics of a correlated system. We demonstrate that essential features of the exact exchange-correlation potential can be related to derivative discontinuities in stationary density-functional theory. Incorporating the discontinuity in a time-dependent density-functional calculation greatly improves the description of the ionization process

  15. Correlation Decay in Fermionic Lattice Systems with Power-Law Interactions at Nonzero Temperature

    Science.gov (United States)

    Hernández-Santana, Senaida; Gogolin, Christian; Cirac, J. Ignacio; Acín, Antonio

    2017-09-01

    We study correlations in fermionic lattice systems with long-range interactions in thermal equilibrium. We prove a bound on the correlation decay between anticommuting operators and generalize a long-range Lieb-Robinson-type bound. Our results show that in these systems of spatial dimension D with, not necessarily translation invariant, two-site interactions decaying algebraically with the distance with an exponent α ≥2 D , correlations between such operators decay at least algebraically to 0 with an exponent arbitrarily close to α at any nonzero temperature. Our bound is asymptotically tight, which we demonstrate by a high temperature expansion and by numerically analyzing density-density correlations in the one-dimensional quadratic (free, exactly solvable) Kitaev chain with long-range pairing.

  16. Study of impurity-defect interaction by perturbed angular correlations: 111Cd in silver

    International Nuclear Information System (INIS)

    Sage, Francoise.

    1975-01-01

    The quadrupole interaction of 111 Cd nuclei following the decay of 111 In implanted by the 109 Ag(α,2n) 111 In reaction into a cubic Ag lattice was measured using the time-differential perturbed-angular correlation technique. A non vanishing quadrupole interaction corresponding to a distribution of electric field gradients was observed, due to the interaction between the 111 Cd impurity and the defects created during the recoil of 111 In nuclei. For low temperature (77 K) irradiations, it has been shown that i) the angular correlation pattern depends on the intensity of α beam current, due to the interaction between defect cascades at high α beam intensity; and ii) it also depends on the annealing of the irradiated sample at different temperatures; the change in the defect configuration around the impurities is then due to the mobility of the various defects [fr

  17. Long-range rapidity correlations in soft interactions at high energies

    International Nuclear Information System (INIS)

    Gotsman, E.; Maor, U.; Levin, E.

    2013-01-01

    In this paper we take the next step (following the successful description of inclusive hadron production) in describing the structure of the bias events without the aid of Monte Carlo codes. Two new results are presented: (i) a method for calculating the two particle correlation functions in the BFKL pomeron calculus in zero transverse dimension; and (ii) an estimation of the values of these correlations in a model of soft interactions. Comparison with the multiplicity data at the LHC is given. (orig.)

  18. Fuel-cladding chemical interaction correlation for mixed-oxide fuel pins

    International Nuclear Information System (INIS)

    Lawrence, L.A.

    1986-10-01

    A revised wastage correlation was developed for FCCI with fabrication and operating parameters. The expansion of the data base to 305 data sets provided sufficient data to employ normal statistical techniques for calculation of confidence levels without unduly penalizing predictions. The correlation based on 316 SS cladding also adequately accounts for limited measured depths of interaction for fuel pins with D9 and HTq cladding

  19. Effects of strong and electromagnetic correlations on neutrino interactions in dense matter

    International Nuclear Information System (INIS)

    Reddy, S.; Prakash, M.; Lattimer, J.M.; Reddy, S.; Pons, J.A.

    1999-01-01

    An extensive study of the effects of correlations on both charged and neutral current weak interaction rates in dense matter is performed. Both strong and electromagnetic correlations are considered. The propagation of particle-hole interactions in the medium plays an important role in determining the neutrino mean free paths. The effects due to Pauli blocking and density, spin, and isospin correlations in the medium significantly reduce the neutrino cross sections. As a result of the lack of experimental information at high density, these correlations are necessarily model dependent. For example, spin correlations in nonrelativistic models are found to lead to larger suppressions of neutrino cross sections compared to those of relativistic models. This is due to the tendency of the nonrelativistic models to develop spin instabilities. Notwithstanding the above caveats, and the differences between nonrelativistic and relativistic approaches such as the spin- and isospin-dependent interactions and the nucleon effective masses, suppressions of order 2 - 3, relative to the case in which correlations are ignored, are obtained. Neutrino interactions in dense matter are especially important for supernova and early neutron star evolution calculations. The effects of correlations for protoneutron star evolution are calculated. Large effects on the internal thermodynamic properties of protoneutron stars, such as the temperature, are found. These translate into significant early enhancements in the emitted neutrino energies and fluxes, especially after a few seconds. At late times, beyond about 10 s, the emitted neutrino fluxes decrease more rapidly compared to simulations without the effects of correlations, due to the more rapid onset of neutrino transparency in the protoneutron star. copyright 1999 The American Physical Society

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

    Science.gov (United States)

    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. Attractive electron correlation in wide band gap semiconductors by electron-photon interaction

    International Nuclear Information System (INIS)

    Takeda, Hiroyuki; Yoshino, Katsumi

    2004-01-01

    We theoretically demonstrate attractive electron correlation in wide band gap semiconductors by electron-photon interaction. At low temperature, wavevectors of electromagnetic waves absorbed in wide band gap semiconductors cannot be neglected for wavevectors of electron waves; that is, electromagnetic waves affect the movements of electrons. In particular, attractive interaction occurs between two electrons when one electron changes from a valence band to a conduction band and the other electron changes from a conduction band to a valence band

  2. Effect of exchange correlation potential on dispersion properties of lower hybrid wave in degenerate plasma

    Science.gov (United States)

    Rimza, Tripti; Sharma, Prerana

    2017-05-01

    The dispersion properties of lower hybrid wave are studied in electron-iondegenerate plasma with exchange effect in non-relativistic regime. It is found that the combined effect of Bohm potential and exchange correlation potential significantly modifies the dispersion properties of lower hybrid wave. The graphical results explicitly show the influence of degeneracy pressure, Bohm force and exchange correlation potential on the frequency of the lower hybrid mode. Present work should be of relevance for the dense astrophysical environments like white dwarfs and for laboratory experiments.

  3. Anticoagulant Medicine: Potential for Drug-Food Interactions

    Science.gov (United States)

    ... Medications Anticoagulants and Drug-Food Interactions Anticoagulants and Drug-Food Interactions Make an Appointment Ask a Question Refer Patient ... Jewish Health wants you to be aware these drug-food interactions when taking anticoagulant medicine. Ask your health care ...

  4. Commercially available interactive video games in burn rehabilitation: therapeutic potential.

    Science.gov (United States)

    Parry, Ingrid S; Bagley, Anita; Kawada, Jason; Sen, Soman; Greenhalgh, David G; Palmieri, Tina L

    2012-06-01

    Commercially available interactive video games (IVG) like the Nintendo Wii™ (NW) and PlayStation™II Eye Toy (PE) are increasingly used in the rehabilitation of patients with burn. Such games have gained popularity in burn rehabilitation because they encourage range of motion (ROM) while distracting from pain. However, IVGs were not originally designed for rehabilitation purposes but rather for entertainment and may lack specificity for achieving rehabilitative goals. Objectively evaluating the specific demands of IVGs in relation to common burn therapy goals will determine their true therapeutic benefit and guide their use in burn rehabilitation. Upper extremity (UE) motion of 24 normal children was measured using 3D motion analysis during play with the two types of IVGs most commonly described for use after burn: NW and PE. Data was analyzed using t-tests and One-way Analysis of Variance. Active range of motion for shoulder flexion and abduction during play with both PE and NW was within functional range, thus supporting the idea that IVGs offer activities with therapeutic potential to improve ROM. PE resulted in higher demands and longer duration of UE motion than NW, and therefore may be the preferred tool when UE ROM or muscular endurance are the goals of rehabilitation. When choosing a suitable IVG for application in rehabilitation, the user's impairment together with the therapeutic attributes of the IVG should be considered to optimize outcome. Copyright © 2012 Elsevier Ltd and ISBI. All rights reserved.

  5. Noncanonical quantization of two particles interacting via a harmonic potential

    International Nuclear Information System (INIS)

    Palev, T.D.

    1981-01-01

    Following the ideas of Wigner a non-canonical quantization of a system of two non-relativistic point particles, interacting via a harmonic potential is studied. The center-of-mass phase-space variables are quantized in a canonical way, whereas the internal momentum and the coordinates are assumed to be operators, generating finite-dimensional representations of the Lie superalgebra A(0, 2). It turns out that the operators of the internal Hamiltonian, the relative distance, the internal momentum and the orbital momentum commute with each other. The spectrum of these operators is finite. In particular the distance between the particles is preserved in time and can have four different values so that the particles are confined. Every coordinate operator can be diagonalized, however, the position of the particles cannot be localized, since the operators of the Cartesian cooordinates do not commute. The angular momentum of the system can be either zero or one (in units h/2π/2) [ru

  6. Indolealkylamines: biotransformations and potential drug-drug interactions.

    Science.gov (United States)

    Yu, Ai-Ming

    2008-06-01

    Indolealkylamine (IAA) drugs are 5-hydroxytryptamine (5-HT or serotonin) analogs that mainly act on the serotonin system. Some IAAs are clinically utilized for antimigraine therapy, whereas other substances are notable as drugs of abuse. In the clinical evaluation of antimigraine triptan drugs, studies on their biotransformations and pharmacokinetics would facilitate the understanding and prevention of unwanted drug-drug interactions (DDIs). A stable, principal metabolite of an IAA drug of abuse could serve as a useful biomarker in assessing intoxication of the IAA substance. Studies on the metabolism of IAA drugs of abuse including lysergic acid amides, tryptamine derivatives and beta-carbolines are therefore emerging. An important role for polymorphic cytochrome P450 2D6 (CYP2D6) in the metabolism of IAA drugs of abuse has been revealed by recent studies, suggesting that variations in IAA metabolism, pharmaco- or toxicokinetics and dynamics can arise from distinct CYP2D6 status, and CYP2D6 polymorphism may represent an additional risk factor in the use of these IAA drugs. Furthermore, DDIs with IAA agents could occur additively at the pharmaco/toxicokinetic and dynamic levels, leading to severe or even fatal serotonin toxicity. In this review, the metabolism and potential DDIs of these therapeutic and abused IAA drugs are described.

  7. Induced gravity with Higgs potential. Elementary interactions and quantum processes

    Energy Technology Data Exchange (ETDEWEB)

    Bezares Roder, Nils Manuel

    2010-07-01

    This work is intended to first serve as introduction in fundamental subjects of physics in order to be then able to review the mechanism of symmetry breakdown and its essential character in physics. It introduces the concept of scalar-tensor theories of gravity based on Bergmann-Wagoner models with a Higgs potential. The main physical context aimed is the problem of Dark Matter and Dark Energy. On the one hand, there is gravitation. Within this context, we have Dark Matter as an especially relevant concept. This work entails the following main contributions: - General features of Einstein's theory are introduced together with generalities of the different elementary interactions of physics from which the concepts of dark sectors and Higgs Mechanism are derived. - The concept of symmetry breaking and especially the Higgs Mechanism of mass generation are discussed in their relevance for the most different subjects of physics, especially in relation to the Standard Model of elementary particle physics with elementary Higgs fields. - Scalar-Tensor Theories are introduced in order to build in them the process of Higgs Mechanism. This is then fulfilled with a theory of induced gravity with a Higgs potential which seems renormalizable according to deWitt's power counting criterion, and with mass-generating Higgs fields which only couple gravitationally as well as with Higgs fields which act analogously to cosmon fields. - Further, the energy density of the gravitational field is derived for the specific model of induced gravity from an analogy to electrodynamics. It is shown that a nonvanishing value of pressure related to the scalar field is necessary in order to reproduce standard linear solar-relativistic dynamics. Within astrophysical considerations for flat rotation curves of galaxies, a possible dark-matter behavior is concluded within spherical symmetry. The scalar field and the dark-matter profile of total energy density are derived. An analogous

  8. Induced gravity with Higgs potential. Elementary interactions and quantum processes

    International Nuclear Information System (INIS)

    Bezares Roder, Nils Manuel

    2010-01-01

    This work is intended to first serve as introduction in fundamental subjects of physics in order to be then able to review the mechanism of symmetry breakdown and its essential character in physics. It introduces the concept of scalar-tensor theories of gravity based on Bergmann-Wagoner models with a Higgs potential. The main physical context aimed is the problem of Dark Matter and Dark Energy. On the one hand, there is gravitation. Within this context, we have Dark Matter as an especially relevant concept. This work entails the following main contributions: - General features of Einstein's theory are introduced together with generalities of the different elementary interactions of physics from which the concepts of dark sectors and Higgs Mechanism are derived. - The concept of symmetry breaking and especially the Higgs Mechanism of mass generation are discussed in their relevance for the most different subjects of physics, especially in relation to the Standard Model of elementary particle physics with elementary Higgs fields. - Scalar-Tensor Theories are introduced in order to build in them the process of Higgs Mechanism. This is then fulfilled with a theory of induced gravity with a Higgs potential which seems renormalizable according to deWitt's power counting criterion, and with mass-generating Higgs fields which only couple gravitationally as well as with Higgs fields which act analogously to cosmon fields. - Further, the energy density of the gravitational field is derived for the specific model of induced gravity from an analogy to electrodynamics. It is shown that a nonvanishing value of pressure related to the scalar field is necessary in order to reproduce standard linear solar-relativistic dynamics. Within astrophysical considerations for flat rotation curves of galaxies, a possible dark-matter behavior is concluded within spherical symmetry. The scalar field and the dark-matter profile of total energy density are derived. An analogous relation between

  9. Spin-orbit interaction in quantum dots and quantum wires of correlated electrons - a way to spintronics?

    International Nuclear Information System (INIS)

    Birkholz, Jens Eiko

    2008-01-01

    We study the influence of the spin-orbit interaction on the electronic transport through quantum dots and quantum wires of correlated electrons. Starting with a one-dimensional infinite continuum model without Coulomb interaction, we analyze the interplay of the spin-orbit interaction, an external magnetic field, and an external potential leading to currents with significant spin-polarization in appropriate parameter regimes. Since lattice models are known to often be superior to continuum models in describing the experimental situation of low-dimensional mesoscopic systems, we construct a lattice model which exhibits the same low-energy physics in terms of energy dispersion and spin expectation values. Confining the lattice to finite length and connecting it to two semi-infinite noninteracting Fermi liquid leads, we calculate the zero temperature linear conductance using the Landauer-Bttiker formalism and show that spin-polarization effects also evolve for the lattice model by adding an adequate potential structure and can be controlled by tuning the overall chemical potential of the system (quantum wire and leads). Next, we allow for a finite Coulomb interaction and use the functional renormalization group (fRG) method to capture correlation effects induced by the Coulomb interaction. The interacting system is thereby transformed into a noninteracting system with renormalized system parameters. For short wires (∝100 lattice sites), we show that the energy regime in which spin polarization is found is strongly affected by the Coulomb interaction. For long wires (>1000 lattice sites), we find the power-law suppression of the total linear conductance on low energy scales typical for inhomogeneous Luttinger liquids while the degree of spin polarization stays constant. Considering quantum dots which consist of two lattice sites, we observe the well-known Kondo effect and analyze, how the Kondo temperature is affected by the spin-orbit interaction. Moreover, we show

  10. CGC/saturation approach for soft interactions at high energy: long range rapidity correlations

    International Nuclear Information System (INIS)

    Gotsman, E.; Maor, U.; Levin, E.

    2015-01-01

    In this paper we continue our program to construct a model for high energy soft interactions that is based on the CGC/saturation approach. The main result of this paper is that we have discovered a mechanism that leads to large long range rapidity correlations and results in large values of the correlation function R(y 1 , y 2 ) ≥ 1, which is independent of y 1 and y 2 . Such a behavior of the correlation function provides strong support for the idea that at high energies the system of partons that is produced is not only dense but also has strong attractive forces acting between the partons. (orig.)

  11. Proton-proton and deuteron-deuteron correlations in interactions of relativistic helium nuclei with protons

    International Nuclear Information System (INIS)

    Galazka-Friedman, J.; Sobczak, T.; Stepaniak, J.; Zielinski, I.P.; Bano, M.; Hlavacova, J.; Martinska, G.; Patocka, J.; Seman, M.; Sandor, L.; Urban, J.

    1993-01-01

    The reactions 4 Hep→pp+X, 3 Hep→pp+X and 4 Hep→ddp have been investigated and the correlation function has been measured for protons and deuterons with small relative momenta. Strong positive correlation has been observed for protons related mainly to the final state interactions in 1 S 0 state. The root mean square radius of the proton source calculated from the correlation function has been found to be equal to (1.7±0.3) fm and (2.1±0.3) fm for 4 He and 3 He respectively. It agrees with the known radii of these nuclei. (orig.)

  12. Potential Functional Embedding Theory at the Correlated Wave Function Level. 2. Error Sources and Performance Tests.

    Science.gov (United States)

    Cheng, Jin; Yu, Kuang; Libisch, Florian; Dieterich, Johannes M; Carter, Emily A

    2017-03-14

    Quantum mechanical embedding theories partition a complex system into multiple spatial regions that can use different electronic structure methods within each, to optimize trade-offs between accuracy and cost. The present work incorporates accurate but expensive correlated wave function (CW) methods for a subsystem containing the phenomenon or feature of greatest interest, while self-consistently capturing quantum effects of the surroundings using fast but less accurate density functional theory (DFT) approximations. We recently proposed two embedding methods [for a review, see: Acc. Chem. Res. 2014 , 47 , 2768 ]: density functional embedding theory (DFET) and potential functional embedding theory (PFET). DFET provides a fast but non-self-consistent density-based embedding scheme, whereas PFET offers a more rigorous theoretical framework to perform fully self-consistent, variational CW/DFT calculations [as defined in part 1, CW/DFT means subsystem 1(2) is treated with CW(DFT) methods]. When originally presented, PFET was only tested at the DFT/DFT level of theory as a proof of principle within a planewave (PW) basis. Part 1 of this two-part series demonstrated that PFET can be made to work well with mixed Gaussian type orbital (GTO)/PW bases, as long as optimized GTO bases and consistent electron-ion potentials are employed throughout. Here in part 2 we conduct the first PFET calculations at the CW/DFT level and compare them to DFET and full CW benchmarks. We test the performance of PFET at the CW/DFT level for a variety of types of interactions (hydrogen bonding, metallic, and ionic). By introducing an intermediate CW/DFT embedding scheme denoted DFET/PFET, we show how PFET remedies different types of errors in DFET, serving as a more robust type of embedding theory.

  13. Electron correlation in the interacting quantum atoms partition via coupled-cluster lagrangian densities.

    Science.gov (United States)

    Holguín-Gallego, Fernando José; Chávez-Calvillo, Rodrigo; García-Revilla, Marco; Francisco, Evelio; Pendás, Ángel Martín; Rocha-Rinza, Tomás

    2016-07-15

    The electronic energy partition established by the Interacting Quantum Atoms (IQA) approach is an important method of wavefunction analyses which has yielded valuable insights about different phenomena in physical chemistry. Most of the IQA applications have relied upon approximations, which do not include either dynamical correlation (DC) such as Hartree-Fock (HF) or external DC like CASSCF theory. Recently, DC was included in the IQA method by means of HF/Coupled-Cluster (CC) transition densities (Chávez-Calvillo et al., Comput. Theory Chem. 2015, 1053, 90). Despite the potential utility of this approach, it has a few drawbacks, for example, it is not consistent with the calculation of CC properties different from the total electronic energy. To improve this situation, we have implemented the IQA energy partition based on CC Lagrangian one- and two-electron orbital density matrices. The development presented in this article is tested and illustrated with the H2 , LiH, H2 O, H2 S, N2 , and CO molecules for which the IQA results obtained under the consideration of (i) the CC Lagrangian, (ii) HF/CC transition densities, and (iii) HF are critically analyzed and compared. Additionally, the effect of the DC in the different components of the electronic energy in the formation of the T-shaped (H2 )2 van der Waals cluster and the bimolecular nucleophilic substitution between F(-) and CH3 F is examined. We anticipate that the approach put forward in this article will provide new understandings on subjects in physical chemistry wherein DC plays a crucial role like molecular interactions along with chemical bonding and reactivity. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  14. Electrophysiological correlates of social information processing for detecting agents in social interaction scenes: P200 and N250 components

    Directory of Open Access Journals (Sweden)

    Crivelli Davide

    2016-04-01

    Full Text Available According to interaction theories, the detection of situated agents and the understanding of their intentions and mental states are mediated by smart perceptual and embodied mechanisms. While the network supporting agency-attribution, action understanding, and grasping of others’ mental state is quite known, the actual mental chronometry of such social perception processes is still not clear. We then designed an exploratory study to investigate electrophysiological correlates (ERPs and source localization of information-processing for the detection of potential agents in realistic interaction scenes. Morphological and statistical analyses of electrophysiological data highlighted that the manipulation the nature of a potential agent, the gesture it executed and the relative position of an interagent was differently associated to the modulation of specific relevant middle-latency ERP components, labelled as P200 and N250, and of their relative intra-cortical current density distribution within the first 300 ms from the appearance of the stimulus.

  15. Nucleus-nucleus potential with repulsive core and elastic scattering. Part 1. Nucleus-nucleus interaction potential

    International Nuclear Information System (INIS)

    Davidovs'ka, O.Yi.; Denisov, V.Yu.; Nesterov, V.O.

    2010-01-01

    Various approaches for nucleus-nucleus interaction potential evaluation are discussed in details. It is shown that the antisymmetrization of nucleons belonging to different nuclei and the Pauli principle give the essential contribution into the nucleus-nucleus potential at distances, when nuclei are strongly overlapping, and lead to appearance of the repulsive core of nucleus nucleus interaction at small distances between nuclei.

  16. One-Body Potential Theory of Molecules and Solids Modified Semiempirically for Electron Correlation

    International Nuclear Information System (INIS)

    March, N.H.

    2010-08-01

    The study of Cordero, March and Alonso (CMA) for four spherical atoms, Be,Ne,Mg and Ar, semiempirically fine-tunes the Hartree-Fock (HF) ground-state electron density by inserting the experimentally determined ionization potentials. The present Letter, first of all, relates this approach to the very recent work of Bartlett 'towards an exact correlated orbital theory for electrons'. Both methods relax the requirement of standard DFT that a one-body potential shall generate the exact ground-state density, though both work with high quality approximations. Unlike DFT, the CMA theory uses a modified HF non-local potential. It is finally stressed that this potential generates also an idempotent Dirac density matrix. The CMA approach is thereby demonstrated to relate, albeit approximately, to the DFT exchange-correlation potential. (author)

  17. Characterization of relaxation processes in interacting vortex matter through a time-dependent correlation length

    International Nuclear Information System (INIS)

    Pleimling, Michel; Täuber, Uwe C

    2015-01-01

    Vortex lines in type-II superconductors display complicated relaxation processes due to the intricate competition between their mutual repulsive interactions and pinning to attractive point or extended defects. We perform extensive Monte Carlo simulations for an interacting elastic line model with either point-like or columnar pinning centers. From measurements of the space- and time-dependent height-height correlation function for lateral flux line fluctuations, we extract a characteristic correlation length that we use to investigate different non-equilibrium relaxation regimes. The specific time dependence of this correlation length for different disorder configurations displays characteristic features that provide a novel diagnostic tool to distinguish between point-like pinning centers and extended columnar defects. (paper)

  18. Cross-correlated relaxation rates between protein backbone H–X dipolar interactions

    International Nuclear Information System (INIS)

    Vögeli, Beat

    2017-01-01

    The relaxation interference between dipole–dipole interactions of two separate spin pairs carries structural and dynamics information. In particular, when compared to individual dynamic behavior of those spin pairs, such cross-correlated relaxation (CCR) rates report on the correlation between the spin pairs. We have recently mapped out correlated motion along the backbone of the protein GB3, using CCR rates among and between consecutive H N –N and H α –C α dipole–dipole interactions. Here, we provide a detailed account of the measurement of the four types of CCR rates. All rates were obtained from at least two different pulse sequences, of which the yet unpublished ones are presented. Detailed comparisons between the different methods and corrections for unwanted pathways demonstrate that the averaged CCR rates are highly accurate and precise with errors of 1.5–3% of the entire value ranges.

  19. Cross-correlated relaxation rates between protein backbone H–X dipolar interactions

    Energy Technology Data Exchange (ETDEWEB)

    Vögeli, Beat, E-mail: beat.vogeli@ucdenver.edu [University of Colorado Denver, Department of Biochemistry and Molecular Genetics (United States)

    2017-03-15

    The relaxation interference between dipole–dipole interactions of two separate spin pairs carries structural and dynamics information. In particular, when compared to individual dynamic behavior of those spin pairs, such cross-correlated relaxation (CCR) rates report on the correlation between the spin pairs. We have recently mapped out correlated motion along the backbone of the protein GB3, using CCR rates among and between consecutive H{sup N}–N and H{sup α}–C{sup α} dipole–dipole interactions. Here, we provide a detailed account of the measurement of the four types of CCR rates. All rates were obtained from at least two different pulse sequences, of which the yet unpublished ones are presented. Detailed comparisons between the different methods and corrections for unwanted pathways demonstrate that the averaged CCR rates are highly accurate and precise with errors of 1.5–3% of the entire value ranges.

  20. Superaging correlation function and ergodicity breaking for Brownian motion in logarithmic potentials.

    Science.gov (United States)

    Dechant, A; Lutz, E; Kessler, D A; Barkai, E

    2012-05-01

    We consider an overdamped Brownian particle moving in a confining asymptotically logarithmic potential, which supports a normalized Boltzmann equilibrium density. We derive analytical expressions for the two-time correlation function and the fluctuations of the time-averaged position of the particle for large but finite times. We characterize the occurrence of aging and nonergodic behavior as a function of the depth of the potential, and we support our predictions with extensive Langevin simulations. While the Boltzmann measure is used to obtain stationary correlation functions, we show how the non-normalizable infinite covariant density is related to the superaging behavior.

  1. Intrinsic interactive reinforcement learning - Using error-related potentials for real world human-robot interaction.

    Science.gov (United States)

    Kim, Su Kyoung; Kirchner, Elsa Andrea; Stefes, Arne; Kirchner, Frank

    2017-12-14

    Reinforcement learning (RL) enables robots to learn its optimal behavioral strategy in dynamic environments based on feedback. Explicit human feedback during robot RL is advantageous, since an explicit reward function can be easily adapted. However, it is very demanding and tiresome for a human to continuously and explicitly generate feedback. Therefore, the development of implicit approaches is of high relevance. In this paper, we used an error-related potential (ErrP), an event-related activity in the human electroencephalogram (EEG), as an intrinsically generated implicit feedback (rewards) for RL. Initially we validated our approach with seven subjects in a simulated robot learning scenario. ErrPs were detected online in single trial with a balanced accuracy (bACC) of 91%, which was sufficient to learn to recognize gestures and the correct mapping between human gestures and robot actions in parallel. Finally, we validated our approach in a real robot scenario, in which seven subjects freely chose gestures and the real robot correctly learned the mapping between gestures and actions (ErrP detection (90% bACC)). In this paper, we demonstrated that intrinsically generated EEG-based human feedback in RL can successfully be used to implicitly improve gesture-based robot control during human-robot interaction. We call our approach intrinsic interactive RL.

  2. Single-particle potential of the Λ hyperon in nuclear matter with chiral effective field theory NLO interactions including effects of Y N N three-baryon interactions

    Science.gov (United States)

    Kohno, M.

    2018-03-01

    Adopting hyperon-nucleon and hyperon-nucleon-nucleon interactions parametrized in chiral effective field theory, single-particle potentials of the Λ and Σ hyperons are evaluated in symmetric nuclear matter and in pure neutron matter within the framework of lowest-order Bruckner theory. The chiral NLO interaction bears strong Λ N -Σ N coupling. Although the Λ potential is repulsive if the coupling is switched off, the Λ N -Σ N correlation brings about the attraction consistent with empirical data. The Σ potential is repulsive, which is also consistent with empirical information. The interesting result is that the Λ potential becomes shallower beyond normal density. This provides the possibility of solving the hyperon puzzle without introducing ad hoc assumptions. The effects of the Λ N N -Λ N N and Λ N N -Σ N N three-baryon forces are considered. These three-baryon forces are first reduced to normal-ordered effective two-baryon interactions in nuclear matter and then incorporated in the G -matrix equation. The repulsion from the Λ N N -Λ N N interaction is of the order of 5 MeV at normal density and becomes larger with increasing density. The effects of the Λ N N -Σ N N coupling compensate the repulsion at normal density. The net effect of the three-baryon interactions on the Λ single-particle potential is repulsive at higher densities.

  3. Correlation potential of a test ion near a strongly charged plate.

    Science.gov (United States)

    Lu, Bing-Sui; Xing, Xiangjun

    2014-03-01

    We analytically calculate the correlation potential of a test ion near a strongly charged plate inside a dilute m:-n electrolyte. We do this by calculating the electrostatic Green's function in the presence of a nonlinear background potential, the latter having been obtained using the nonlinear Poisson-Boltzmann theory. We consider the general case where the dielectric constants of the plate and the electrolyte are distinct. The following generic results emerge from our analyses: (1) If the distance to the plate Δz is much larger than a Gouy-Chapman length, the plate surface will behave effectively as an infinitely charged surface, and the dielectric constant of the plate effectively plays no role. (2) If Δz is larger than a Gouy-Chapman length but shorter than a Debye length, the correlation potential can be interpreted in terms of an image charge that is three times larger than the source charge. This behavior is independent of the valences of the ions. (3) The Green's function vanishes inside the plate if the surface charge density is infinitely large; hence the electrostatic potential is constant there. In this respect, a strongly charged plate behaves like a conductor plate. (4) If Δz is smaller than a Gouy-Chapman length, the correlation potential is dominated by the conventional image charge due to the dielectric discontinuity at the interface. (5) If Δz is larger than a Debye length, the leading order behavior of the correlation potential will depend on the valences of the ions in the electrolyte. Furthermore, inside an asymmetric electrolyte, the correlation potential is singly screened, i.e., it undergoes exponential decay with a decay width equal to the Debye length.

  4. On the interaction potential in low energy ion scattering

    International Nuclear Information System (INIS)

    Chini, T.K.; Ghose, D.

    1989-01-01

    The shadow cones for 998 eV Li + → Ag and 2 keV Na + → Cu are calculated by classical scattering theory using Thomas-Fermi-Moliere potential, universal potential of Ziegler et al. and the Born-Mayer potential. It is found that the Born-Mayer potential with the parameters calculated by Andersen and Sigmund also predicts well the shape of the shadow cones. (orig.)

  5. Influence of Solvent-Solvent and Solute-Solvent Interaction Properties on Solvent-Mediated Potential

    International Nuclear Information System (INIS)

    Zhou Shiqi

    2005-01-01

    A recently proposed universal calculational recipe for solvent-mediated potential is applied to calculate excess potential of mean force between two large Lennard-Jones (LJ) or hard core attractive Yukawa particles immersed in small LJ solvent bath at supercritical state. Comparison between the present prediction with a hypernetted chain approximation adopted for solute-solute correlation at infinitely dilute limit and existing simulation data shows high accuracy for the region with large separation, and qualitative reliability for the solute particle contact region. The calculational simplicity of the present recipe allows for a detailed investigation on the effect of the solute-solvent and solvent-solvent interaction details on the excess potential of mean force. The resultant conclusion is that gathering of solvent particles near a solute particle leads to repulsive excess PMF, while depletion of solvent particles away from the solute particle leads to attractive excess PMF, and minor change of the solvent-solvent interaction range has large influence on the excess PMF.

  6. Studies of many-particle correlations in proton-nucleus interactions using distributions of rapidity-gaps between particles

    International Nuclear Information System (INIS)

    Mangotra, L.K.; Otterlund, I.; Stenlund, E.

    1985-01-01

    Many-particle correlations in proton-Emulsion interactions at 400 GeV have been investigated using distributions of rapidity-gaps between particles. We have defined the normalized semi-inclusive rapidity-gap correlation function which is shown to have advantages over the normalized two- particle correlation function. Small, but significant, deviations from zero-correlations are observed in the data

  7. Monte Carlo simulations of interacting particle mixtures in ratchet potentials

    International Nuclear Information System (INIS)

    Fendrik, A J; Romanelli, L

    2012-01-01

    There are different models of devices for achieving a separation of mixtures of particles by using the ratchet effect. On the other hand, it has been proposed that one could also control the separation by means of appropriate interactions. Through Monte Carlo simulations, we show that inclusion of simple interactions leads to a decrease of the ratchet effect and therefore also a separation of the mixtures.

  8. Assessment of Two-Phase Flow Heat Transfer Correlations for Molten Core-Concrete Interaction Study

    International Nuclear Information System (INIS)

    Tourniaire, B.; Varo, O.

    2006-01-01

    The prediction of heat transfer between corium pool and concrete basemat is of particular significance in the framework of the study of PWR's severe accident. Heat transfer directly governs the ablation velocity of concrete in case of molten core-concrete interaction (MCCI) and, consequently, the time delay when the reactor cavity may fail. From a restricted hydrodynamic point of view, this issue is related to heat transfer between a heated bubbling pool and a porous wall with gas injection. Several experimental studies have been performed with simulant materials and many correlations have been provided to address this issue. The main purpose of this paper is to assess these correlations from comparisons against the available experimental data. After a review of these data, the different correlations are presented. Attention focuses here on the correlations generally used in MCCI study: Kutateladze-Malenkov, Konsetov and BALI correlations. The Deckwer's correlation is also included in this review. The comparisons between the results of these correlations and the experimental data are then discussed. (authors)

  9. Importance of the correlation contribution for local hybrid functionals: range separation and self-interaction corrections.

    Science.gov (United States)

    Arbuznikov, Alexei V; Kaupp, Martin

    2012-01-07

    Local hybrid functionals with their position-dependent exact-exchange admixture are a conceptually simple and promising extension of the concept of a hybrid functional. Local hybrids based on a simple mixing of the local spin density approximation (LSDA) with exact exchange have been shown to be successful for thermochemistry, reaction barriers, and a range of other properties. So far, the combination of this generation of local hybrids with an LSDA correlation functional has been found to give the most favorable results for atomization energies, for a range of local mixing functions (LMFs) governing the exact-exchange admixture. Here, we show that the choice of correlation functional to be used with local hybrid exchange crucially influences the parameterization also of the exchange part as well as the overall performance. A novel ansatz for the correlation part of local hybrids is suggested based on (i) range-separation of LSDA correlation into short-range (SR) and long-range (LR) parts, and (ii) partial or full elimination of the one-electron self-correlation from the SR part. It is shown that such modified correlation functionals allow overall larger exact exchange admixture in thermochemically competitive local hybrids than before. This results in improvements for reaction barriers and for other properties crucially influenced by self-interaction errors, as demonstrated by a number of examples. Based on the range-separation approach, a fresh view on the breakdown of the correlation energy into dynamical and non-dynamical parts is suggested.

  10. Potential of endozoochorous seed dispersal by sheep in calcareous grasslands: correlations with seed traits.

    NARCIS (Netherlands)

    Kuiters, A.T.; Huiskes, H.P.J.

    2010-01-01

    Questions: What is the potential of sheep to serve as seed dispersers via ingestion and defecation in calcareous grasslands? Is the presence of viable seeds from dung correlated with specific seed traits? Location: Calcareous grasslands, South Limburg, the Netherlands/Belgium. Methods: Dung samples

  11. Correlating Nitrile IR Frequencies to Local Electrostatics Quantifies Noncovalent Interactions of Peptides and Proteins.

    Science.gov (United States)

    Deb, Pranab; Haldar, Tapas; Kashid, Somnath M; Banerjee, Subhrashis; Chakrabarty, Suman; Bagchi, Sayan

    2016-05-05

    Noncovalent interactions, in particular the hydrogen bonds and nonspecific long-range electrostatic interactions are fundamental to biomolecular functions. A molecular understanding of the local electrostatic environment, consistently for both specific (hydrogen-bonding) and nonspecific electrostatic (local polarity) interactions, is essential for a detailed understanding of these processes. Vibrational Stark Effect (VSE) has proven to be an extremely useful method to measure the local electric field using infrared spectroscopy of carbonyl and nitrile based probes. The nitrile chemical group would be an ideal choice because of its absorption in an infrared spectral window transparent to biomolecules, ease of site-specific incorporation into proteins, and common occurrence as a substituent in various drug molecules. However, the inability of VSE to describe the dependence of IR frequency on electric field for hydrogen-bonded nitriles to date has severely limited nitrile's utility to probe the noncovalent interactions. In this work, using infrared spectroscopy and atomistic molecular dynamics simulations, we have reported for the first time a linear correlation between nitrile frequencies and electric fields in a wide range of hydrogen-bonding environments that may bridge the existing gap between VSE and H-bonding interactions. We have demonstrated the robustness of this field-frequency correlation for both aromatic nitriles and sulfur-based nitriles in a wide range of molecules of varying size and compactness, including small molecules in complex solvation environments, an amino acid, disordered peptides, and structured proteins. This correlation, when coupled to VSE, can be used to quantify noncovalent interactions, specific or nonspecific, in a consistent manner.

  12. Quantum correlation approach to criticality in the XX spin chain with multiple interaction

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, W.W., E-mail: weien.cheng@gmail.com [Institute of Signal Processing and Transmission, Nanjing University of Posts and Telecommunication, Nanjing 210003 (China); Department of Physics, Hubei Normal University, Huangshi 435002 (China); Key Lab of Broadband Wireless Communication and Sensor Network Technology, Ministry of Education (China); Shan, C.J. [Department of Physics, Hubei Normal University, Huangshi 435002 (China); Sheng, Y.B.; Gong, L.Y.; Zhao, S.M. [Institute of Signal Processing and Transmission, Nanjing University of Posts and Telecommunication, Nanjing 210003 (China); Key Lab of Broadband Wireless Communication and Sensor Network Technology, Ministry of Education (China)

    2012-09-01

    We investigate the quantum critical behavior in the XX spin chain with a XZY-YZX type multiple interaction by means of quantum correlation (Concurrence C, quantum discord D{sub Q} and geometric discord D{sub G}). Around the critical point, the values of these quantum correlations and corresponding derivatives are investigated numerically and analytically. The results show that the non-analyticity property of the concurrence cannot signal well the quantum phase transition, but both the quantum discord and geometric discord can characterize the critical behavior in such model exactly.

  13. Evidence of tensor correlations in the nuclear many-body system using a modern NN potential

    International Nuclear Information System (INIS)

    Fiase, J.O.; Nkoma, J.S.; Sharmaand, L.K.; Hosaka, A.

    2003-01-01

    In this paper we show evidence of the importance of tensor correlations in the nuclear many-body system by calculating the effective two-body nuclear matrix elements in the frame work of the Lowest-Order Constrained Variational (LOCV) technique with two-body correlation functions using the Reid93 potential. We have achieved this by switching on and off the strength of the tensor correlations, α k . We have found that in order to obtain reasonable agreement with earlier calculations based on the G-matrix theory, we must turn on the strength of the tensor correlations especially in the triplet even (TE) and tensor even (TNE) channels to take the value of approximately, 0.05. As an application, we have estimated the value of the Landau - Migdal parameter, g' NN which we found to be g' NN = 0.65. This compares favorably with the G-matrix calculated value of g' NN = 0.54. (author)

  14. MODELLING THE INTERACTION IN GAME SPORTS - RELATIVE PHASE AND MOVING CORRELATIONS

    Directory of Open Access Journals (Sweden)

    Martin Lames

    2006-12-01

    Full Text Available Model building in game sports should maintain the constitutive feature of this group of sports, the dynamic interaction process between the two parties. For single net/wall games relative phase is suggested to describe the positional interaction between the two players. 30 baseline rallies in tennis were examined and relative phase was calculated by Hilbert transform from the two time-series of lateral displacement and trajectory in the court respectively. Results showed that relative phase indicates some aspects of the tactical interaction in tennis. At a more abstract level the interaction between two teams in handball was studied by examining the relationship of the two scoring processes. Each process can be conceived as a random walk. Moving averages of the scoring probabilities indicate something like a momentary strength. A moving correlation (length = 20 ball possessions describes the momentary relationship between the teams' strength. Evidence was found that this correlation is heavily time-dependent, in almost every single game among the 40 examined ones we found phases with a significant positive as well as significant negative relationship. This underlines the importance of a dynamic view on the interaction in these games.

  15. Accurate double many-body expansion potential energy surface of HS2A2A′) by scaling the external correlation

    International Nuclear Information System (INIS)

    Zhang Lu-Lu; Song Yu-Zhi; Gao Shou-Bao; Zhang Yuan; Meng Qing-Tian

    2016-01-01

    A globally accurate single-sheeted double many-body expansion potential energy surface is reported for the first excited state of HS 2 by fitting the accurate ab initio energies, which are calculated at the multireference configuration interaction level with the aug-cc-pV Q Z basis set. By using the double many-body expansion-scaled external correlation method, such calculated ab initio energies are then slightly corrected by scaling their dynamical correlation. A grid of 2767 ab initio energies is used in the least-square fitting procedure with the total root-mean square deviation being 1.406 kcal·mol −1 . The topographical features of the HS 2 (A 2 A′) global potential energy surface are examined in detail. The attributes of the stationary points are presented and compared with the corresponding ab initio results as well as experimental and other theoretical data, showing good agreement. The resulting potential energy surface of HS 2 (A 2 A′) can be used as a building block for constructing the global potential energy surfaces of larger S/H molecular systems and recommended for dynamic studies on the title molecular system. (paper)

  16. Two-Way Gene Interaction From Microarray Data Based on Correlation Methods.

    Science.gov (United States)

    Alavi Majd, Hamid; Talebi, Atefeh; Gilany, Kambiz; Khayyer, Nasibeh

    2016-06-01

    Gene networks have generated a massive explosion in the development of high-throughput techniques for monitoring various aspects of gene activity. Networks offer a natural way to model interactions between genes, and extracting gene network information from high-throughput genomic data is an important and difficult task. The purpose of this study is to construct a two-way gene network based on parametric and nonparametric correlation coefficients. The first step in constructing a Gene Co-expression Network is to score all pairs of gene vectors. The second step is to select a score threshold and connect all gene pairs whose scores exceed this value. In the foundation-application study, we constructed two-way gene networks using nonparametric methods, such as Spearman's rank correlation coefficient and Blomqvist's measure, and compared them with Pearson's correlation coefficient. We surveyed six genes of venous thrombosis disease, made a matrix entry representing the score for the corresponding gene pair, and obtained two-way interactions using Pearson's correlation, Spearman's rank correlation, and Blomqvist's coefficient. Finally, these methods were compared with Cytoscape, based on BIND, and Gene Ontology, based on molecular function visual methods; R software version 3.2 and Bioconductor were used to perform these methods. Based on the Pearson and Spearman correlations, the results were the same and were confirmed by Cytoscape and GO visual methods; however, Blomqvist's coefficient was not confirmed by visual methods. Some results of the correlation coefficients are not the same with visualization. The reason may be due to the small number of data.

  17. Controlling Correlated Tunneling and Superexchange Interactions with ac-Driven Optical Lattices

    International Nuclear Information System (INIS)

    Chen, Yu-Ao; Nascimbene, Sylvain; Aidelsburger, Monika; Atala, Marcos; Trotzky, Stefan; Bloch, Immanuel

    2011-01-01

    The dynamical control of tunneling processes of single particles plays a major role in science ranging from Shapiro steps in Josephson junctions to the control of chemical reactions via light in molecules. Here we show how such control can be extended to the regime of correlated tunneling of strongly interacting particles. Through a periodic modulation of a biased tunnel contact, we have been able to coherently control single-particle and correlated two-particle hopping processes. We have furthermore been able to extend this control to superexchange spin interactions in the presence of a magnetic-field gradient. Such photon-assisted superexchange processes constitute a novel approach to realize arbitrary XXZ spin models in ultracold quantum gases, where transverse and Ising-type spin couplings can be fully controlled in magnitude and sign.

  18. Even-parity spin-triplet pairing by purely repulsive interactions for orbitally degenerate correlated fermions

    International Nuclear Information System (INIS)

    Zegrodnik, M; Bünemann, J; Spałek, J

    2014-01-01

    We demonstrate the stability of the spin-triplet paired s-wave (with an admixture of extended s-wave) state for the limit of purely repulsive interactions in a degenerate two-band Hubbard model of correlated fermions. The repulsive interactions limit represents an essential extension of our previous analysis (2013 New J. Phys. 15 073050), regarded here as I. We also show that near the half-filling the considered type of superconductivity can coexist with antiferromagnetism. The calculations have been carried out with the use of the so-called statistically consistent Gutzwiller approximation (SGA) for the case of a square lattice. We suggest that the electron correlations in conjunction with the Hund's rule exchange play the crucial role in stabilizing the real-space spin-triplet superconducting state. A sizable hybridization of the bands suppresses the homogeneous paired state. (paper)

  19. Increasing the applicability of density functional theory. IV. Consequences of ionization-potential improved exchange-correlation potentials.

    Science.gov (United States)

    Verma, Prakash; Bartlett, Rodney J

    2014-05-14

    This paper's objective is to create a "consistent" mean-field based Kohn-Sham (KS) density functional theory (DFT) meaning the functional should not only provide good total energy properties, but also the corresponding KS eigenvalues should be accurate approximations to the vertical ionization potentials (VIPs) of the molecule, as the latter condition attests to the viability of the exchange-correlation potential (VXC). None of the prominently used DFT approaches show these properties: the optimized effective potential VXC based ab initio dft does. A local, range-separated hybrid potential cam-QTP-00 is introduced as the basis for a "consistent" KS DFT approach. The computed VIPs as the negative of KS eigenvalue have a mean absolute error of 0.8 eV for an extensive set of molecule's electron ionizations, including the core. Barrier heights, equilibrium geometries, and magnetic properties obtained from the potential are in good agreement with experiment. A similar accuracy with less computational efforts can be achieved by using a non-variational global hybrid variant of the QTP-00 approach.

  20. Off-shell sensitivity, repulsive correlations and the pion-nucleus optical potential

    Energy Technology Data Exchange (ETDEWEB)

    Keister, B D [Carnegie-Mellon Univ., Pittsburgh, Pa. (USA). Dept. of Physics

    1977-07-01

    Repulsive nucleon-nucleon correlations tend to reduce the dependence of pion-nucleus elastic scattering upon the off-shell pion-nucleon dynamics. However, optical potential calculations can in practice be quite sensitive to the particular choice of off-shell model parameters. It is argued that this sensitivity results from the nature of the optical potential as a one-body operator which introduces extra off-shell dependence not found in physical many-body process itself. Thus, one must be very careful in any attempt to extract correlation or off-shell information, or to predict pion-nucleus phase shifts, by means of an optical potential theory. Results of model calculations are presented for purposes of illustration.

  1. Exact exchange-correlation potentials of singlet two-electron systems

    Science.gov (United States)

    Ryabinkin, Ilya G.; Ospadov, Egor; Staroverov, Viktor N.

    2017-10-01

    We suggest a non-iterative analytic method for constructing the exchange-correlation potential, v XC ( r ) , of any singlet ground-state two-electron system. The method is based on a convenient formula for v XC ( r ) in terms of quantities determined only by the system's electronic wave function, exact or approximate, and is essentially different from the Kohn-Sham inversion technique. When applied to Gaussian-basis-set wave functions, the method yields finite-basis-set approximations to the corresponding basis-set-limit v XC ( r ) , whereas the Kohn-Sham inversion produces physically inappropriate (oscillatory and divergent) potentials. The effectiveness of the procedure is demonstrated by computing accurate exchange-correlation potentials of several two-electron systems (helium isoelectronic series, H2, H3 + ) using common ab initio methods and Gaussian basis sets.

  2. Relativistic configuration-interaction calculation of the correlation energies of heliumlike ions. Revision 1

    International Nuclear Information System (INIS)

    Cheng, K.T.; Chen, M.H.; Johnson, W.R.

    1994-04-01

    A new relativistic configuration-interaction (CI) method using B-spline basis functions has been developed to study the correlation energies of two-electron heliumlike ions. Based on the relativistic no-pair Hamiltonian, the CI equation leads to a symmetric eigenvalue problem involving large, dense matrices. Davidson's method is used to obtain the lowest few eigenenergies and eigenfunctions. Results on transition energies and finite structure splittings for heliumlike ions are in very good agreement with experiment throughout the periodic table

  3. Bose-Einstein correlations in αα,pp and panti p interactions

    International Nuclear Information System (INIS)

    Akesson, T.; Batley, R.; Breuker, H.; Dam, P.; Eidelman, S.; Fabjan, C.W.; Frandsen, P.; Goerlach, U.; Heck, B.; Hilke, H.J.; Jeffreys, P.; Kalinovsky, A.; Kesseler, G.; Lans, J. van der; Lindsay, J.; Markou, A.; Nielsen, B.S.; Olsen, L.H.; Rosselet, L.; Schindler, R.; Willis, W.J.; Witzeling, W.; Albrow, M.G.; Cockerill, D.; Evans, W.M.; Gibson, M.; Hiddleston, J.; McCubbin, N.A.; Williamson, J.; Benary, O.; Dagan, S.; Lissauer, D.; Oren, Y.; Boeggild, H.; Botner, O.; Dahl-Jensen, E.; Dahl-Jensen, I.; Damgaard, G.; Hansen, K.H.; Hooper, J.; Moeller, R.; Brody, H.; Frankel, S.; Frati, W.; Molzon, W.; Vella, E.; Zajc, W.A.; Burkert, V.; Rosso, E.; Rudge, A.; Carter, J.R.; Cecil, P.; Chung, S.U.; Gordon, H.; Killian, T.; Ludlam, T.; Winik, M.; Woody, C.; Cleland, W.E.; Kroeger, R.; Sullivan, M.

    1983-01-01

    Bose-Einstein correlations between pions produced in the central region of rapidity in αα, pp and panti p interactions have been studied at the ISR. The parameters r and tauc - often interpreted as the radius and depth of the π-emitting region - are found to be independent of incident particle type but to depend on the mean charged multiplicity. In high multiplicity events, the pions appear to originate from a larger space - time region. (orig.)

  4. Gear-based species selectivity and potential interactions between ...

    African Journals Online (AJOL)

    ... and competition between different co-occurring fisheries is therefore important for the implementation of ecosystem based fisheries management interventions. In this study, we used multivariate and ecological approaches to evaluate gear competition and interactions between artisanal and aquarium fishers using a case ...

  5. Separable potential model for K- N interactions at low energies

    Czech Academy of Sciences Publication Activity Database

    Cieplý, Aleš; Smejkal, J.

    2010-01-01

    Roč. 43, č. 2 (2010), s. 191-208 ISSN 1434-6001 R&D Projects: GA ČR GA202/09/1441 Institutional research plan: CEZ:AV0Z10480505 Keywords : CHIRAL PERTURBATION- THEORY * KAON-NUCLEON INTERACTIONS * SCATTERING LENGTHS Subject RIV: BE - Theoretical Physics Impact factor: 2.592, year: 2010

  6. The Potential Perils of Praise in a Democratic Interactive Classroom.

    Science.gov (United States)

    Larrivee, Barbara

    2002-01-01

    Teacher praise can undermine the development of fundamental democratic values. This article presents styles of teacher talk in line with the principles and goals of democratic leadership and interactive teaching. Advocated discourse patterns encourage self-evaluation and self-reflection, enabling students to develop standards for judging their own…

  7. Correlational approach to study interactions between dust Brownian particles in a plasma

    Science.gov (United States)

    Lisin, E. A.; Vaulina, O. S.; Petrov, O. F.

    2018-01-01

    A general approach to the correlational analysis of Brownian motion of strongly coupled particles in open dissipative systems is described. This approach can be applied to the theoretical description of various non-ideal statistically equilibrium systems (including non-Hamiltonian systems), as well as for the analysis of experimental data. In this paper, we consider an application of the correlational approach to the problem of experimental exploring the wake-mediated nonreciprocal interactions in complex plasmas. We derive simple analytic equations, which allows one to calculate the gradients of forces acting on a microparticle due to each of other particles as well as the gradients of external field, knowing only the information on time-averaged correlations of particles displacements and velocities. We show the importance of taking dissipative and random processes into account, without which consideration of a system with a nonreciprocal interparticle interaction as linearly coupled oscillators leads to significant errors in determining the characteristic frequencies in a system. In the examples of numerical simulations, we demonstrate that the proposed original approach could be an effective instrument in exploring the longitudinal wake structure of a microparticle in a plasma. Unlike the previous attempts to study the wake-mediated interactions in complex plasmas, our method does not require any external perturbations and is based on Brownian motion analysis only.

  8. CGC/saturation approach for soft interactions at high energy: long range rapidity correlations

    Energy Technology Data Exchange (ETDEWEB)

    Gotsman, E.; Maor, U. [Tel Aviv University, Department of Particle Physics, School of Physics and Astronomy, Raymond and Beverly Sackler Faculty of Exact Science, Tel Aviv (Israel); Levin, E. [Tel Aviv University, Department of Particle Physics, School of Physics and Astronomy, Raymond and Beverly Sackler Faculty of Exact Science, Tel Aviv (Israel); Universidad Tecnica Federico Santa Maria and Centro Cientifico- Tecnologico de Valparaiso, Departemento de Fisica, Valparaiso (Chile)

    2015-11-15

    In this paper we continue our program to construct a model for high energy soft interactions that is based on the CGC/saturation approach. The main result of this paper is that we have discovered a mechanism that leads to large long range rapidity correlations and results in large values of the correlation function R(y{sub 1}, y{sub 2}) ≥ 1, which is independent of y{sub 1} and y{sub 2}. Such a behavior of the correlation function provides strong support for the idea that at high energies the system of partons that is produced is not only dense but also has strong attractive forces acting between the partons. (orig.)

  9. Musical Imagery Involves Wernicke's Area in Bilateral and Anti-Correlated Network Interactions in Musicians.

    Science.gov (United States)

    Zhang, Yizhen; Chen, Gang; Wen, Haiguang; Lu, Kun-Han; Liu, Zhongming

    2017-12-06

    Musical imagery is the human experience of imagining music without actually hearing it. The neural basis of this mental ability is unclear, especially for musicians capable of engaging in accurate and vivid musical imagery. Here, we created a visualization of an 8-minute symphony as a silent movie and used it as real-time cue for musicians to continuously imagine the music for repeated and synchronized sessions during functional magnetic resonance imaging (fMRI). The activations and networks evoked by musical imagery were compared with those elicited by the subjects directly listening to the same music. Musical imagery and musical perception resulted in overlapping activations at the anterolateral belt and Wernicke's area, where the responses were correlated with the auditory features of the music. Whereas Wernicke's area interacted within the intrinsic auditory network during musical perception, it was involved in much more complex networks during musical imagery, showing positive correlations with the dorsal attention network and the motor-control network and negative correlations with the default-mode network. Our results highlight the important role of Wernicke's area in forming vivid musical imagery through bilateral and anti-correlated network interactions, challenging the conventional view of segregated and lateralized processing of music versus language.

  10. Heat shock-induced interactions among nuclear HSFs detected by fluorescence cross-correlation spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Pack, Chan-Gi, E-mail: changipack@amc.seoul.kr [Asan Institute for Life Sciences, University of Ulsan, College of Medicine, Asan Medical Center, Seoul 138-736 (Korea, Republic of); Ahn, Sang-Gun [Dept. of Pathology, College of Dentistry, Chosun University, Seosuk-dong, Dong-gu, Gwangju 501-759 (Korea, Republic of)

    2015-07-31

    The cellular response to stress is primarily controlled in cells via transcriptional activation by heat shock factor 1 (HSF1). HSF1 is well-known to form homotrimers for activation upon heat shock and subsequently bind to target DNAs, such as heat-shock elements, by forming stress granules. A previous study demonstrated that nuclear HSF1 and HSF2 molecules in live cells interacted with target DNAs on the stress granules. However, the process underlying the binding interactions of HSF family in cells upon heat shock remains unclear. This study demonstrate for the first time that the interaction kinetics among nuclear HSF1, HSF2, and HSF4 upon heat shock can be detected directly in live cells using dual color fluorescence cross-correlation spectroscopy (FCCS). FCCS analyses indicated that the binding between HSFs was dramatically changed by heat shock. Interestingly, the recovery kinetics of interaction between HSF1 molecules after heat shock could be represented by changes in the relative interaction amplitude and mobility. - Highlights: • The binding interactions among nuclear HSFs were successfully detected. • The binding kinetics between HSF1s during recovery was quantified. • HSF2 and HSF4 strongly formed hetero-complex, even before heat shock. • Nuclear HSF2 and HSF4 bound to HSF1 only after heat shock.

  11. Superadditive correlation

    International Nuclear Information System (INIS)

    Giraud, B.G.; Heumann, J.M.; Lapedes, A.S.

    1999-01-01

    The fact that correlation does not imply causation is well known. Correlation between variables at two sites does not imply that the two sites directly interact, because, e.g., correlation between distant sites may be induced by chaining of correlation between a set of intervening, directly interacting sites. Such 'noncausal correlation' is well understood in statistical physics: an example is long-range order in spin systems, where spins which have only short-range direct interactions, e.g., the Ising model, display correlation at a distance. It is less well recognized that such long-range 'noncausal' correlations can in fact be stronger than the magnitude of any causal correlation induced by direct interactions. We call this phenomenon superadditive correlation (SAC). We demonstrate this counterintuitive phenomenon by explicit examples in (i) a model spin system and (ii) a model continuous variable system, where both models are such that two variables have multiple intervening pathways of indirect interaction. We apply the technique known as decimation to explain SAC as an additive, constructive interference phenomenon between the multiple pathways of indirect interaction. We also explain the effect using a definition of the collective mode describing the intervening spin variables. Finally, we show that the SAC effect is mirrored in information theory, and is true for mutual information measures in addition to correlation measures. Generic complex systems typically exhibit multiple pathways of indirect interaction, making SAC a potentially widespread phenomenon. This affects, e.g., attempts to deduce interactions by examination of correlations, as well as, e.g., hierarchical approximation methods for multivariate probability distributions, which introduce parameters based on successive orders of correlation. copyright 1999 The American Physical Society

  12. Exact results relating spin-orbit interactions in two-dimensional strongly correlated systems

    Science.gov (United States)

    Kucska, Nóra; Gulácsi, Zsolt

    2018-06-01

    A 2D square, two-bands, strongly correlated and non-integrable system is analysed exactly in the presence of many-body spin-orbit interactions via the method of Positive Semidefinite Operators. The deduced exact ground states in the high concentration limit are strongly entangled, and given by the spin-orbit coupling are ferromagnetic and present an enhanced carrier mobility, which substantially differs for different spin projections. The described state emerges in a restricted parameter space region, which however is clearly accessible experimentally. The exact solutions are provided via the solution of a matching system of equations containing 74 coupled, non-linear and complex algebraic equations. In our knowledge, other exact results for 2D interacting systems with spin-orbit interactions are not present in the literature.

  13. Indolealkylamines: Biotransformations and Potential Drug–Drug Interactions

    OpenAIRE

    Yu, Ai-Ming

    2008-01-01

    Indolealkylamine (IAA) drugs are 5-hydroxytryptamine (5-HT or serotonin) analogs that mainly act on the serotonin system. Some IAAs are clinically utilized for antimigraine therapy, whereas other substances are notable as drugs of abuse. In the clinical evaluation of antimigraine triptan drugs, studies on their biotransformations and pharmacokinetics would facilitate the understanding and prevention of unwanted drug–drug interactions (DDIs). A stable, principal metabolite of an IAA drug of ab...

  14. Born-Oppenheimer potential energy for interaction of antihydrogen with molecular hydrogen

    International Nuclear Information System (INIS)

    Strasburger, Krzysztof

    2005-01-01

    Inelastic collisions with hydrogen molecules are claimed to be an important channel of antihydrogen Hbar losses (Armour and Zeman 1999 Int. J. Quantum Chem. 74 645). In the present work, interaction energies for the H 2 -Hbar system in the ground state have been calculated within the Born-Oppenheimer approximation. The leptonic problem was solved variationally with the basis of explicitly correlated Gaussian functions. The geometry of H 2 was fixed at equilibrium geometry and the Hbar atom approached the molecule from two directions-along or perpendicularly to the bond axis. Purely attractive potential energy curve has been obtained for the first nuclear configuration, while a local maximum (lower than the energy at infinite separation) has been found for the second one

  15. Born Oppenheimer potential energy for interaction of antihydrogen with molecular hydrogen

    Science.gov (United States)

    Strasburger, Krzysztof

    2005-09-01

    Inelastic collisions with hydrogen molecules are claimed to be an important channel of antihydrogen (\\overlineH) losses (Armour and Zeman 1999 Int. J. Quantum Chem. 74 645). In the present work, interaction energies for the H_{2}\\--\\overlineH system in the ground state have been calculated within the Born-Oppenheimer approximation. The leptonic problem was solved variationally with the basis of explicitly correlated Gaussian functions. The geometry of H2 was fixed at equilibrium geometry and the \\overlineH atom approached the molecule from two directions—along or perpendicularly to the bond axis. Purely attractive potential energy curve has been obtained for the first nuclear configuration, while a local maximum (lower than the energy at infinite separation) has been found for the second one.

  16. Anharmonic correlated Debye model high-order expanded interatomic effective potential and Debye-Waller factors of bcc crystals

    Energy Technology Data Exchange (ETDEWEB)

    Van Hung, Nguyen, E-mail: hungnv@vnu.edu.vn [Department of Physics, Hanoi University of Science, 334 Nguyen Trai, Thanh Xuan, Hanoi (Viet Nam); Hue, Trinh Thi [Department of Physics, Hanoi University of Science, 334 Nguyen Trai, Thanh Xuan, Hanoi (Viet Nam); Khoa, Ha Dang [School of Engineering Physics, Hanoi University of Science and Technology, 1 Dai Co Viet, Hanoi (Viet Nam); Vuong, Dinh Quoc [Quang Ninh Education & Training Department, Nguyen Van Cu, Ha Long, Quang Ninh (Viet Nam)

    2016-12-15

    High-order expanded interatomic effective potential and Debye-Waller factors (DWFs) for local vibrational amplitudes in X-ray absorption fine structure (XAFS) of bcc crystals have been studied based on the anharmonic correlated Debye model. DWFs are presented in terms of cumulant expansion up to the fourth order and the many-body effects are taken into account in the present one-dimensional model based on the first shell near neighbor contribution approach used in the derivations of the anharmonic effective potential and XAFS cumulants where Morse potential is assumed to describe the single-pair atomic interaction. Analytical expressions for the dispersion relation, correlated Debye frequency and temperature and four first temperature-dependent XAFS cumulants have been derived based on the many-body perturbation approach. Thermodynamic properties and anharmonic effects in XAFS of bcc crystals described by the obtained cumulants have been in detail discussed. The advantage and efficiency of the present theory are illustrated by good agreement of the numerical results for Mo, Fe and W with experiment.

  17. Stochastic resonance in a delayed triple-well potential driven by correlated noises.

    Science.gov (United States)

    Xu, Pengfei; Jin, Yanfei; Xiao, Shaomin

    2017-11-01

    In this paper, we investigate stochastic resonance (SR) in a delayed triple-well potential subject to correlated noises and a harmonic signal. The stationary probability density, together with the response amplitude of the system, is obtained by using the small time delay approximation. It is found that the time delay, noise intensities, and the cross-correlation between noises can induce the occurrence of the transition. Moreover, the appropriate choice of noise intensities and time delay can improve the output of the system, enhance the SR effect, and lead to the phenomenon of noise enhanced stability. Especially, the stochastic multi-resonance phenomenon is observed when the multiplicative and additive noises are correlated. Finally, the theoretical results are well verified through numerical simulations.

  18. Chemical-potential flow equations for graphene with Coulomb interactions

    Science.gov (United States)

    Fräßdorf, Christian; Mosig, Johannes E. M.

    2018-06-01

    We calculate the chemical potential dependence of the renormalized Fermi velocity and static dielectric function for Dirac quasiparticles in graphene nonperturbatively at finite temperature. By reinterpreting the chemical potential as a flow parameter in the spirit of the functional renormalization group (fRG) we obtain a set of flow equations, which describe the change of these functions upon varying the chemical potential. In contrast to the fRG the initial condition of the flow is nontrivial and has to be calculated separately. Our results are consistent with a charge carrier-independent Fermi velocity v (k ) for small densities n ≲k2/π , supporting the comparison of the zero-density fRG calculation of Bauer et al. [Phys. Rev. B 92, 121409 (2015), 10.1103/PhysRevB.92.121409], with the experiment of Elias et al. [Nat. Phys. 7, 701 (2011), 10.1038/nphys2049].

  19. The fusion of heavy ions in an interaction potential model

    International Nuclear Information System (INIS)

    Zipper, W.

    1980-01-01

    The paper contains the problems connected with fusion processes in heavy ions collision. Results of experimental fusion data for reactions: 9 Be + 12 C, 6 Li + 28 Si, 9 Be + 28 Si, 12 C + 28 Si, 12 C + 16 O and 16 O + 16 O are presented. Comparison of measured fusion cross sections with predictions of the fusion potential model have been made. The validity of this model for both light systems, like 9 Be + 12 C and heavy systems, like 35 Cl + 62 Ni, have been discussed. In conclusion, it should be stated that fusion cross sections could be correctly predicted by the potential model with a potential describing the elastic scattering data. (author)

  20. Correlation between safety assessments in the driver-car interaction design process.

    Science.gov (United States)

    Broström, Robert; Bengtsson, Peter; Axelsson, Jakob

    2011-05-01

    With the functional revolution in modern cars, evaluation methods to be used in all phases of driver-car interaction design have gained importance. It is crucial for car manufacturers to discover and solve safety issues early in the interaction design process. A current problem is thus to find a correlation between the formative methods that are used during development and the summative methods that are used when the product has reached the customer. This paper investigates the correlation between efficiency metrics from summative and formative evaluations, where the results of two studies on sound and navigation system tasks are compared. The first, an analysis of the J.D. Power and Associates APEAL survey, consists of answers given by about two thousand customers. The second, an expert evaluation study, was done by six evaluators who assessed the layouts by task completion time, TLX and Nielsen heuristics. The results show a high degree of correlation between the studies in terms of task efficiency, i.e. between customer ratings and task completion time, and customer ratings and TLX. However, no correlation was observed between Nielsen heuristics and customer ratings, task completion time or TLX. The results of the studies introduce a possibility to develop a usability evaluation framework that includes both formative and summative approaches, as the results show a high degree of consistency between the different methodologies. Hence, combining a quantitative approach with the expert evaluation method, such as task completion time, should be more useful for driver-car interaction design. Copyright © 2010 Elsevier Ltd and The Ergonomics Society. All rights reserved.

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

    Science.gov (United States)

    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.

  2. Freezing and extreme-value statistics in a random energy model with logarithmically correlated potential

    International Nuclear Information System (INIS)

    Fyodorov, Yan V; Bouchaud, Jean-Philippe

    2008-01-01

    We investigate some implications of the freezing scenario proposed by Carpentier and Le Doussal (CLD) for a random energy model (REM) with logarithmically correlated random potential. We introduce a particular (circular) variant of the model, and show that the integer moments of the partition function in the high-temperature phase are given by the well-known Dyson Coulomb gas integrals. The CLD freezing scenario allows one to use those moments for extracting the distribution of the free energy in both high- and low-temperature phases. In particular, it yields the full distribution of the minimal value in the potential sequence. This provides an explicit new class of extreme-value statistics for strongly correlated variables, manifestly different from the standard Gumbel class. (fast track communication)

  3. Freezing and extreme-value statistics in a random energy model with logarithmically correlated potential

    Energy Technology Data Exchange (ETDEWEB)

    Fyodorov, Yan V [School of Mathematical Sciences, University of Nottingham, Nottingham NG72RD (United Kingdom); Bouchaud, Jean-Philippe [Science and Finance, Capital Fund Management 6-8 Bd Haussmann, 75009 Paris (France)

    2008-09-19

    We investigate some implications of the freezing scenario proposed by Carpentier and Le Doussal (CLD) for a random energy model (REM) with logarithmically correlated random potential. We introduce a particular (circular) variant of the model, and show that the integer moments of the partition function in the high-temperature phase are given by the well-known Dyson Coulomb gas integrals. The CLD freezing scenario allows one to use those moments for extracting the distribution of the free energy in both high- and low-temperature phases. In particular, it yields the full distribution of the minimal value in the potential sequence. This provides an explicit new class of extreme-value statistics for strongly correlated variables, manifestly different from the standard Gumbel class. (fast track communication)

  4. Weak interaction potentials of nucleons in the Weinberg-Salam model

    International Nuclear Information System (INIS)

    Lobov, G.A.

    1979-01-01

    Weak interaction potentials of nucleons due to the nonet vector meson exchange are obtained in the Weinberg-Salam model using the vector-meson dominance. Contribution from the hadronic neutral currents to the weak interaction potential due to the charged pion exchange is obtained. The isotopic structure of the obtained potentials, that is unambiguous in the Weinberg-Salam model, is investigated. Enhancement of the nucleon weak interaction in nuclei resulting from the hadronic neutral currents is discussed. A nuclear one-particle weak interaction potential is presented that is a result of averaging of the two-particle potential over the states of the nuclear core. An approach to the nucleon weak interaction based on the quark model, is discussed. Effects of the nucleon weak interaction in the radiative capture of a thermal neutron by a proton, are considered

  5. Problems in the links between scattering data and interaction potentials

    International Nuclear Information System (INIS)

    Amos, K.

    1995-01-01

    The scattering function is of paramount importance in any approaches by which quantitative information on the interaction between colliding quantal systems of nuclear, atomic or molecular type, may be sought from measured, elastic scattering data. Therein there are two possible spectral parameters, the energy and the angular momentum. Most experimental results suggest use of fixed energy and variable angular momentum schemes. Such fixed energy data and their analyses are the subject of this report, with particular emphasis placed upon the problems of the link between data and the scattering function. 18 figs

  6. Problems in the links between scattering data and interaction potentials

    Energy Technology Data Exchange (ETDEWEB)

    Amos, K.

    1995-10-01

    The scattering function is of paramount importance in any approaches by which quantitative information on the interaction between colliding quantal systems of nuclear, atomic or molecular type, may be sought from measured, elastic scattering data. Therein there are two possible spectral parameters, the energy and the angular momentum. Most experimental results suggest use of fixed energy and variable angular momentum schemes. Such fixed energy data and their analyses are the subject of this report, with particular emphasis placed upon the problems of the link between data and the scattering function. 18 figs.

  7. MicroRNAs and potential target interactions in psoriasis

    DEFF Research Database (Denmark)

    Zibert, John Robert; Løvendorf, Marianne B.; Litman, Thomas

    2010-01-01

    BACKGROUND: Psoriasis is a chronic inflammatory skin disease often seen in patients with a genetic susceptibility. MicroRNAs (miRNA) are endogenous, short RNA molecules that can bind to parts of mRNA target genes, thus inhibiting their translation and causing accelerated turnover or transcript...... degradation. MicroRNAs are important in the pathogenesis of human diseases such as immunological disorders, as they regulate a broad range of biological processes. OBJECTIVE: We investigated miRNA-mRNA interactions in involved (PP) and non-involved (PN) psoriatic skin compared with healthy skin (NN). METHODS...

  8. Electrostatic potential profile and nonlinear current in an interacting ...

    Indian Academy of Sciences (India)

    Unknown

    Since the Poisson distribution crucially depends on charge densities ... formedon a large number of systems using semi-empirical to first-principles ... known by now that the current in these systems is a nonlinear function of the voltage and ..... the middle of the molecule and the potential drop is smaller near the interfaces.

  9. Objective correlate of subjective pain perception by contact heat-evoked potentials.

    Science.gov (United States)

    Granovsky, Yelena; Granot, Michal; Nir, Rony-Reuven; Yarnitsky, David

    2008-01-01

    The method of pain-evoked potentials has gained considerable acceptance over the last 3 decades regarding its objectivity, repeatability, and quantifiability. The present study explored whether the relationship between pain-evoked potentials and pain psychophysics obtained by contact heat stimuli is similar to those observed for the conventionally used laser stimulation. Evoked potentials (EPs) were recorded in response to contact heat stimuli at different body sites in 24 healthy volunteers. Stimuli at various temperatures were applied to the forearm (43 degrees C, 46 degrees C, 49 degrees C, and 52 degrees C) and leg (46 degrees C and 49 degrees C). The amplitudes of both components (N2 and P2) were strongly associated with the intensity of the applied stimuli and with subjective pain perception. Yet, regression analysis revealed pain perception and not stimulus intensity as the major contributing factor. A significant correlation was found between the forearm and the leg for both psychophysics and EPs amplitude. Contact heat can generate readily distinguishable evoked potentials on the scalp, consistent between upper and lower limbs. Although these potentials bear positive correlation with both stimulus intensity and pain magnitude, the latter is the main contributor to the evoked brain response.

  10. Comment on 'Asymptotic form of the Kohn-Sham correlation potential'

    International Nuclear Information System (INIS)

    Holas, A.

    2008-01-01

    For finite systems that have the energetically highest-occupied molecular orbital (HOMO) with an asymptotic nodal surface, Joubert demonstrated recently [Phys. Rev. A 76, 012501 (2007)] strongly anisotropic behavior (in the asymptotic large-r region) of the exact correlation potential of density-functional theory. As is shown by us, this result is a direct and simple consequence of the strong anisotropy of the exact exchange potential obtained by Della Sala and Goerling [Phys. Rev. Lett. 89, 033003 (2002); Della Sala and GoerlingJ. Chem. Phys. 116, 5374 (2002)] and the assumption about the asymptotic isotropy of the Kohn-Sham (KS) potential (based on the investigation of Almbladh and von Barth [Phys. Rev. B 31, 3231 (1985)] for atoms). Joubert's result remains a hypothesis only, because the last assumption is in contradiction with the asymptotic strong anisotropy of the KS potential for systems with asymptotic nodal surface of the HOMO, demonstrated by Wu, Ayers, and Yang [J. Chem. Phys. 119, 2978 (2003)]. The correlation potential in the asymptotic region, stemming from their results, is given

  11. Efficient construction of exchange and correlation potentials by inverting the Kohn-Sham equations.

    Science.gov (United States)

    Kananenka, Alexei A; Kohut, Sviataslau V; Gaiduk, Alex P; Ryabinkin, Ilya G; Staroverov, Viktor N

    2013-08-21

    Given a set of canonical Kohn-Sham orbitals, orbital energies, and an external potential for a many-electron system, one can invert the Kohn-Sham equations in a single step to obtain the corresponding exchange-correlation potential, vXC(r). For orbitals and orbital energies that are solutions of the Kohn-Sham equations with a multiplicative vXC(r) this procedure recovers vXC(r) (in the basis set limit), but for eigenfunctions of a non-multiplicative one-electron operator it produces an orbital-averaged potential. In particular, substitution of Hartree-Fock orbitals and eigenvalues into the Kohn-Sham inversion formula is a fast way to compute the Slater potential. In the same way, we efficiently construct orbital-averaged exchange and correlation potentials for hybrid and kinetic-energy-density-dependent functionals. We also show how the Kohn-Sham inversion approach can be used to compute functional derivatives of explicit density functionals and to approximate functional derivatives of orbital-dependent functionals.

  12. Current-current correlation function in presence of chemical potential and external magnetic field

    International Nuclear Information System (INIS)

    Apresyan, E.A.

    2017-01-01

    The (2+1)-dimensional electron system was observed, where relation between the Green functions and conductivity was used. The current-current correlation function Π_μ_ν(B) for the fermion system was calculated in presence of non-quantizing magnetic field B, chemical potential η and gap m. From this function it is possible to obtain the equation for polarization operator calculated without the magnetic field. The result is also applicable for graphene

  13. Interplay between short-range correlated disorder and Coulomb interaction in nodal-line semimetals

    Science.gov (United States)

    Wang, Yuxuan; Nandkishore, Rahul M.

    2017-09-01

    In nodal-line semimetals, Coulomb interactions and short-range correlated disorder are both marginal perturbations to the clean noninteracting Hamiltonian. We analyze their interplay using a weak-coupling renormalization group approach. In the clean case, the Coulomb interaction has been found to be marginally irrelevant, leading to Fermi liquid behavior. We extend the analysis to incorporate the effects of disorder. The nodal line structure gives rise to kinematical constraints similar to that for a two-dimensional Fermi surface, which plays a crucial role in the one-loop renormalization of the disorder couplings. For a twofold degenerate nodal loop (Weyl loop), we show that disorder flows to strong coupling along a unique fixed trajectory in the space of symmetry inequivalent disorder couplings. Along this fixed trajectory, all symmetry inequivalent disorder strengths become equal. For a fourfold degenerate nodal loop (Dirac loop), disorder also flows to strong coupling, however, the strengths of symmetry inequivalent disorder couplings remain different. We show that feedback from disorder reverses the sign of the beta function for the Coulomb interaction, causing the Coulomb interaction to flow to strong coupling as well. However, the Coulomb interaction flows to strong coupling asymptotically more slowly than disorder. Extrapolating our results to strong coupling, we conjecture that at low energies nodal line semimetals should be described by a noninteracting nonlinear sigma model. We discuss the relation of our results with possible many-body localization at zero temperatures in such materials.

  14. Binaural interaction in auditory evoked potentials: Brainstem, middle- and long-latency components

    OpenAIRE

    McPherson, DL; Starr, A

    1993-01-01

    Binaural interaction occurs in the auditory evoked potentials when the sum of the monaural auditory evoked potentials are not equivalent to the binaural evoked auditory potentials. Binaural interaction of the early- (0-10 ms), middle- (10-50 ms) and long-latency (50-200 ms) auditory evoked potentials was studied in 17 normal young adults. For the early components, binaural interaction was maximal at 7.35 ms accounting for a reduction of 21% of the amplitude of the binaural evoked potentials. ...

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

    International Nuclear Information System (INIS)

    Eich, F. G.; Hellgren, Maria

    2014-01-01

    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. NMR-based metabonomics and correlation analysis reveal potential biomarkers associated with chronic atrophic gastritis.

    Science.gov (United States)

    Cui, Jiajia; Liu, Yuetao; Hu, Yinghuan; Tong, Jiayu; Li, Aiping; Qu, Tingli; Qin, Xuemei; Du, Guanhua

    2017-01-05

    Chronic atrophic gastritis (CAG) is one of the most important pre-cancerous states with a high prevalence. Exploring of the underlying mechanism and potential biomarkers is of significant importance for CAG. In the present work, 1 H NMR-based metabonomics with correlative analysis was performed to analyze the metabolic features of CAG. 19 plasma metabolites and 18 urine metabolites were enrolled to construct the circulatory and excretory metabolome of CAG, which was in response to alterations of energy metabolism, inflammation, immune dysfunction, as well as oxidative stress. 7 plasma biomarkers and 7 urine biomarkers were screened to elucidate the pathogenesis of CAG based on the further correlation analysis with biochemical indexes. Finally, 3 plasma biomarkers (arginine, succinate and 3-hydroxybutyrate) and 2 urine biomarkers (α-ketoglutarate and valine) highlighted the potential to indicate risks of CAG in virtue of correlation with pepsin activity and ROC analysis. Here, our results paved a way for elucidating the underlying mechanisms in the development of CAG, and provided new avenues for the diagnosis of CAG and presented potential drug targets for treatment of CAG. Copyright © 2016 Elsevier B.V. All rights reserved.

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

    Science.gov (United States)

    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.

  18. Nucleon-nucleon interaction with quark exchange and prediction of the color van der Waals potential

    International Nuclear Information System (INIS)

    Osman, A.

    1988-01-01

    The nucleon-nucleon interaction is considered by including the color nucleon clusters. The nucleon-nucleon system is treated as a six-quark system. The obtained local potentials reduce the short-range repulsion. The resulting nucleon-nucleon potential, using a quark-quark potential, agress well with the central-force potentials. The phase shifts calculated by using these local potentials are in good agreement with those obtained from other methods. Introducing the quark-quark potential in the nucleon-nucleon interaction leads to a color van der Waals potential much stronger than that implied by experiments

  19. Nucleon-nucleon interaction with quark exchanges and prediction to colour van der Waals potential

    International Nuclear Information System (INIS)

    Osman, A.

    1985-11-01

    The nucleon-nucleon interaction is considered by including the colour nucleon clusters. The nucleon-nucleon system is treated as a six-quark system. The obtained local potentials reduce the short-range repulsion. The resulted nucleon-nucleon potential by using a quark-quark potential well agrees with the central-force potentials. The phase shifts calculated by using these local potentials are in good agreement with those obtained from other methods. Introducing the quark-quark potential in the nucleon-nucleon interaction, leads to a colour van der Waals potential very strong compared with that predicted by experiments. (author)

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

    Directory of Open Access Journals (Sweden)

    Gleiber Couto Santos

    2015-12-01

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

  1. Separable-potential model for the pion--nucleon interaction

    International Nuclear Information System (INIS)

    Nutt, W.T.

    1976-01-01

    A separable potential which fits the low and intermediate π-N scattering is proposed which is more convenient for application than those separable models which use Regge parameterizations of the very high energy phase shifts. The form factors for this model are equal to zero for momenta q greater than 1 GeV/c, and are expected to provide more reasonable off-shell behavior than the form factors obtained from those models based on the Regge extrapolation

  2. The exchange of correlated pions and kaons in the baryon-baryon interaction

    International Nuclear Information System (INIS)

    Reuber, A.G.

    1995-09-01

    The exchange of two correlated pions or kaons provides the main part of the intermediate-range attraction between two baryons. In this work, a dynamical model for correlated two-pion and two-kaon exchange in the baryon-baryon interaction is presented, both in the scalar-isoscalar (σ) and the vector-isovector (ρ) channel. The contribution of correlated ππ and K anti K exchange is derived from the amplitudes for the transition of a baryon-antibaryon state (B anti B') to a ππ or K anti K state in the pseudophysical region by applying dispersion theory and unitarity. For the B anti B'→ππ, K anti K amplitudes a microscopic model is constructed, which is based on the hadron-exchange picture. The Born terms include contributions from baryon-exchange as well as ρ-pole diagrams. The correlations between the two pseudoscalar mesons are taken into account exactly by means of ππ-K anti K amplitudes derived likewise from a meson-exchange model, which is in line with the empirical ππ data. The parameters of the B anti B'→ππ, K anti K model, which are related to each other by the assumption of SU(3) symmetry, are determined by the adjustment to the quasiempirical N anti N→ππ amplitudes in the pseudophysical region. It is found that correlated K anti K exchange being negligible in the NN interaction plays an important role in the σ-channel for baryon-baryon states with non-vanishing strangeness. The strength of correlated ππ plus K anti K exchange in the σ-channel decreases with the strangeness of the baryon-baryon system becoming more negative. Due to the admixture of baryon-exchange processes to the SU(3)-symmetric ρ-pole contributions the results for correlated ππ-exchange in the vector-isovector channel deviate from what is expected in the naive SU(3) picture for genuine ρ-exchange. (orig.)

  3. Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore Model.

    Science.gov (United States)

    Gozem, Samer; Huntress, Mark; Schapiro, Igor; Lindh, Roland; Granovsky, Alexander A; Angeli, Celestino; Olivucci, Massimo

    2012-11-13

    The ground state potential energy surface of the retinal chromophore of visual pigments (e.g., bovine rhodopsin) features a low-lying conical intersection surrounded by regions with variable charge-transfer and diradical electronic structures. This implies that dynamic electron correlation may have a large effect on the shape of the force fields driving its reactivity. To investigate this effect, we focus on mapping the potential energy for three paths located along the ground state CASSCF potential energy surface of the penta-2,4-dieniminium cation taken as a minimal model of the retinal chromophore. The first path spans the bond length alternation coordinate and intercepts a conical intersection point. The other two are minimum energy paths along two distinct but kinetically competitive thermal isomerization coordinates. We show that the effect of introducing the missing dynamic electron correlation variationally (with MRCISD) and perturbatively (with the CASPT2, NEVPT2, and XMCQDPT2 methods) leads, invariably, to a stabilization of the regions with charge transfer character and to a significant reshaping of the reference CASSCF potential energy surface and suggesting a change in the dominating isomerization mechanism. The possible impact of such a correction on the photoisomerization of the retinal chromophore is discussed.

  4. Majorana zero modes and long range edge correlation in interacting Kitaev chains: analytic solutions and density-matrix-renormalization-group study.

    Science.gov (United States)

    Miao, Jian-Jian; Jin, Hui-Ke; Zhang, Fu-Chun; Zhou, Yi

    2018-01-11

    We study Kitaev model in one-dimension with open boundary condition by using exact analytic methods for non-interacting system at zero chemical potential as well as in the symmetric case of Δ = t, and by using density-matrix-renormalization-group method for interacting system with nearest neighbor repulsion interaction. We suggest and examine an edge correlation function of Majorana fermions to characterize the long range order in the topological superconducting states and study the phase diagram of the interating Kitaev chain.

  5. Electron-muon correlation as a new probe of strongly interacting quark-gluon plasma

    International Nuclear Information System (INIS)

    Akamatsu, Yukinao; Hatsuda, Tetsuo; Hirano, Tetsufumi

    2009-01-01

    As a new and clean probe to the strongly interacting quark-gluon plasma (sQGP), we propose an azimuthal correlation of an electron and a muon that originate from the semileptonic decay of charm and bottom quarks. By solving the Langevin equation for the heavy quarks under the hydrodynamic evolution of the hot plasma, we show that substantial quenching of the away-side peak in the electron-muon correlation can be seen if the sQGP drag force acting on heavy quarks is large enough as suggested from the gauge/gravity correspondence. The effect could be detected in high-energy heavy ion collisions at the Relativistic Heavy Ion Collider and the Large Hadron Collider.

  6. Comparison of permutationally invariant polynomials, neural networks, and Gaussian approximation potentials in representing water interactions through many-body expansions

    Science.gov (United States)

    Nguyen, Thuong T.; Székely, Eszter; Imbalzano, Giulio; Behler, Jörg; Csányi, Gábor; Ceriotti, Michele; Götz, Andreas W.; Paesani, Francesco

    2018-06-01

    The accurate representation of multidimensional potential energy surfaces is a necessary requirement for realistic computer simulations of molecular systems. The continued increase in computer power accompanied by advances in correlated electronic structure methods nowadays enables routine calculations of accurate interaction energies for small systems, which can then be used as references for the development of analytical potential energy functions (PEFs) rigorously derived from many-body (MB) expansions. Building on the accuracy of the MB-pol many-body PEF, we investigate here the performance of permutationally invariant polynomials (PIPs), neural networks, and Gaussian approximation potentials (GAPs) in representing water two-body and three-body interaction energies, denoting the resulting potentials PIP-MB-pol, Behler-Parrinello neural network-MB-pol, and GAP-MB-pol, respectively. Our analysis shows that all three analytical representations exhibit similar levels of accuracy in reproducing both two-body and three-body reference data as well as interaction energies of small water clusters obtained from calculations carried out at the coupled cluster level of theory, the current gold standard for chemical accuracy. These results demonstrate the synergy between interatomic potentials formulated in terms of a many-body expansion, such as MB-pol, that are physically sound and transferable, and machine-learning techniques that provide a flexible framework to approximate the short-range interaction energy terms.

  7. Dependence of Coulomb Sum Rule on the Short Range Correlation by Using Av18 Potential

    Science.gov (United States)

    Modarres, M.; Moeini, H.; Moshfegh, H. R.

    The Coulomb sum rule (CSR) and structure factor are calculated for inelastic electron scattering from nuclear matter at zero and finite temperature in the nonrelativistic limit. The effect of short-range correlation (SRC) is presented by using lowest order constrained variational (LOCV) method and the Argonne Av18 and Δ-Reid soft-core potentials. The effects of different potentials as well as temperature are investigated. It is found that the nonrelativistic version of Bjorken scaling approximately sets in at the momentum transfer of about 1.1 to 1.2 GeV/c and the increase of temperature makes it to decrease. While different potentials do not significantly change CSR, the SRC improves the Coulomb sum rule and we get reasonably close results to both experimental data and others theoretical predictions.

  8. Brain correlates of recognition of communicative interactions from biological motion in schizophrenia.

    Science.gov (United States)

    Okruszek, Ł; Wordecha, M; Jarkiewicz, M; Kossowski, B; Lee, J; Marchewka, A

    2017-11-27

    Recognition of communicative interactions is a complex social cognitive ability which is associated with a specific neural activity in healthy individuals. However, neural correlates of communicative interaction processing from whole-body motion have not been known in patients with schizophrenia (SCZ). Therefore, the current study aims to examine the neural activity associated with recognition of communicative interactions in SCZ by using displays of the dyadic interactions downgraded to minimalistic point-light presentations. Twenty-six healthy controls (HC) and 25 SCZ were asked to judge whether two agents presented only by point-light displays were communicating or acting independently. Task-related activity and functional connectivity of brain structures were examined with General Linear Model and Generalized Psychophysiological Interaction approach, respectively. HC were significantly more efficient in recognizing each type of action than SCZ. At the neural level, the activity of the right posterior superior temporal sulcus (pSTS) was observed to be higher in HC compared with SCZ for communicative v. individual action processing. Importantly, increased connectivity of the right pSTS with structures associated with mentalizing (left pSTS) and mirroring networks (left frontal areas) was observed in HC, but not in SCZ, during the presentation of social interactions. Under-recruitment of the right pSTS, a structure known to have a pivotal role in social processing, may also be of importance for higher-order social cognitive deficits in SCZ. Furthermore, decreased task-related connectivity of the right pSTS may result in reduced use of additional sources of information (for instance motor resonance signals) during social cognitive processing in schizophrenia.

  9. Investigation of hyperfine interactions in DNA nitrogenous bases using perturbed angular correlation spectroscopy

    International Nuclear Information System (INIS)

    Silva, Andreia dos Santos; Carbonari, Artur Wilson; Lapolli, Andre Luis; Saxena, Rajendra Narain; Saitovitch, Henrique

    2013-01-01

    Perturbed γγ angular correlations (PAC) spectroscopy has been used to study the DNA nitrogenous bases (adenine, cytosine, guanine, thymine), using 111 In→ 111 Cd and 111m Cd→ 111 Cd probe nuclei. One of the advantages of applying PAC technique to biological molecules is that the experiments can be carried out on molecules in aqueous solution [1], approaching the function of molecules under conditions that are close to in vivo conditions. The measurements were carried out for DNA nitrogenous bases molecules at 295 K and 77 K in order to investigate dynamic and static hyperfine interactions, respectively. The interpretation of the results was based on the measurements of dynamic interaction characterized by the decay constant from which valuable information on the macroscopic behavior of the molecules was obtained [2; 3]. On the other hand, PAC measurements at low temperature showed interaction frequency (ν Q ), asymmetry parameter (η) and the distribution of the quadrupole frequency (δ). These parameters provide a local microscopic description of the chemical environment in the neighborhood of the probe nuclei. Results showed differences in the hyperfine interactions of probe nuclei bound to the studied biomolecules. Such differences were observed by variations in the hyperfine parameters, which depended on the type of biomolecule and the results also showed that the probe nuclei bounded at the molecules in some cases and at others did not. (author)

  10. Study of hyperfine interactions in V2O3 by angular correlation

    International Nuclear Information System (INIS)

    Jesus Silva, P.R. de.

    1985-01-01

    The hyperfine interaction in v 2 O 3 in function of temperature by measurements of time differential perturbed angular correlation is studied. The samples presented quadrupole interaction in the probe center, Cd 111 immediatelly after sintering, when reduced in H 2 flux at 800 0 C. A pure electric quadrupole interaction at the metallic phase and a combined interaction of magnetic dipole and electric quadrupole at the insulating antiferromagnetic phase, were observed. The electric field gradient undergoes abrupt variation at the metal-insulating transition at T=160 0 K from 8.2x10 17 v/cm 2 at the insulating phase to 6.3x10 17 v/cm 2 in the metallic phase, however varies smoothly with the temperature at T=450 0 K when variations in resistivity also occur. At metallic phase the electric field increases with the temperature enhacement. The hyperfine magnetic field of Cd 111 at antiferromagnetic phase of V 2 O 3 has a saturation value of 15(1) KOe and performes an angle of β=68(2) 0 with the main component direction of electric field gradient. (M.C.K.) [pt

  11. Colloids exposed to random potential energy landscapes: From particle number density to particle-potential and particle-particle interactions

    International Nuclear Information System (INIS)

    Bewerunge, Jörg; Capellmann, Ronja F.; Platten, Florian; Egelhaaf, Stefan U.; Sengupta, Ankush; Sengupta, Surajit

    2016-01-01

    Colloidal particles were exposed to a random potential energy landscape that has been created optically via a speckle pattern. The mean particle density as well as the potential roughness, i.e., the disorder strength, were varied. The local probability density of the particles as well as its main characteristics were determined. For the first time, the disorder-averaged pair density correlation function g (1) (r) and an analogue of the Edwards-Anderson order parameter g (2) (r), which quantifies the correlation of the mean local density among disorder realisations, were measured experimentally and shown to be consistent with replica liquid state theory results.

  12. Highly functionalized piperidines: Free radical scavenging, anticancer activity, DNA interaction and correlation with biological activity

    OpenAIRE

    Suvankar Das; Cristiane J. da Silva; Marina de M. Silva; Maria Dayanne de A. Dantas; Ângelo de Fátima; Ana Lúcia T. Góis Ruiz; Cleiton M. da Silva; João Ernesto de Carvalho; Josué C.C. Santos; Isis M. Figueiredo; Edeildo F. da Silva-Júnior; Thiago M. de Aquino; João X. de Araújo-Júnior; Goutam Brahmachari; Luzia Valentina Modolo

    2018-01-01

    Twenty-five piperidines were studied as potential radical scavengers and antitumor agents. Quantitative interaction of compounds with ctDNA using spectroscopic techniques was also evaluated. Our results demonstrate that the evaluated piperidines possesses different abilities to scavenge the radical 2,2-diphenyl-1-picrylhydrazyl (DPPH) and the anion radical superoxide (·O2−). The piperidine 19 was the most potent radical DPPH scavenger, while the most effective to ·O2− scavenger was piperidine...

  13. Correlation between event-related potentials and MR measurements in chronic alcoholic patients

    International Nuclear Information System (INIS)

    Kaseda, Yumiko; Miyazato, Yoshikazu; Ogura, Chikara; Nakamoto, Haruo; Uema, Takeshi; Yamamoto, Kazuyoshi; Ohta, Ikuya

    1994-01-01

    Event-related potentials were recorded in 25 abstinent alcoholics, and 25 gender- and age-matched controls during a two-tone discrimination (odd ball) task. All the subjects were free from medication and dextral. MR images were examined in the alcoholics. The amplitudes of N100, N200 and P300 in the alcoholics were reduced compared with those of the controls. In order to identify morphological changes responsible for ERP abnormalities, linear regression analyses were performed between ERP measures and MRI parameters. The amplitude of N100 was inversely correlated with ventricular size. The amplitudes of P300 were inversely correlated with both ventricular size and width of cortical sulci. It was suggested that the N100 abnormality was related to subcortical structure, and P300 alteration was related to both subcortical and cortical structures in the alcoholics. (author)

  14. Parity-violating internucleon potential and strong-interaction enhancement

    International Nuclear Information System (INIS)

    Donoghue, J.F.

    1976-01-01

    The NNπ and NNV vertices that enter the parity-violating internucleon potential are calculated in the Cabibbo and Weinberg-Salam models, using a mechanism whereby octet enhancement results from the short-distance behavior of the current-current product. A quark model is used to calculate the NNπ vertex, and for the NNV vertices, a modified factorization approach is proposed. The Cabibbo NNπ vertex is estimated to be an order of magnitude smaller than previous calculations had indicated and arguments against the previous method are given. In the Weinberg model the NNπ vertex is A (N 0 /sub -/) = 1.3 sin 2 theta/subW/A (Λ 0 /sub -/), with only neutral currents contributing. In both models the NNV vertices with only neutral currents contributing. In both models the NNV vertices, however, reasonable values of the enhancement parameters are not expected to be large enough to explain by themselves the large circular polarization measured in n + p → d+γ

  15. Approximating the Shifted Hartree-Exchange-Correlation Potential in Direct Energy Kohn-Sham Theory.

    Science.gov (United States)

    Sharpe, Daniel J; Levy, Mel; Tozer, David J

    2018-02-13

    Levy and Zahariev [Phys. Rev. Lett. 113 113002 (2014)] have proposed a new approach for performing density functional theory calculations, termed direct energy Kohn-Sham (DEKS) theory. In this approach, the electronic energy equals the sum of orbital energies, obtained from Kohn-Sham-like orbital equations involving a shifted Hartree-exchange-correlation potential, which must be approximated. In the present study, density scaling homogeneity considerations are used to facilitate DEKS calculations on a series of atoms and molecules, leading to three nonlocal approximations to the shifted potential. The first two rely on preliminary Kohn-Sham calculations using a standard generalized gradient approximation (GGA) exchange-correlation functional and the results illustrate the benefit of describing the dominant Hartree component of the shift exactly. A uniform electron gas analysis is used to eliminate the need for these preliminary Kohn-Sham calculations, leading to a potential with an unconventional form that yields encouraging results, providing strong motivation for further research in DEKS theory.

  16. Correlation between crystallization behaviour and interfacial interactions in plasticized PLA/POSS nanocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Kodal, Mehmet, E-mail: mehmet.kodal@kocaeli.edu.tr; Şirin, Hümeyra; Özkoç, Güralp, E-mail: guralp.ozkoc@kocaeli.edu.tr [Department of Chemical Engineering, Kocaeli University, 41380, Kocaeli Turkey (Turkey)

    2016-03-09

    In this study, the correlation between crystallization behavior and surface chemistry of polyhedral oligomeric silsesquioxanes (POSS) for plasticized poly(lactic acid) (PLA)/POSS nanocomposites was investigated. Four different kinds of POSS particles having different chemical structures were used. Poly(ethylene glycol) (PEG, 8000 g/mol) was utilized as the plasticiser. The nanocomposites were melt-compounded in an Xplore Instruments 15 cc twin screw microcompounder at 180°C barrel temperature and 100 rpm screw speed. Non-isothermal crystallization behaviour of PLA/PEG/POSS nanocomposites were evaluated from common kinetic models such as Avrami and Avrami-Ozawa and Kissinger by using the thermal data obtained from differantial scanning calorimetry (DSC). A polarized optical microscope (POM) equipped with a hot-stage was used to examine the morphology during the crystal growth. In order to investigate the interfacial interactions between POSS particles and plasticized PLA, thermodynamic work of adhesion approach was adopted using the experimentally determined surface energies. A strong correlation was obtained between interfacial chemistry and the nucleation rate in plasticized PLA/POSS nanocomposites. It was found that the polar interactions were the dominating factor which determines the nucleation activity of the POSS particles.

  17. Correlation between crystallization behaviour and interfacial interactions in plasticized PLA/POSS nanocomposites

    International Nuclear Information System (INIS)

    Kodal, Mehmet; Şirin, Hümeyra; Özkoç, Güralp

    2016-01-01

    In this study, the correlation between crystallization behavior and surface chemistry of polyhedral oligomeric silsesquioxanes (POSS) for plasticized poly(lactic acid) (PLA)/POSS nanocomposites was investigated. Four different kinds of POSS particles having different chemical structures were used. Poly(ethylene glycol) (PEG, 8000 g/mol) was utilized as the plasticiser. The nanocomposites were melt-compounded in an Xplore Instruments 15 cc twin screw microcompounder at 180°C barrel temperature and 100 rpm screw speed. Non-isothermal crystallization behaviour of PLA/PEG/POSS nanocomposites were evaluated from common kinetic models such as Avrami and Avrami-Ozawa and Kissinger by using the thermal data obtained from differantial scanning calorimetry (DSC). A polarized optical microscope (POM) equipped with a hot-stage was used to examine the morphology during the crystal growth. In order to investigate the interfacial interactions between POSS particles and plasticized PLA, thermodynamic work of adhesion approach was adopted using the experimentally determined surface energies. A strong correlation was obtained between interfacial chemistry and the nucleation rate in plasticized PLA/POSS nanocomposites. It was found that the polar interactions were the dominating factor which determines the nucleation activity of the POSS particles.

  18. Calculation of parameters of the interaction potential between excited alkali atoms and mercury atoms: The Cs*, Pr*-Hg interaction

    International Nuclear Information System (INIS)

    Glushkov, A.V.

    1994-01-01

    Based on the method of effective potential involving the new polarization interaction potential calculated from polarization diagrams of the perturbation theory in the Thomas-Fermi approximation, the main parameters of the interatomic potentials (equilibrium distances, potential well depth) are evaluated for a system consisting of an alkali atom in the ground and excited states and of a mercury atom. The results of calculations of quasi-molecular terms for the A-Hg system, where A = Na, Cs, Fr, are reported, some of which are obtained for the first time. A comparison is made with available experimental and theoretical data. 29 refs., 2 figs., 1 tab

  19. Exact Time-Dependent Exchange-Correlation Potential in Electron Scattering Processes

    Science.gov (United States)

    Suzuki, Yasumitsu; Lacombe, Lionel; Watanabe, Kazuyuki; Maitra, Neepa T.

    2017-12-01

    We identify peak and valley structures in the exact exchange-correlation potential of time-dependent density functional theory that are crucial for time-resolved electron scattering in a model one-dimensional system. These structures are completely missed by adiabatic approximations that, consequently, significantly underestimate the scattering probability. A recently proposed nonadiabatic approximation is shown to correctly capture the approach of the electron to the target when the initial Kohn-Sham state is chosen judiciously, and it is more accurate than standard adiabatic functionals but ultimately fails to accurately capture reflection. These results may explain the underestimation of scattering probabilities in some recent studies on molecules and surfaces.

  20. A heat transfer correlation based on a surface renewal model for molten core concrete interaction study

    International Nuclear Information System (INIS)

    Tourniaire, B. . E-mail bruno.tourniaire@cea.fr

    2006-01-01

    The prediction of heat transfer between corium pool and concrete basemat is of particular significance in the framework of the study of PWR's severe accident. Heat transfer directly governs the ablation velocity of concrete in case of molten core concrete interaction (MCCI) and, consequently, the time delay when the reactor cavity may fail. From a restricted hydrodynamic point of view, this issue is related to heat transfer between a heated bubbling pool and a porous wall with gas injection. Several experimental studies have been performed with simulant materials and many correlations have been provided to address this issue. The comparisons of the results of these correlations with the measurements and their extrapolation to reactor materials show that strong discrepancies between the results of these models are obtained which probably means that some phenomena are not well taken into account. The main purpose of this paper is to present an alternative heat transfer model which was originally developed for chemical engineering applications (bubble columns) by Deckwer. A part of this work is devoted to the presentation of this model, which is based on a surface renewal assumption. Comparison of the results of this model with available experimental data in different systems are presented and discussed. These comparisons clearly show that this model can be used to deal with the particular problem of MCCI. The analyses also lead to enrich the original model by taking into account the thermal resistance of the wall: a new formulation of the Deckwer's correlation is finally proposed

  1. Canonical correlation analysis of synchronous neural interactions and cognitive deficits in Alzheimer's dementia

    Science.gov (United States)

    Karageorgiou, Elissaios; Lewis, Scott M.; Riley McCarten, J.; Leuthold, Arthur C.; Hemmy, Laura S.; McPherson, Susan E.; Rottunda, Susan J.; Rubins, David M.; Georgopoulos, Apostolos P.

    2012-10-01

    In previous work (Georgopoulos et al 2007 J. Neural Eng. 4 349-55) we reported on the use of magnetoencephalographic (MEG) synchronous neural interactions (SNI) as a functional biomarker in Alzheimer's dementia (AD) diagnosis. Here we report on the application of canonical correlation analysis to investigate the relations between SNI and cognitive neuropsychological (NP) domains in AD patients. First, we performed individual correlations between each SNI and each NP, which provided an initial link between SNI and specific cognitive tests. Next, we performed factor analysis on each set, followed by a canonical correlation analysis between the derived SNI and NP factors. This last analysis optimally associated the entire MEG signal with cognitive function. The results revealed that SNI as a whole were mostly associated with memory and language, and, slightly less, executive function, processing speed and visuospatial abilities, thus differentiating functions subserved by the frontoparietal and the temporal cortices. These findings provide a direct interpretation of the information carried by the SNI and set the basis for identifying specific neural disease phenotypes according to cognitive deficits.

  2. Characterization and Correlation of Particle-Level Interactions to the Macroscopic Rheology of Powders, Granular Slurries, and Colloidal Suspensions

    Energy Technology Data Exchange (ETDEWEB)

    A.P. Poloski; R.C. Daniel; D.R. Rector; P.R. Bredt; E.C. Buck; Berg, J.C.; Saez, A.E.

    2006-09-29

    This project had two primary objectives. The first was to understand the physical properties and behavior of select Hanford tank sludges under conditions that might exist during retrieval, treatment, packaging, and transportation for disposal at the Waste Isolation Pilot Plant (WIPP). The second objective was to develop a fundamental understanding of these sludge suspensions by correlating the macroscopic properties with particle interactions occurring at the colloidal scale. The specific tank wastes considered herein are contained in thirteen Hanford tanks including three double-shell tanks (DSTs) (AW-103, AW-105, and SY-102) and ten single-shell tanks (SSTs) (B-201 through B-204, T-201 through T-204, T-110, and T-111). At the outset of the project, these tanks were designated as potentially containing transuranic (TRU) process wastes that would be treated and disposed of in a manner different from the majority of the tank wastes.

  3. Wave-Particle Interactions Involving Correlated Electron Bursts and Whistler Chorus in Earth's Radiation Belts

    Science.gov (United States)

    Echterling, N.; Schriver, D.; Roeder, J. L.; Fennell, J. F.

    2017-12-01

    During the recovery phase of substorm plasma injections, the Van Allen Probes commonly observe events of quasi-periodic energetic electron bursts correlating with simultaneously detected upper-band, whistler-mode chorus emissions. These electron bursts exhibit narrow ranges of pitch angles (75-80° and 100-105°) and energies (20-40 keV). Electron cyclotron harmonic (ECH) emissions are also commonly detected, but typically do not display correlation with the electron bursts. To examine sources of free energy and the generation of these wave emissions, an observed electron velocity distribution on January 13, 2013 is used as the starting condition for a particle in cell (PIC) simulation. Effects of temperature anisotropy (perpendicular temperature greater than parallel temperature), the presence of a loss cone and a cold electron population on the generation of whistler and ECH waves are examined to understand wave generation and nonlinear interactions with the particle population. These nonlinear interactions produce energy diffusion along with strong pitch angle scattering into the loss cone on the order of milliseconds, which is faster than a typical bounce period of seconds. To examine the quasi-periodic nature of the electron bursts, a loss-cone recycling technique is implemented to model the effects of the periodic emptying of the loss cone and electron injection on the growth of whistler and ECH waves. The results of the simulations are compared to the Van Allen Probe observations to determine electron acceleration, heating and transport in Earth's radiation belts due to wave-particle interactions.

  4. Diffusion and superdiffusion of a particle in a random potential with finite correlation time

    International Nuclear Information System (INIS)

    Lebedev, N.; Maass, P.; Feng, S.

    1995-01-01

    We study theoretically the long time asymptotic of a quantum particle moving in a random time-dependent potential with finite correlation time, in d=1. By applying a new unitary numerical scheme we first show the minor importance of quantum interference and then derive an effective Langevin-type equation for the corresponding clasical problem in the limit of weak potential. We find that on intermediate time scales E kin (t)∼t 2/5 , while the true long time asymptotic is determined by a new friction term, which gives rise to a stationary power law velocity distribution, multifractality of the velocity moments, and a slowing down of the superdiffusive behavior

  5. Deterministic alternatives to the full configuration interaction quantum Monte Carlo method for strongly correlated systems

    Science.gov (United States)

    Tubman, Norm; Whaley, Birgitta

    The development of exponential scaling methods has seen great progress in tackling larger systems than previously thought possible. One such technique, full configuration interaction quantum Monte Carlo, allows exact diagonalization through stochastically sampling of determinants. The method derives its utility from the information in the matrix elements of the Hamiltonian, together with a stochastic projected wave function, which are used to explore the important parts of Hilbert space. However, a stochastic representation of the wave function is not required to search Hilbert space efficiently and new deterministic approaches have recently been shown to efficiently find the important parts of determinant space. We shall discuss the technique of Adaptive Sampling Configuration Interaction (ASCI) and the related heat-bath Configuration Interaction approach for ground state and excited state simulations. We will present several applications for strongly correlated Hamiltonians. This work was supported through the Scientific Discovery through Advanced Computing (SciDAC) program funded by the U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences.

  6. Differential Interaction of Synthetic Glycolipids with Biomimetic Plasma Membrane Lipids Correlates with the Plant Biological Response.

    Science.gov (United States)

    Nasir, Mehmet Nail; Lins, Laurence; Crowet, Jean-Marc; Ongena, Marc; Dorey, Stephan; Dhondt-Cordelier, Sandrine; Clément, Christophe; Bouquillon, Sandrine; Haudrechy, Arnaud; Sarazin, Catherine; Fauconnier, Marie-Laure; Nott, Katherine; Deleu, Magali

    2017-09-26

    Natural and synthetic amphiphilic molecules including lipopeptides, lipopolysaccharides, and glycolipids are able to induce defense mechanisms in plants. In the present work, the perception of two synthetic C14 rhamnolipids, namely, Alk-RL and Ac-RL, differing only at the level of the lipid tail terminal group have been investigated using biological and biophysical approaches. We showed that Alk-RL induces a stronger early signaling response in tobacco cell suspensions than does Ac-RL. The interactions of both synthetic RLs with simplified biomimetic membranes were further analyzed using experimental and in silico approaches. Our results indicate that the interactions of Alk-RL and Ac-RL with lipids were different in terms of insertion and molecular responses and were dependent on the lipid composition of model membranes. A more favorable insertion of Alk-RL than Ac-RL into lipid membranes is observed. Alk-RL forms more stable molecular assemblies than Ac-RL with phospholipids and sterols. At the molecular level, the presence of sterols tends to increase the RLs' interaction with lipid bilayers, with a fluidizing effect on the alkyl chains. Taken together, our findings suggest that the perception of these synthetic RLs at the membrane level could be related to a lipid-driven process depending on the organization of the membrane and the orientation of the RLs within the membrane and is correlated with the induction of early signaling responses in tobacco cells.

  7. Statistical analysis of simulation calculation of sputtering for two interaction potentials

    International Nuclear Information System (INIS)

    Shao Qiyun

    1992-01-01

    The effects of the interaction potentials (Moliere potential and Universal potential) are presented on computer simulation results of sputtering via Monte Carlo simulation based on the binary collision approximation. By means of Wilcoxon two-Sample paired sign rank test, the statistically significant difference for the above results is obtained

  8. Correlating electronic structure with corrosion inhibition potentiality of some bis-benzimidazole derivatives for mild steel in hydrochloric acid: Combined experimental and theoretical studies

    International Nuclear Information System (INIS)

    Dutta, Alokdut; Saha, Sourav Kr.; Banerjee, Priyabrata; Sukul, Dipankar

    2015-01-01

    Highlights: • Bis-benzimidazole derivatives as good corrosion inhibitors for mild steel in acid. • Simultaneous both way electron-transfer is expected to occur during adsorption. • Role of molecular conformation on inhibition efficiency is demonstrated. • Good correlation between inhibition efficiency and molecular parameters established. • MD simulation results support experimental observations. - Abstract: Four different bis-benzimidazole (BBI) derivatives, tested as potential corrosion inhibitors for mild steel in 1 M HCl, have revealed good inhibition efficiency for long period of exposure. Inhibitors impart high resistance towards charge transfer across metal–electrolyte interface and behave broadly as mixed type. DFT calculations are used to correlate inhibition potentiality with intrinsic molecular parameters. From the optimized geometry of BBI derivatives, electron distribution in HOMO and LUMO and Fukui indices of each atom, possible modes of interaction of BBI derivatives with mild steel surface have been predicted. Energy corresponding to inhibitor-metal surface interaction is evaluated following molecular dynamics simulation

  9. Investigating potential correlations between jet engine noise and plume dynamics in the hypertemporal infrared domain

    Science.gov (United States)

    Cunio, Phillip M.; Weber, Reed; Knobel, Kimberly; Wager, Jason; Lopez, Gerardo

    2014-09-01

    Jet engine noise can be a hazard and environmental pollutant, affecting personnel working in close proximity to jet engines. Mitigating the effects of jet engine noise could reduce the potential for hearing loss in runway workers, but engine noise is not yet sufficiently well-characterized that it can easily be mitigated for new engine designs. That is, there exists a very complex relationship between jet engine design parameters, operating conditions, and resultant noise power levels. In this paper, we propose to evaluate the utility of high-speed imaging (also called hypertemporal imaging) in correlating the infrared signatures of jet aircraft engines with acoustic noise from the jet engines. This paper will focus on a theoretical analysis of jet engine infrared signatures, and will define potentially-detectable characteristics of such signatures in the hypertemporal domain. A systematic test campaign to determine whether such signatures actually exist and can be correlated with acoustic jet engine characteristics will be proposed. The detection of any hypertemporal signatures in association with acoustic signatures of jet engines will enable the use of a new domain in characterizing jet engine noise. This may in turn enable new methods of predicting or mitigating jet engine noise, which could lead to benefits for operators of large numbers of jet engines.

  10. Potential for a biogenic influence on cloud microphysics over the ocean: a correlation study with satellite-derived data

    Directory of Open Access Journals (Sweden)

    A. Lana

    2012-09-01

    Full Text Available Aerosols have a large potential to influence climate through their effects on the microphysics and optical properties of clouds and, hence, on the Earth's radiation budget. Aerosol–cloud interactions have been intensively studied in polluted air, but the possibility that the marine biosphere plays an important role in regulating cloud brightness in the pristine oceanic atmosphere remains largely unexplored. We used 9 yr of global satellite data and ocean climatologies to derive parameterizations of the temporal variability of (a production fluxes of sulfur aerosols formed by the oxidation of the biogenic gas dimethylsulfide emitted from the sea surface; (b production fluxes of secondary organic aerosols from biogenic organic volatiles; (c emission fluxes of biogenic primary organic aerosols ejected by wind action on sea surface; and (d emission fluxes of sea salt also lifted by the wind upon bubble bursting. Series of global monthly estimates of these fluxes were correlated to series of potential cloud condensation nuclei (CCN numbers derived from satellite (MODIS. More detailed comparisons among weekly series of estimated fluxes and satellite-derived cloud droplet effective radius (re data were conducted at locations spread among polluted and clean regions of the oceanic atmosphere. The outcome of the statistical analysis was that positive correlation to CCN numbers and negative correlation to re were common at mid and high latitude for sulfur and organic secondary aerosols, indicating both might be important in seeding cloud droplet activation. Conversely, primary aerosols (organic and sea salt showed widespread positive correlations to CCN only at low latitudes. Correlations to re were more variable, non-significant or positive, suggesting that, despite contributing to large shares of the marine aerosol mass, primary aerosols are not widespread major drivers of the variability of cloud

  11. The negative ultraslow potential, electrophysiological correlate of infarction in the human cortex.

    Science.gov (United States)

    Lückl, Janos; Lemale, Coline L; Kola, Vasilis; Horst, Viktor; Khojasteh, Uldus; Oliveira-Ferreira, Ana I; Major, Sebastian; Winkler, Maren K L; Kang, Eun-Jeung; Schoknecht, Karl; Martus, Peter; Hartings, Jed A; Woitzik, Johannes; Dreier, Jens P

    2018-06-01

    Spreading depolarizations are characterized by abrupt, near-complete breakdown of the transmembrane ion gradients, neuronal oedema, mitochondrial depolarization, glutamate excitotoxicity and activity loss (depression). Spreading depolarization induces either transient hyperperfusion in normal tissue; or hypoperfusion (inverse coupling = spreading ischaemia) in tissue at risk for progressive injury. The concept of the spreading depolarization continuum is critical since many spreading depolarizations have intermediate characteristics, as opposed to the two extremes of spreading depolarization in either severely ischaemic or normal tissue. In animals, the spreading depolarization extreme in ischaemic tissue is characterized by prolonged depolarization durations, in addition to a slow baseline variation termed the negative ultraslow potential. The negative ultraslow potential is initiated by spreading depolarization and similar to the negative direct current (DC) shift of prolonged spreading depolarization, but specifically refers to a negative potential component during progressive recruitment of neurons into cell death in the wake of spreading depolarization. We here first quantified the spreading depolarization-initiated negative ultraslow potential in the electrocorticographic DC range and the activity depression in the alternate current range after middle cerebral artery occlusion in rats. Relevance of these variables to the injury was supported by significant correlations with the cortical infarct volume and neurological outcome after 72 h of survival. We then identified negative ultraslow potential-containing clusters of spreading depolarizations in 11 patients with aneurysmal subarachnoid haemorrhage. The human platinum/iridium-recorded negative ultraslow potential showed a tent-like shape. Its amplitude of 45.0 (39.0, 69.4) mV [median (first, third quartile)] was 6.6 times larger and its duration of 3.7 (3.3, 5.3) h was 34.9 times longer than the negative DC

  12. Investigation of interactions in a biological membrane using structure factor/pair correlation function approach: a first communication on nerve myelin

    International Nuclear Information System (INIS)

    Gbordzoe, M.K.

    1984-09-01

    Interactions in biological and artificial membranes have been studied by applying mostly the methods of biochemical analysis and determination of thermodynamic parameters related to phase transition phenomena. Structure factor, obtained by measuring scattered intensity from small-angle X-ray or neutron scattering experiments, has been used mainly for determining electron density distribution. Drawing upon the experience of the theory of liquids, where Johnson and March (1963) and Johnson, Hutchinson and March (1964) first established the possibility of deriving interparticle potential from experimental measurement of structure factor, it is suggested that structure factor/distance correlation function approach, can be a useful method for studying interactions between various membrane components. Preliminary experimental data presented for nerve myelin are to demonstrate the possibility of studying interactions from the distance correlation function of a membrane pair. (author)

  13. Potential of the neutron lloyd's mirror interferometer for the search for new interactions

    Energy Technology Data Exchange (ETDEWEB)

    Pokotilovski, Yu. N., E-mail: pokot@nf.jinr.ru [Joint Institute for Nuclear Research (Russian Federation)

    2013-04-15

    We discuss the potential of the neutron Lloyd's mirror interferometer in a search for new interactions at small scales. We consider three hypothetical interactions that may be tested using the interferometer. The chameleon scalar field proposed to solve the enigma of accelerating expansion of the Universe produces interaction between particles and matter. The axion-like spin-dependent coupling between a neutron and nuclei or/and electrons may result in a P- and T-noninvariant interaction with matter. Hypothetical non-Newtonian gravitational interactions mediates an additional short-range potential between neutrons and bulk matter. These interactions between the neutron and the mirror of a Lloyd-type neutron interferometer cause a phase shift of neutron waves. We estimate the sensitivity and systematic effects of possible experiments.

  14. The potential of the system of interpersonal interaction in the formation of adolescent autonomy

    Directory of Open Access Journals (Sweden)

    Olga A. Dorontsova

    2015-12-01

    Full Text Available The paper discusses a significant and actual issue of developing autonomy of the individual. Special attention is paid to adolescent age having high potential for developing autonomy in view of certain changes in the psychological and social sphere of the adolescents. The value of interpersonal interaction in the course of developing adolescent autonomy is shown. The approaches to the concept of interaction are analyzed, four main directions of explaining the essence of interaction are allocated: symbolical interactionism (J. Mid, social exchange (J. Homans, G. Blumer, sociodramatic touch (E. Goffman transaction analysis (E. Berne. Types of interaction, efficiency of interaction development are considered. The analysis of interpersonal interaction issues shows its communication with the categories of «relation», «communication» and «joint activity» (B.G. Ananyev, G.M. Andreyeva, S.V. Dukhnovsky, Ya.L. Kolominsky V.N. Kunitsyna, V.N. Myasishchev, B.D. Parygin, etc.. The concept of interpersonal interaction system of the autonomy causing development of adolescence in the paradigm of psychologist-teacher interaction, and also child-parent interaction is described. The advantage of psychological assistance and pedagogical support within the system of interpersonal interaction for further development of adolescent autonomy is proved. The value of cooperation as one of the types of interpersonal interaction in the course of adolescent autonomy development is shown. Mechanisms of interpersonal interaction, nature of contact in interpersonal interaction, components of a social situation are described.

  15. Stability of stationary states of non-local equations with singular interaction potentials

    KAUST Repository

    Fellner, Klemens

    2011-04-01

    We study the large-time behaviour of a non-local evolution equation for the density of particles or individuals subject to an external and an interaction potential. In particular, we consider interaction potentials which are singular in the sense that their first derivative is discontinuous at the origin.For locally attractive singular interaction potentials we prove under a linear stability condition local non-linear stability of stationary states consisting of a finite sum of Dirac masses. For singular repulsive interaction potentials we show the stability of stationary states of uniformly bounded solutions under a convexity condition.Finally, we present numerical simulations to illustrate our results. © 2010 Elsevier Ltd.

  16. Stability of stationary states of non-local equations with singular interaction potentials

    KAUST Repository

    Fellner, Klemens; Raoul, Gaë l

    2011-01-01

    repulsive interaction potentials we show the stability of stationary states of uniformly bounded solutions under a convexity condition.Finally, we present numerical simulations to illustrate our results. © 2010 Elsevier Ltd.

  17. Hybridization interactions between probesets in short oligo microarrays lead to spurious correlations

    Directory of Open Access Journals (Sweden)

    Miller Crispin J

    2006-06-01

    Full Text Available Abstract Background Microarrays measure the binding of nucleotide sequences to a set of sequence specific probes. This information is combined with annotation specifying the relationship between probes and targets and used to make inferences about transcript- and, ultimately, gene expression. In some situations, a probe is capable of hybridizing to more than one transcript, in others, multiple probes can target a single sequence. These 'multiply targeted' probes can result in non-independence between measured expression levels. Results An analysis of these relationships for Affymetrix arrays considered both the extent and influence of exact matches between probe and transcript sequences. For the popular HGU133A array, approximately half of the probesets were found to interact in this way. Both real and simulated expression datasets were used to examine how these effects influenced the expression signal. It was found not only to lead to increased signal strength for the affected probesets, but the major effect is to significantly increase their correlation, even in situations when only a single probe from a probeset was involved. By building a network of probe-probeset-transcript relationships, it is possible to identify families of interacting probesets. More than 10% of the families contain members annotated to different genes or even different Unigene clusters. Within a family, a mixture of genuine biological and artefactual correlations can occur. Conclusion Multiple targeting is not only prevalent, but also significant. The ability of probesets to hybridize to more than one gene product can lead to false positives when analysing gene expression. Comprehensive annotation describing multiple targeting is required when interpreting array data.

  18. Forward detectors around the CMS interaction point at LHC and their physics potential

    CERN Document Server

    Grothe, Monika

    2008-01-01

    Forward physics with CMS at the LHC covers a wide range of physics subjects, including very low-x QCD, underlying event and multiple interactions characteristics, gamma-mediated processes, shower development at the energy scale of primary cosmic ray interactions with the atmosphere, diffraction in the presence of a hard scale and even MSSM Higgs discovery in central exclusive production. We describe the forward detector instrumentation around the CMS interaction point and present selected feasibility studies to illustrate their physics potential.

  19. Nuclear interaction potential in a folded-Yukawa model with diffuse densities

    International Nuclear Information System (INIS)

    Randrup, J.

    1975-09-01

    The folded-Yukawa model for the nuclear interaction potential is generalized to diffuse density distributions which are generated by folding a Yukawa function into sharp generating distributions. The effect of a finite density diffuseness or of a finite interaction range is studied. The Proximity Formula corresponding to the generalized model is derived and numerical comparison is made with the exact results. (8 figures)

  20. On modelling adiabatic N-soliton interactions and perturbations. Effects of external potentials

    International Nuclear Information System (INIS)

    Gerdjikov, V.; Baizakov, B.

    2005-01-01

    We analyze several perturbed versions of the complex Toda chain (CTC) in an attempt to describe the adiabatic N-soliton train interactions of the perturbed nonlinear Schrodinger equation (NLS). Particular types of perturbations, including quadratic and periodic external potentials are treated by both analytical and numerical means. We show that the perturbed CTC model provides a good description for the N-soliton interactions in the presence of a weak external potential. (authors)

  1. Scattering at low energies by potentials containing power-law corrections to the Coulomb interaction

    International Nuclear Information System (INIS)

    Kuitsinskii, A.A.

    1986-01-01

    The low-energy asymptotic behavior is found for the phase shifts and scattering amplitudes in the case of central potentials which decrease at infinity as n/r+ar /sup -a/,a 1. In problems of atomic and nuclear physics one is generally interested in collisions of clusters consisting of several charged particles. The effective interaction potential of such clusters contains long-range power law corrections to the Coulomb interaction that is presented

  2. Influence of Pauli principle and polarization on 16O + 16O interaction potential

    International Nuclear Information System (INIS)

    Nesterov, V.A.

    2012-01-01

    In the work have studied the dependence of the interaction potential on taking into account the Pauli principle as well as monopole and quadrupole polarization within approaches based on the energy-density formalism and two-center shell model wave functions for 16 O + 16 O system. In the adiabatic approximation it is shown that the contribution of the Pauli principle and polarization in colliding nuclei radically changes the behavior of interaction potential

  3. Potential of Root Exudates from Wetland Plants and Their Potential Role for Denitrification and Allelopathic Interactions

    DEFF Research Database (Denmark)

    Zhai, Xu

    Root exudates from wetland plants have both positive and negative interactions among microbe, plants and ecosystems. Wetland species releasing organic carbon into the rhizosphere for providing energy to denitrifying bacteria fuel denitrification for removal nitrogen in subsurface flow constructed...... wetlands. Furthermore, environmental factors such as temperature and light-regime affect the photosynthetic carbon fixation, which continuously influence the compositions and quantity of root exudates released into rhizosphere. Conversely, root exudates from invasive species might contain some phytotoxic...... chemicals to suppress the growth of native species. Phragmites australis is recognized as the most invasive species in wetland ecosystems in North America, and allelopathy has been reported to be involved in the invasion success of the introduced exotic P. australis. The composition of the root exudates may...

  4. Disentangling interacting dark energy cosmologies with the three-point correlation function

    Science.gov (United States)

    Moresco, Michele; Marulli, Federico; Baldi, Marco; Moscardini, Lauro; Cimatti, Andrea

    2014-10-01

    We investigate the possibility of constraining coupled dark energy (cDE) cosmologies using the three-point correlation function (3PCF). Making use of the CODECS N-body simulations, we study the statistical properties of cold dark matter (CDM) haloes for a variety of models, including a fiducial ΛCDM scenario and five models in which dark energy (DE) and CDM mutually interact. We measure both the halo 3PCF, ζ(θ), and the reduced 3PCF, Q(θ), at different scales (2 values of the halo 3PCF for perpendicular (elongated) configurations. The effect is also scale-dependent, with differences between ΛCDM and cDE models that increase at large scales. We made use of these measurements to estimate the halo bias, that results in fair agreement with the one computed from the two-point correlation function (2PCF). The main advantage of using both the 2PCF and 3PCF is to break the bias-σ8 degeneracy. Moreover, we find that our bias estimates are approximately independent of the assumed strength of DE coupling. This study demonstrates the power of a higher order clustering analysis in discriminating between alternative cosmological scenarios, for both present and forthcoming galaxy surveys, such as e.g. Baryon Oscillation Spectroscopic Survey and Euclid.

  5. Mental disorder recovery correlated with centralities and interactions on an online social network

    Directory of Open Access Journals (Sweden)

    Xinpei Ma

    2015-08-01

    Full Text Available Recent research has established both a theoretical basis and strong empirical evidence that effective social behavior plays a beneficial role in the maintenance of physical and psychological well-being of people. To test whether social behavior and well-being are also associated in online communities, we studied the correlations between the recovery of patients with mental disorders and their behaviors in online social media. As the source of the data related to the social behavior and progress of mental recovery, we used PatientsLikeMe (PLM, the world’s first open-participation research platform for the development of patient-centered health outcome measures. We first constructed an online social network structure based on patient-to-patient ties among 200 patients obtained from PLM. We then characterized patients’ online social activities by measuring the numbers of “posts and views” and “helpful marks” each patient obtained. The patients’ recovery data were obtained from their self-reported status information that was also available on PLM. We found that some node properties (in-degree, eigenvector centrality and PageRank and the two online social activity measures were significantly correlated with patients’ recovery. Furthermore, we re-collected the patients’ recovery data two months after the first data collection. We found significant correlations between the patients’ social behaviors and the second recovery data, which were collected two months apart. Our results indicated that social interactions in online communities such as PLM were significantly associated with the current and future recoveries of patients with mental disorders.

  6. The Neural Correlates of the Body-Object Interaction Effect in Semantic Processing

    Directory of Open Access Journals (Sweden)

    Ian Scott Hargreaves

    2012-02-01

    Full Text Available The semantic richness dimension referred to as body-object interaction (BOI measures perceptions of the ease with which people can physically interact with words’ referents. Previous studies have shown facilitated lexical and semantic processing for words rated high in BOI (e.g., belt than for words rated low in BOI (e.g., sun (e.g., Siakaluk, Pexman, Sears, Wilson, Locheed, & Owen, 2008b. These BOI effects have been taken as evidence that embodied information is relevant to word recognition. However, to date there is no evidence linking BOI manipulations to differences in the utilization of perceptual or sensorimotor areas of the brain. The current study used event-related fMRI to examine the neural correlates of BOI in a semantic categorization task (SCT. Sixteen healthy adults participated. Results showed that high BOI words were associated with activation in the left inferior parietal lobule (supramarginal gyrus, BA 40, a sensory association area involved in kinesthetic memory. These results provide evidence that the BOI dimension captures sensorimotor information, and that this contributes to semantic processing.

  7. Neural Correlates of Suspiciousness and Interactions with Anxiety during Emotional and Neutral Word Processing

    Directory of Open Access Journals (Sweden)

    Joscelyn E Fisher

    2014-06-01

    Full Text Available Suspiciousness is usually classified as a symptom of psychosis, but it also occurs in depression and anxiety disorders. Though how suspiciousness overlaps with depression is not obvious, suspiciousness does seem to overlap with anxious apprehension and anxious arousal (e.g., verbal iterative processes and vigilance about environmental threat. However, suspiciousness also has unique characteristics (e.g., concern about harm from others and vigilance about social threat. Given that both anxiety and suspiciousness have been associated with abnormalities in emotion processing, it is unclear whether it is the unique characteristics of suspiciousness or the overlap with anxiety that drive abnormalities in emotion processing.. Event-related brain potentials were obtained during an emotion-word Stroop task. Results indicated that suspiciousness interacts with anxious apprehension to modulate initial stimulus perception processes. Suspiciousness is associated with attention to all stimuli regardless of emotion content. In contrast, anxious arousal is associated with a later response to emotion stimuli only. These results suggest that suspiciousness and anxious apprehension share overlapping processes, but suspiciousness alone is associated with a hyperactive early vigilance response. Depression did not interact with suspiciousness to predict response to emotion stimuli. These findings suggest that it may be informative to assess suspiciousness in conjunction with anxiety in order to better understand how these symptoms interact and contribute to dysfunctional emotion processing.

  8. Interatomic interaction effects on second-order momentum correlations and Hong-Ou-Mandel interference of double-well-trapped ultracold fermionic atoms

    Science.gov (United States)

    Brandt, Benedikt B.; Yannouleas, Constantine; Landman, Uzi

    2018-05-01

    Identification and understanding of the evolution of interference patterns in two-particle momentum correlations as a function of the strength of interatomic interactions are important in explorations of the nature of quantum states of trapped particles. Together with the analysis of two-particle spatial correlations, they offer the prospect of uncovering fundamental symmetries and structure of correlated many-body states, as well as opening vistas into potential control and utilization of correlated quantum states as quantum-information resources. With the use of the second-order density matrix constructed via exact diagonalization of the microscopic Hamiltonian, and an analytic Hubbard-type model, we explore here the systematic evolution of characteristic interference patterns in the two-body momentum and spatial correlation maps of two entangled ultracold fermionic atoms in a double well, for the entire attractive- and repulsive-interaction range. We uncover quantum-statistics-governed bunching and antibunching, as well as interaction-dependent interference patterns, in the ground and excited states, and interpret our results in light of the Hong-Ou-Mandel interference physics, widely exploited in photon indistinguishability testing and quantum-information science.

  9. Expanding Interaction Potentials within Virtual Environments: Investigating the Usability of Speech and Manual Input Modes for Decoupled Interaction

    Directory of Open Access Journals (Sweden)

    Alex Stedmon

    2011-01-01

    Full Text Available Distributed technologies and ubiquitous computing now support users who may be detached or decoupled from traditional interactions. In order to investigate the potential usability of speech and manual input devices, an evaluation of speech input across different user groups and a usability assessment of independent-user and collaborative-user interactions was conducted. Whilst the primary focus was on a formative usability evaluation, the user group evaluation provided a formal basis to underpin the academic rigor of the exercise. The results illustrate that using a speech interface is important in understanding user acceptance of such technologies. From the usability assessment it was possible to translate interactions and make them compatible with innovative input devices. This approach to interaction is still at an early stage of development, and the potential or validity of this interfacing concept is still under evaluation; however, as a concept demonstrator, the results of these initial evaluations demonstrate the potential usability issues of both input devices as well as highlighting their suitability for advanced virtual applications.

  10. Using Three-color Single-molecule FRET to Study the Correlation of Protein Interactions.

    Science.gov (United States)

    Götz, Markus; Wortmann, Philipp; Schmid, Sonja; Hugel, Thorsten

    2018-01-30

    Single-molecule Förster resonance energy transfer (smFRET) has become a widely used biophysical technique to study the dynamics of biomolecules. For many molecular machines in a cell proteins have to act together with interaction partners in a functional cycle to fulfill their task. The extension of two-color to multi-color smFRET makes it possible to simultaneously probe more than one interaction or conformational change. This not only adds a new dimension to smFRET experiments but it also offers the unique possibility to directly study the sequence of events and to detect correlated interactions when using an immobilized sample and a total internal reflection fluorescence microscope (TIRFM). Therefore, multi-color smFRET is a versatile tool for studying biomolecular complexes in a quantitative manner and in a previously unachievable detail. Here, we demonstrate how to overcome the special challenges of multi-color smFRET experiments on proteins. We present detailed protocols for obtaining the data and for extracting kinetic information. This includes trace selection criteria, state separation, and the recovery of state trajectories from the noisy data using a 3D ensemble Hidden Markov Model (HMM). Compared to other methods, the kinetic information is not recovered from dwell time histograms but directly from the HMM. The maximum likelihood framework allows us to critically evaluate the kinetic model and to provide meaningful uncertainties for the rates. By applying our method to the heat shock protein 90 (Hsp90), we are able to disentangle the nucleotide binding and the global conformational changes of the protein. This allows us to directly observe the cooperativity between the two nucleotide binding pockets of the Hsp90 dimer.

  11. Comparison of the effect of soft-core potentials and Coulombic potentials on bremsstrahlung during laser matter interaction

    Science.gov (United States)

    Pandit, Rishi R.; Becker, Valerie R.; Barrington, Kasey; Thurston, Jeremy; Ramunno, Lora; Ackad, Edward

    2018-04-01

    An intense, short laser pulse incident on rare-gas clusters can produce nano-plasmas containing energetic electrons. As these electrons undergo scattering, from both phonons and ions, they emit bremsstrahlung radiation. Here, we compare a theory of bremsstrahlung emission appropriate for the interaction of intense lasers with matter using soft-core potentials and Coulombic potentials. A new scaling for the radiation cross-section and the radiated power via bremsstrahlung is derived for a soft-core potential (which depends on the potential depth) and compared with the Coulomb potential. Calculations using the new scaling are performed for electrons in vacuum ultraviolet, infrared and mid-infrared laser pulses. The radiation cross-section and the radiation power via bremsstrahlung are found to increase rapidly with increases in the potential depth of up to around 200 eV and then become mostly saturated for larger depths while remaining constant for the Coulomb potential. In both cases, the radiation cross-section and the radiation power of bremsstrahlung decrease with increases in the laser wavelength. The ratio of the scattering amplitude for the soft-core potential and that for the Coulombic potential decreases exponentially with an increase in momentum transfer. The bremsstrahlung emission by electrons in plasmas may provide a broadband light source for diagnostics.

  12. Prevalence of Potential and Clinically Relevant Statin-Drug Interactions in Frail and Robust Older Inpatients.

    Science.gov (United States)

    Thai, Michele; Hilmer, Sarah; Pearson, Sallie-Anne; Reeve, Emily; Gnjidic, Danijela

    2015-10-01

    A significant proportion of older people are prescribed statins and are also exposed to polypharmacy, placing them at increased risk of statin-drug interactions. To describe the prevalence rates of potential and clinically relevant statin-drug interactions in older inpatients according to frailty status. A cross-sectional study of patients aged ≥65 years who were prescribed a statin and were admitted to a teaching hospital between 30 July and 10 October 2014 in Sydney, Australia, was conducted. Data on socio-demographics, comorbidities and medications were collected using a standardized questionnaire. Potential statin-drug interactions were defined if listed in the Australian Medicines Handbook and three international drug information sources: the British National Formulary, Drug Interaction Facts and Drug-Reax(®). Clinically relevant statin-drug interactions were defined as interactions with the highest severity rating in at least two of the three international drug information sources. Frailty was assessed using the Reported Edmonton Frail Scale. A total of 180 participants were recruited (median age 78 years, interquartile range 14), 35.0% frail and 65.0% robust. Potential statin-drug interactions were identified in 10% of participants, 12.7% of frail participants and 8.5% of robust participants. Clinically relevant statin-drug interactions were identified in 7.8% of participants, 9.5% of frail participants and 6.8% of robust participants. Depending on the drug information source used, the prevalence rates of potential and clinically relevant statin-drug interactions ranged between 14.4 and 35.6% and between 14.4 and 20.6%, respectively. In our study of frail and robust older inpatients taking statins, the overall prevalence of potential statin-drug interactions was low and varied significantly according to the drug information source used.

  13. Plasmon dispersion and dynamic exchange-correlation potential from two-pair excitations in degenerate plasmas

    International Nuclear Information System (INIS)

    Boehm, H.M.; Conti, S.; Tosi, M.P.

    1995-11-01

    Electron energy loss experiments have shown a rapid softening of the bulk plasmon dispersion across the series of the alkali metals. Motivated by these observations, we reconsider the evaluation of the dynamic, long-wavelength exchange-correlation potential f xc (ω) in the electron fluid, which is of interest for applications in time-dependent density functional theory. The value of Re[f xc (ω pl )] at the plasma frequency ω pl determines the exchange-correlation contribution to the leading plasmon dispersion coefficient in the homogeneous electron fluid. Whereas an interpolation scheme originally proposed by Gross and Kohn assumes a monotonic increase of Re[f xc (ω) - f xc (0)] across the plasma frequency, we examine the possibility of strongly non-monotonic behaviour arising from a resonance process between plasmons and two-pair excitations. This process is evaluated with the help of sum rules and selfconsistency requirements with a single-pole approximation of the dielectric function. The cases of a fermion plasma and of a boson plasma are treated in parallel and the reliability of the results for the fermion plasma at low coupling is tested by calculations within a random phase approximation for the dielectric function. In all cases it is found that the resonance process accumulates oscillator strength in the neighbourhood of 2ω pl , thus decreasing the value of Re[f xc (ω pl )] below the static value f xc (0) fixed by the compressibility sum rule. Although this lowering does not suffice to account by itself for the measured plasmon dispersion coefficient in the low-density alkali metals, our results provide useful input for combined band-structure and exchange-correlation calculations. (author). 40 refs, 9 figs, 2 tabs

  14. Neural correlates of cued recall in young and older adults: an event-related potential study.

    Science.gov (United States)

    Angel, Lucie; Fay, Séverine; Bouazzaoui, Badiâa; Granjon, Lionel; Isingrini, Michel

    2009-01-07

    This experiment investigated age differences in electrophysiological correlates of retrieval success in a word-stem cued recall task. Young adults (M+/-SD: 21.4 years+/-1.9) performed this memory task more accurately than older participants (M+/-SD: 65.1 years+/-3.3). Robust event-related brain potential (ERP) old/new effects were identified in both age groups. The main age differences were observed in latency and lateralization of ERP effects. Young adults exhibited a parietal effect that became focused over left parietal electrodes, whereas no asymmetry was observed in older adults. Moreover, ERP effects were more delayed in the older group. Overall, these findings provide some evidence of the reduction of processing speed during aging and suggest that young and older adults may recruit distinct cerebral patterns during episodic cued recall.

  15. Time-Shift Correlation Algorithm for P300 Event Related Potential Brain-Computer Interface Implementation

    Directory of Open Access Journals (Sweden)

    Ju-Chi Liu

    2016-01-01

    Full Text Available A high efficient time-shift correlation algorithm was proposed to deal with the peak time uncertainty of P300 evoked potential for a P300-based brain-computer interface (BCI. The time-shift correlation series data were collected as the input nodes of an artificial neural network (ANN, and the classification of four LED visual stimuli was selected as the output node. Two operating modes, including fast-recognition mode (FM and accuracy-recognition mode (AM, were realized. The proposed BCI system was implemented on an embedded system for commanding an adult-size humanoid robot to evaluate the performance from investigating the ground truth trajectories of the humanoid robot. When the humanoid robot walked in a spacious area, the FM was used to control the robot with a higher information transfer rate (ITR. When the robot walked in a crowded area, the AM was used for high accuracy of recognition to reduce the risk of collision. The experimental results showed that, in 100 trials, the accuracy rate of FM was 87.8% and the average ITR was 52.73 bits/min. In addition, the accuracy rate was improved to 92% for the AM, and the average ITR decreased to 31.27 bits/min. due to strict recognition constraints.

  16. General theory for calculating disorder-averaged Green's function correlators within the coherent potential approximation

    Science.gov (United States)

    Zhou, Chenyi; Guo, Hong

    2017-01-01

    We report a diagrammatic method to solve the general problem of calculating configurationally averaged Green's function correlators that appear in quantum transport theory for nanostructures containing disorder. The theory treats both equilibrium and nonequilibrium quantum statistics on an equal footing. Since random impurity scattering is a problem that cannot be solved exactly in a perturbative approach, we combine our diagrammatic method with the coherent potential approximation (CPA) so that a reliable closed-form solution can be obtained. Our theory not only ensures the internal consistency of the diagrams derived at different levels of the correlators but also satisfies a set of Ward-like identities that corroborate the conserving consistency of transport calculations within the formalism. The theory is applied to calculate the quantum transport properties such as average ac conductance and transmission moments of a disordered tight-binding model, and results are numerically verified to high precision by comparing to the exact solutions obtained from enumerating all possible disorder configurations. Our formalism can be employed to predict transport properties of a wide variety of physical systems where disorder scattering is important.

  17. Correlates of a single cortical action potential in the epidural EEG

    Science.gov (United States)

    Teleńczuk, Bartosz; Baker, Stuart N; Kempter, Richard; Curio, Gabriel

    2015-01-01

    To identify the correlates of a single cortical action potential in surface EEG, we recorded simultaneously epidural EEG and single-unit activity in the primary somatosensory cortex of awake macaque monkeys. By averaging over EEG segments coincident with more than hundred thousand single spikes, we found short-lived (≈ 0.5 ms) triphasic EEG deflections dominated by high-frequency components > 800 Hz. The peak-to-peak amplitude of the grand-averaged spike correlate was 80 nV, which matched theoretical predictions, while single-neuron amplitudes ranged from 12 to 966 nV. Combining these estimates with post-stimulus-time histograms of single-unit responses to median-nerve stimulation allowed us to predict the shape of the evoked epidural EEG response and to estimate the number of contributing neurons. These findings establish spiking activity of cortical neurons as a primary building block of high-frequency epidural EEG, which thus can serve as a quantitative macroscopic marker of neuronal spikes. PMID:25554430

  18. Event-related potential correlates of emergent inference in human arbitrary relational learning.

    Science.gov (United States)

    Wang, Ting; Dymond, Simon

    2013-01-01

    Two experiments investigated the functional-anatomical correlates of cognition supporting untrained, emergent relational inference in a stimulus equivalence task. In Experiment 1, after learning a series of conditional relations involving words and pseudowords, participants performed a relatedness task during which EEG was recorded. Behavioural performance was faster and more accurate on untrained, indirectly related symmetry (i.e., learn AB and infer BA) and equivalence trials (i.e., learn AB and AC and infer CB) than on unrelated trials, regardless of whether or not a formal test for stimulus equivalence relations had been conducted. Consistent with previous results, event related potentials (ERPs) evoked by trained and emergent trials at parietal and occipital sites differed only for those participants who had not received a prior equivalence test. Experiment 2 further replicated and extended these behavioural and ERP findings using arbitrary symbols as stimuli and demonstrated time and frequency differences for trained and untrained relatedness trials. Overall, the findings demonstrate convincingly the ERP correlates of intra-experimentally established stimulus equivalence relations consisting entirely of arbitrary symbols and offer support for a contemporary cognitive-behavioural model of symbolic categorisation and relational inference. Copyright © 2012 Elsevier B.V. All rights reserved.

  19. Event-related brain potential correlates of human auditory sensory memory-trace formation.

    Science.gov (United States)

    Haenschel, Corinna; Vernon, David J; Dwivedi, Prabuddh; Gruzelier, John H; Baldeweg, Torsten

    2005-11-09

    The event-related potential (ERP) component mismatch negativity (MMN) is a neural marker of human echoic memory. MMN is elicited by deviant sounds embedded in a stream of frequent standards, reflecting the deviation from an inferred memory trace of the standard stimulus. The strength of this memory trace is thought to be proportional to the number of repetitions of the standard tone, visible as the progressive enhancement of MMN with number of repetitions (MMN memory-trace effect). However, no direct ERP correlates of the formation of echoic memory traces are currently known. This study set out to investigate changes in ERPs to different numbers of repetitions of standards, delivered in a roving-stimulus paradigm in which the frequency of the standard stimulus changed randomly between stimulus trains. Normal healthy volunteers (n = 40) were engaged in two experimental conditions: during passive listening and while actively discriminating changes in tone frequency. As predicted, MMN increased with increasing number of standards. However, this MMN memory-trace effect was caused mainly by enhancement with stimulus repetition of a slow positive wave from 50 to 250 ms poststimulus in the standard ERP, which is termed here "repetition positivity" (RP). This RP was recorded from frontocentral electrodes when participants were passively listening to or actively discriminating changes in tone frequency. RP may represent a human ERP correlate of rapid and stimulus-specific adaptation, a candidate neuronal mechanism underlying sensory memory formation in the auditory cortex.

  20. Time-Shift Correlation Algorithm for P300 Event Related Potential Brain-Computer Interface Implementation.

    Science.gov (United States)

    Liu, Ju-Chi; Chou, Hung-Chyun; Chen, Chien-Hsiu; Lin, Yi-Tseng; Kuo, Chung-Hsien

    2016-01-01

    A high efficient time-shift correlation algorithm was proposed to deal with the peak time uncertainty of P300 evoked potential for a P300-based brain-computer interface (BCI). The time-shift correlation series data were collected as the input nodes of an artificial neural network (ANN), and the classification of four LED visual stimuli was selected as the output node. Two operating modes, including fast-recognition mode (FM) and accuracy-recognition mode (AM), were realized. The proposed BCI system was implemented on an embedded system for commanding an adult-size humanoid robot to evaluate the performance from investigating the ground truth trajectories of the humanoid robot. When the humanoid robot walked in a spacious area, the FM was used to control the robot with a higher information transfer rate (ITR). When the robot walked in a crowded area, the AM was used for high accuracy of recognition to reduce the risk of collision. The experimental results showed that, in 100 trials, the accuracy rate of FM was 87.8% and the average ITR was 52.73 bits/min. In addition, the accuracy rate was improved to 92% for the AM, and the average ITR decreased to 31.27 bits/min. due to strict recognition constraints.

  1. Explicit correlation treatment of the potential energy surface of CO{sub 2} dimer

    Energy Technology Data Exchange (ETDEWEB)

    Kalugina, Yulia N., E-mail: kalugina@phys.tsu.ru [Tomsk State University, 36 Lenin Ave., Tomsk 634050 (Russian Federation); Buryak, Ilya A. [Obukhov Institute of Atmospheric Physics, Russian Academy of Sciences, Moscow (Russian Federation); Chemistry Department, Lomonosov Moscow State University, Moscow (Russian Federation); Ajili, Yosra [Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 Bd Descartes, 77454 Marne-La-Vallée (France); Laboratoire de Spectroscopie Atomique, Moléculaire et Applications - LSAMA Université de Tunis El Manar (Tunisia); Vigasin, Andrei A. [Obukhov Institute of Atmospheric Physics, Russian Academy of Sciences, Moscow (Russian Federation); Jaidane, Nejm Eddine [Laboratoire de Spectroscopie Atomique, Moléculaire et Applications - LSAMA Université de Tunis El Manar (Tunisia); Hochlaf, Majdi [Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 Bd Descartes, 77454 Marne-La-Vallée (France)

    2014-06-21

    We present an extensive study of the four-dimensional potential energy surface (4D-PES) of the carbon dioxide dimer, (CO{sub 2}){sub 2}. This PES is developed over the set of intermolecular coordinates. The electronic computations are carried out at the explicitly correlated coupled cluster method with single, double, and perturbative triple excitations [CCSD(T)-F12] level of theory in connection with the augmented correlation-consistent aug-cc-pVTZ basis set. An analytic representation of the 4D-PES is derived. Our extensive calculations confirm that “Slipped Parallel” is the most stable form and that the T-shaped structure corresponds to a transition state. Later on, this PES is employed for the calculations of the vibrational energy levels of the dimer. Moreover, the temperature dependence of the dimer second virial coefficient and of the first spectral moment of rototranslational collision-induced absorption spectrum is derived. For both quantities, a good agreement is found between our values and the experimental data for a wide range of temperatures. This attests to the high quality of our PES. Generally, our PES and results can be used for modeling CO{sub 2} supercritical fluidity and examination of its role in planetary atmospheres. It can be also incorporated into dynamical computations of CO{sub 2} capture and sequestration. This allows deep understanding, at the microscopic level, of these processes.

  2. The influence of final state interaction on two-particle correlations in multiple production of particles and resonances

    International Nuclear Information System (INIS)

    Lednicky, R.; Lyuboshitz, V.L.

    1996-01-01

    The structure of pair correlations of interacting particles moving with nearby velocities is analysed. A general formalism of the two-particle space-time density matrix, taking into account the space-time coherence of the production process, is developed. The influence of strong final state interaction on two-particle correlations in the case of the production of a system resonance + particle is investigated in detail. It is shown that in the limit of small distances between the resonance and particle production points the effect of final state interaction is enhanced due to logarithmic singularity of the triangle diagram. Numerical estimates indicate that, in this limit, the effect of strong final state interaction becomes important even for two-pion correlations. (author)

  3. Correlation between potential well structure and neutron production in inertial electrostatic confinement fusion

    International Nuclear Information System (INIS)

    Ohnishi, M.; Yamamoto, Y.; Yoshikawa, K.; Sato, K.H.

    1997-01-01

    The electrostatic potential well in inertial electrostatic confinement (IEC) is studied using two approaches. First, the equilibrium potential profile is obtained by solving the charge neutrality condition, i.e. n i n e , assuming the appropriate distribution functions for the ions and the electrons. The formation of a double well structure is demonstrated, with a depth depending upon the ratio between the focus radii of the electrons and the ions. The correlations between the well depth and the volume integrated neutron production due to deuterium-deuterium (DD) reactions are obtained. Second, in order to study the stability of the well, the dynamic behaviours of the potential well are calculated by performing time advancing numerical simulations on the basis of the particle in cell method. Single, double and triple wells, depending on the amount of injected ion current, are observed to be formed for ions with a monoenergetic distribution. The well in the centre of the multiwell structure is unstable and oscillates with a periods much longer than the inverse ion plasma frequency. A double well structure can be formed even for ions with a spread out energy distribution when the ion current is larger than the threshold value. The time averaged neutron production by DD fusion events is proportional to a power of the ion current involved in forming the double well structure. The results strongly suggest that the high neutron production rate should be attributed to not only the well depth but also the unstable behaviour of the potential, i.e. the intermittent peaking of the density in the centre region. A numerical simulation reveals that IEC possesses a favourable dependence of fusion reactions on the injected ion current for the application to a neutron source or a fusion reactor. (author). 9 refs, 9 figs

  4. The potential of protein-nanomaterial interaction for advanced drug delivery

    DEFF Research Database (Denmark)

    Peng, Qiang; Mu, Huiling

    2016-01-01

    Nanomaterials, like nanoparticles, micelles, nano-sheets, nanotubes and quantum dots, have great potentials in biomedical fields. However, their delivery is highly limited by the formation of protein corona upon interaction with endogenous proteins. This new identity, instead of nanomaterial itself...... of such interaction for advanced drug delivery are presented........ Therefore, protein-nanomaterial interaction is a great challenge for nanomaterial systems and should be inhibited. However, this interaction can also be used to functionalize nanomaterials by forming a selected protein corona. Unlike other decoration using exogenous molecules, nanomaterials functionalized...

  5. Shell and isotopic effects in neutron interaction with nuclei. [Optical model and nucleus asymmetry correlations

    Energy Technology Data Exchange (ETDEWEB)

    Pasechnik, M V

    1978-01-01

    Major results of investigations into the shell structure of deformed nuclei with the number of neutrons of approximately 100, as well as new isotopic effects in the inelastic scattering of fast neutrons with nuclei are reported. The experiments conducted at the WWR-M research reactor have shown a substantial dependence of the nuclear excited energy-level density on the mass number and the number of neutrons. The fact resulted in a conclusion that the deformed nuclei possess filled shells, that was an incentive to revise the whole nuclear shell concept. In particular it was established that the property of magicity rests not only on the sphericity of nuclei but it may be also observed in strongly deformed nuclei. The isotope-spin dependence of the nuclear potential was studied at the AG-5 pulse electrostatic generator. The parameters of the potential were determined by comparing the experimental data on inelastic scattering and polarization of fast neutrons by nuclei from /sup 48/Ti to /sup 209/Bi with the calculations in terms of the optical model. Simple correlations were established between the optical potential and the nucleus asymmetry parameter ..cap alpha..=N-Z/A in wide ranges of mass numbers and neutron energy.

  6. Choice of single-particle potential and the convergence of the effective interaction

    International Nuclear Information System (INIS)

    Hjorth-Jensen, M.; Osnes, E.; Muether, H.; Schmid, K.W.

    1990-02-01

    The convergence of the expansion for the effective interaction is studied considering as example the shell model for the nuclei 18 O and 18 F. In this work the effective interaction is computed through third order in the Brueckner G matrix, using both a harmonic-oscillator (HO) basis and a Brueckner-Hartree-Fock (BHF) basis. The significant differences in the convergence behavior of the effective interaction in these two cases are reported. The results indicate that the choice of the BHF single-particle potential facilitates the convergence of the effective interaction in low-orders of the expansion, whereas the HO results exhibit a non-convergent behavior. The implications for the HO approach are discussed. All calculations have been performed considering a modern version of the Bonn one-boson-exchange potential for the nucleon-nucleon interaction. 23 refs., 4 figs., 2 tabs

  7. Is vertebrate mortality correlated to potential permeability by underpasses along low-traffic roads?

    Science.gov (United States)

    Delgado, Juan D; Morelli, Federico; Arroyo, Natalia L; Durán, Jorge; Rodríguez, Alexandra; Rosal, Antonio; Palenzuela, María Del Valle; Rodríguez, Jesús D G P

    2018-09-01

    Road permeability to animal movements depends among several factors on structures which, integrated in the road design, operate as safe conducts to mitigate vehicle collision and barrier effects. There is abundant evidence that wildlife makes use of such structures as safe passages to cross roads. We analyzed the spatial relationship between road drainage elements (N = 253; mostly culverts) as potential faunal underpasses, and mortality due to vehicle collisions in two seasons and on four relatively low-traffic roads (roads, identifying and characterizing all potential underpasses. Overall frequencies of casualties and spatial distribution were highly variable both within and among these roads. We obtained an estimation of potential permeability for the different roads. We detected, located and described a wide supply and a very variable pattern of drainage culverts and other underpasses, with differences among roads in passage attributes potentially affecting permeability for wildlife, such as spatial arrangement, number, density (frequency or concentration of passages) and dimensions. We used Mantel tests to assess spatial congruence of passages and road-killed animals. We applied generalized linear mixed models fitted by maximum likelihood through Akaike Information Criterion to explain the variation in the distance of the 238 casualties to the nearest underpasses, with road transect and season as random factors, and traffic intensity, speed and vertebrate class as fixed effects. Both road-killed animals and underpass distribution followed aggregated patterns, and casualties were not significantly related to underpasses along any of the 4 roads. There were no differences in distance of casualties to the nearest underpass for the three vertebrate classes. Although existing underpasses were abundant, we could not correlate potential permeability with reduced mortality along these roads, and other factors potentially affecting roadkill aggregations should be

  8. Correlating learning and memory improvements to long-term potentiation in patients with brain injury

    Institute of Scientific and Technical Information of China (English)

    Xingfu Peng; Qian Yu

    2008-01-01

    BACKGROUND:Brain injury patients often exhibit learning and memory functional deficits.Long-term potentiation(LTP)is a representative index for studying learning and memory cellular models; the LTP index correlates to neural plasticity. OBJECTIVE:This study was designed to investigate correlations of learning and memory functions to LTP in brain injury patients,and to summarize the research advancements in mechanisms underlying brain functional improvements after rehabilitation intervention. RETRIEVAL STRATEGY:Using the terms "brain injuries,rehabilitation,learning and memory,long-term potentiation",manuscripts that were published from 2000-2007 were retrieved from the PubMed database.At the same time,manuscripts published from 2000-2007 were also retrieved from the Database of Chinese Scientific and Technical Periodicals with the same terms in the Chinese language.A total of 64 manuscripts were obtained and primarily screened.Inclusion criteria:studies on learning and memory,as well as LTP in brain injury patients,and studies focused on the effects of rehabilitation intervention on the two indices; studies that were recently published or in high-impact journals.Exclusion criteria:repetitive studies.LITERATURE EVALUATION:The included manuscripts primarily focused on correlations between learning and memory and LTP,the effects of brain injury on learning and memory,as well as LTP,and the effects of rehabilitation intervention on learning and memory after brain injury.The included 39 manuscripts were clinical,basic experimental,or review studies. DATA SYNTHESIS:Learning and memory closely correlates to LTP.The neurobiological basis of learning and memory is central nervous system plasticity,which involves neural networks,neural circuits,and synaptic connections,in particular,synaptic plasticity.LTP is considered to be an ideal model for studying synaptic plasticity,and it is also a classic model for studying neural plasticity of learning and memory.Brain injury

  9. Prevalence of potential drug-drug interactions in cancer patients treated with oral anticancer drugs

    NARCIS (Netherlands)

    van Leeuwen, R. W. F.; Brundel, D. H. S.; Neef, C.; van Gelder, T.; Mathijssen, R. H. J.; Burger, D. M.; Jansman, F. G. A.

    2013-01-01

    Background: Potential drug-drug interactions (PDDIs) in patients with cancer are common, but have not previously been quantified for oral anticancer treatment. We assessed the prevalence and seriousness of potential PDDIs among ambulatory cancer patients on oral anticancer treatment. Methods: A

  10. Chemical Potential Dependence of the Dressed-Quark Propagator from an Effective Quark-Quark Interaction

    Institute of Scientific and Technical Information of China (English)

    ZONG Hong-Shi; PING Jia-Lun; SUN Wei-Min; CHANG Chao-Hsi; WANG Fan

    2002-01-01

    We exhibit a method for obtaining the low chemical potential dependence of the dressed quark propagatorfrom an effective quark-quark interaction model. Within this approach we explore the chemical potential dependenceof the dressed-quark propagator, which provides a means of determining the behavior of the chiral and deconfinementorder parameters. A comparison with the results of previous researches is given.

  11. Interaction potential and repulsive force between atoms whose internuclear separations are small

    International Nuclear Information System (INIS)

    Barbaro, Jacques

    1971-01-01

    The Thomas-Fermi equation is solved for the homonuclear diatomic molecule. The electronic density and electrostatic potential at each point are used to calculate energies and interaction potentials for very small internuclear separation distances. The repulsive force between atoms is derived by means of the virial theorem. (author) [fr

  12. Prevalence of potential drug-drug interactions in cancer patients treated with oral anticancer drugs

    NARCIS (Netherlands)

    R.W.F. van Leeuwen (Roelof); D.H.S. Brundel (D. H S); C. Neef (Cees); T. van Gelder (Teun); A.H.J. Mathijssen (Ron); D.M. Burger (David); F.G.A. Jansman (Frank)

    2013-01-01

    textabstractBackground: Potential drug-drug interactions (PDDIs) in patients with cancer are common, but have not previously been quantified for oral anticancer treatment. We assessed the prevalence and seriousness of potential PDDIs among ambulatory cancer patients on oral anticancer treatment.

  13. Parton interactions and two particle transverse momentum correlations in Au + Au collisions at √SNN=130 GeV

    International Nuclear Information System (INIS)

    Liu Qingjun; Guo Liqun; Piao Xingliang

    2006-01-01

    Partonic effects on two-particle transverse momentum correlations are studied for Au + Au collisions at √S NN =130 GeV in the Monte Carlo model, AMPT. This study demonstrates that in these collisions partonic interactions contribute significantly to the correlations. Additionally, model calculations are compared with data of the two-particle transverse momentum correlations measured by the STAR Collaboration at RHIC, and it is found that AMPT with string melting can well reproduce the measured centrality dependence of the two-particle transverse momentum correlations in Au + Au collisions at √S NN =130 GeV. (authors)

  14. Aesthetic appreciation of poetry correlates with ease of processing in event-related potentials.

    Science.gov (United States)

    Obermeier, Christian; Kotz, Sonja A; Jessen, Sarah; Raettig, Tim; von Koppenfels, Martin; Menninghaus, Winfried

    2016-04-01

    Rhetorical theory suggests that rhythmic and metrical features of language substantially contribute to persuading, moving, and pleasing an audience. A potential explanation of these effects is offered by "cognitive fluency theory," which stipulates that recurring patterns (e.g., meter) enhance perceptual fluency and can lead to greater aesthetic appreciation. In this article, we explore these two assertions by investigating the effects of meter and rhyme in the reception of poetry by means of event-related brain potentials (ERPs). Participants listened to four versions of lyrical stanzas that varied in terms of meter and rhyme, and rated the stanzas for rhythmicity and aesthetic liking. The behavioral and ERP results were in accord with enhanced liking and rhythmicity ratings for metered and rhyming stanzas. The metered and rhyming stanzas elicited smaller N400/P600 ERP responses than their nonmetered, nonrhyming, or nonmetered and nonrhyming counterparts. In addition, the N400 and P600 effects for the lyrical stanzas correlated with aesthetic liking effects (metered-nonmetered), implying that modulation of the N400 and P600 has a direct bearing on the aesthetic appreciation of lyrical stanzas. We suggest that these effects are indicative of perceptual-fluency-enhanced aesthetic liking, as postulated by cognitive fluency theory.

  15. A reactive empirical bond order (REBO) potential for hydrocarbon-oxygen interactions

    International Nuclear Information System (INIS)

    Ni, Boris; Lee, Ki-Ho; Sinnott, Susan B

    2004-01-01

    The expansion of the second-generation reactive empirical bond order (REBO) potential for hydrocarbons, as parametrized by Brenner and co-workers, to include oxygen is presented. This involves the explicit inclusion of C-O, H-O, and O-O interactions to the existing C-C, C-H, and H-H interactions in the REBO potential. The details of the expansion, including all parameters, are given. The new, expanded potential is then applied to the study of the structure and chemical stability of several molecules and polymer chains, and to modelling chemical reactions among a series of molecules, within classical molecular dynamics simulations

  16. Collisional effects on interaction potential in complex plasma in presence of magnetic field

    Energy Technology Data Exchange (ETDEWEB)

    Bezbaruah, Pratikshya, E-mail: pratphd@tezu.ernet.in; Das, Nilakshi [Department of Physics, Tezpur University, Tezpur, Assam 784028 (India)

    2016-04-15

    Interaction potential in complex plasma with streaming ions is derived analytically in presence of ion-neutral collision and magnetic field. The linear dielectric response function obtained describes the behavior of charged micron sized dust particles in strong collisional limit. A new type of repulsive potential is found to be operative among the dust grains apart from the normal Debye–Hückel potential. The amplitude and shielding length involved in the potential are substantially affected by the parameters describing ion cyclotron frequency, collision frequency among ions and neutrals, and ion streaming. It is also observed that the usual mechanism of ion focusing surrounding the grain is inhibited due to collision. As a result, the attractive wake potential structure is destroyed in the ion flow direction. The horizontal interaction involves only Debye–Hückel potential.

  17. Collisional effects on interaction potential in complex plasma in presence of magnetic field

    International Nuclear Information System (INIS)

    Bezbaruah, Pratikshya; Das, Nilakshi

    2016-01-01

    Interaction potential in complex plasma with streaming ions is derived analytically in presence of ion-neutral collision and magnetic field. The linear dielectric response function obtained describes the behavior of charged micron sized dust particles in strong collisional limit. A new type of repulsive potential is found to be operative among the dust grains apart from the normal Debye–Hückel potential. The amplitude and shielding length involved in the potential are substantially affected by the parameters describing ion cyclotron frequency, collision frequency among ions and neutrals, and ion streaming. It is also observed that the usual mechanism of ion focusing surrounding the grain is inhibited due to collision. As a result, the attractive wake potential structure is destroyed in the ion flow direction. The horizontal interaction involves only Debye–Hückel potential.

  18. Temperature-dependent interaction potential between NF3 molecules and thermophysical properties of gaseous NF3

    International Nuclear Information System (INIS)

    Damyanova, M; Balabanova, E; Hohm, U

    2014-01-01

    A temperature-dependent effective intermolecular interaction potential is applied to describe the interaction between two nitrogen fluoride (NF 3 ) molecules in gas phase. To this end, a spherically-symmetric (n-6) Lennard-Jones temperature-dependent potential (LJTDP) is used. The (n-6) LJTDP takes into account the influence of vibrational excitation of the molecules on the potential parameters, namely, the equilibrium distance r m and the potential well depth ε. The potential parameters at T = 0 K were obtained from the very small amount of existing thermophysical equilibrium and transport properties of low-density NF 3 gas. Fitting formulae are tabulated for a fast and reliable prediction of the thermophysical properties and potential parameters in the temperature range between 200 K and 1200 K. A comparison is also presented between our estimates for some thermophysical properties of the NF 3 gas with the available experimental and calculated data.

  19. Asymptotic behavior of correlation functions for electric potential and field fluctuations in a classical one-component plasma

    NARCIS (Netherlands)

    Suttorp, L.G.

    1992-01-01

    The correlations of the electric potential fluctuations in a classical one-component plasma are studied for large distances between the observation points. The two-point correlation function for these fluctuations is known to decay slowly for large distances, even if exponential clustering holds for

  20. Interaction potentials for multiquark states from instantons and other background gauge field configurations

    International Nuclear Information System (INIS)

    Warner, R.C.; Joshi, G.C.

    1979-01-01

    A simple rule is presented for calculating the contributions to the interaction potentials between constituent particles for a family of multiquark states, due to the presence of a semi-classical gauge field configuration which exists in a single SU(2) subgroup of colour SU(3). In multiquark states beyond the baryon many-body potential terms are found. The static (Wilson loop) limit is sufficient to elucidate the dependence of the potential on the colour structure of the multiquark state

  1. Hyperfine interaction studies of radon in some metals and metal oxides with the alpha-gamma angular correlation method

    International Nuclear Information System (INIS)

    Orre, B.; Norlin, L.O.; Johansson, K.; Falk, F.; Thun, J.E.

    1975-11-01

    The α-γ angular correlation method has been applied to 226 Ra and 224 Ra decay with emphasis on source and backing preparations. A simple method to prepare sources suitable for hyperfine interaction studies has been developed, namely to implant the 224 Ra activity into the backing by recoil implantation in vacuum from a 228 Th source. A high voltage should be applied, which considerably improved the profile of the implantation. The hyperfine interactions in Fe,Co,Gd,Ni were measured and analysed according to a random static quadrupole interaction combined with an aligned magnetic interaction. (Auth.)

  2. Correlations of secondary pions produced in multinucleon interactions of π- mesons with carbon nuclei at 40 GeV/c

    International Nuclear Information System (INIS)

    Batskovich, S.; Grishin, V.G.; Jenik, L.; Kanarek, T.

    1979-01-01

    Values of correlation functions are obtained for two-and three particle inclusive processes in π - p, π - n and π -12 C collisions at p=40 GeV/c. The results are obtained while analyzing 9940 π - p, 3590 π - n and approximately 11000 π 12 C inelastic interactions. Correlation values are obtained for various combinations of charged particles. Correlation value at different values of Q is also given for π -12 C events, Q being equal to the difference of positive and negative pions in the given event. Azimuthal correlations are studied for π + π + , π + π - and π - π - pairs, produced in π - p, π - n and π -12 C interactions. The correlations were studied in various ranges of particle rates and at various values of Q. Experimental data on azimuthal correlations are tabulated. The results of correlation measurements over rates and azimuthal angle in π -12 C collisions confirm predictions of the additive quark model and contradict the eikonal model. Measurements of correlation functions is emphasized to be the most sensitive way providing a possibility to find out the source of correlation on nuclei

  3. The cortical spatiotemporal correlate of otolith stimulation: Vestibular evoked potentials by body translations.

    Science.gov (United States)

    Ertl, M; Moser, M; Boegle, R; Conrad, J; Zu Eulenburg, P; Dieterich, M

    2017-07-15

    The vestibular organ senses linear and rotational acceleration of the head during active and passive motion. These signals are necessary for bipedal locomotion, navigation, the coordination of eye and head movements in 3D space. The temporal dynamics of vestibular processing in cortical structures have hardly been studied in humans, let alone with natural stimulation. The aim was to investigate the cortical vestibular network related to natural otolith stimulation using a hexapod motion platform. We conducted two experiments, 1. to estimate the sources of the vestibular evoked potentials (VestEPs) by means of distributed source localization (n=49), and 2. to reveal modulations of the VestEPs through the underlying acceleration intensity (n=24). For both experiments subjects were accelerated along the main axis (left/right, up/down, fore/aft) while the EEG was recorded. We were able to identify five VestEPs (P1, N1, P2, N2, P3) with latencies between 38 and 461 ms as well as an evoked beta-band response peaking with a latency of 68 ms in all subjects and for all acceleration directions. Source localization gave the cingulate sulcus visual (CSv) area and the opercular-insular region as the main origin of the evoked potentials. No lateralization effects due to handedness could be observed. In the second experiment, area CSv was shown to be integral in the processing of acceleration intensities as sensed by the otolith organs, hinting at its potential role in ego-motion detection. These robust VestEPs could be used to investigate the mechanisms of inter-regional interaction in the natural context of vestibular processing and multisensory integration. Copyright © 2017 Elsevier Inc. All rights reserved.

  4. Motion perception tasks as potential correlates to driving difficulty in the elderly

    Science.gov (United States)

    Raghuram, A.; Lakshminarayanan, V.

    2006-09-01

    Changes in the demographics indicates that the population older than 65 is on the rise because of the aging of the ‘baby boom’ generation. This aging trend and driving related accident statistics reveal the need for procedures and tests that would assess the driving ability of older adults and predict whether they would be safe or unsafe drivers. Literature shows that an attention based test called the useful field of view (UFOV) was a significant predictor of accident rates compared to any other visual function tests. The present study evaluates a qualitative trend on using motion perception tasks as a potential visual perceptual correlates in screening elderly drivers who might have difficulty in driving. Data was collected from 15 older subjects with a mean age of 71. Motion perception tasks included—speed discrimination with radial and lamellar motion, time to collision using prediction motion and estimating direction of heading. A motion index score was calculated which was indicative of performance on all of the above-mentioned motion tasks. Scores on visual attention was assessed using UFOV. A driving habit questionnaire was also administered for a self report on the driving difficulties and accident rates. A qualitative trend based on frequency distributions show that thresholds on the motion perception tasks are successful in identifying subjects who reported to have had difficulty in certain aspects of driving and had accidents. Correlation between UFOV and motion index scores was not significant indicating that probably different aspects of visual information processing that are crucial to driving behaviour are being tapped by these two paradigms. UFOV and motion perception tasks together can be a better predictor for identifying at risk or safe drivers than just using either one of them.

  5. MRI findings and correlative study of MRI and visual evoked potentials in optic neuritis

    International Nuclear Information System (INIS)

    Yan Fei; Li Jing; Wang Zhenchang; Liu Shoubin; Zhang Xiaojun

    2008-01-01

    Objective: To investigate the effective MRI sequences and describe the correlation between MRI and visual evoked potential (VEP) in diagnosing optic neuritis. Methods: One hundred and fifty-four eyes with visual impairment of 98 patients with diagnoses of optic neuritis, papillitis, multiple sclerosis and Devic's disease underwent MRI and VEP examination. The MRI findings were analyzed and correlated with VEP results and clinical presentation by using X 2 test, wilco xon test and Kappa test. Results Out of the 154 sick eyes, 56 eyes presented thickened optic nerves, 76 eyes had normal diameter of the optic nerve, and 22 eyes had thin optic nerves. A total of 132 optic nerves showed abnormally high signal in STIR sequences, including involvement of intraocular segment in 7, intraorbital segment in 1.35, intracanalicular segment in 109, intracranial segment in 97, optic chiasm in 56, and optic tract in 23. A total of 54 patients underwent postcontrast MRI. Seventy-four optic nerves of 87 eyes showed enhancement. Among the 196 eyes of 98 patients, 132 eyes presented visual impairment and simultaneous abnormal MR signal of the optic nerve, and 26 eyes had both normal vision and normal MR signal of optic nerve. The consistency of MRI findings and vision status was 80. 61% (Kappa 0.453,P 1 -weighted MR sequence combined with fat- suppression are helpful in diagnosis of optic neuritis. VEP is helpful in diagnosing optic neuritis and in finding subclinical visual problem. The MRI combined with VEP could improve the diagnostic accuracy of optic neuritis. (authors)

  6. Clinically relevant potential drug-drug interactions among outpatients: A nationwide database study.

    Science.gov (United States)

    Jazbar, Janja; Locatelli, Igor; Horvat, Nejc; Kos, Mitja

    2018-06-01

    Adverse drug events due to drug-drug interactions (DDIs) represent a considerable public health burden, also in Slovenia. A better understanding of the most frequently occurring potential DDIs may enable safer pharmacotherapy and minimize drug-related problems. The aim of this study was to evaluate the prevalence and predictors of potential DDIs among outpatients in Slovenia. An analysis of potential DDIs was performed using health claims data on prescription drugs from a nationwide database. The Lexi-Interact Module was used as the reference source of interactions. The influence of patient-specific predictors on the risk of potential clinically relevant DDIs was evaluated using logistic regression model. The study population included 1,179,803 outpatients who received 15,811,979 prescriptions. The total number of potential DDI cases identified was 3,974,994, of which 15.6% were potentially clinically relevant. Altogether, 9.3% (N = 191,213) of the total population in Slovenia is exposed to clinically relevant potential DDIs, and the proportion is higher among women and the elderly. After adjustment for cofactors, higher number of medications and older age are associated with higher odds of clinically relevant potential DDIs. The burden of DDIs is highest with drug combinations that increase risk of bleeding, enhance CNS depression or anticholinergic effects or cause cardiovascular complications. The current study revealed that 1 in 10 individuals in the total Slovenian population is exposed to clinically relevant potential DDIs yearly. Taking into account the literature based conservative estimate that approximately 1% of potential DDIs result in negative health outcomes, roughly 1800 individuals in Slovenia experience an adverse health outcome each year as a result of clinically relevant potential interactions alone. Copyright © 2017 Elsevier Inc. All rights reserved.

  7. A new method to detect event-related potentials based on Pearson's correlation.

    Science.gov (United States)

    Giroldini, William; Pederzoli, Luciano; Bilucaglia, Marco; Melloni, Simone; Tressoldi, Patrizio

    2016-12-01

    Event-related potentials (ERPs) are widely used in brain-computer interface applications and in neuroscience.  Normal EEG activity is rich in background noise, and therefore, in order to detect ERPs, it is usually necessary to take the average from multiple trials to reduce the effects of this noise.  The noise produced by EEG activity itself is not correlated with the ERP waveform and so, by calculating the average, the noise is decreased by a factor inversely proportional to the square root of N , where N is the number of averaged epochs. This is the easiest strategy currently used to detect ERPs, which is based on calculating the average of all ERP's waveform, these waveforms being time- and phase-locked.  In this paper, a new method called GW6 is proposed, which calculates the ERP using a mathematical method based only on Pearson's correlation. The result is a graph with the same time resolution as the classical ERP and which shows only positive peaks representing the increase-in consonance with the stimuli-in EEG signal correlation over all channels.  This new method is also useful for selectively identifying and highlighting some hidden components of the ERP response that are not phase-locked, and that are usually hidden in the standard and simple method based on the averaging of all the epochs.  These hidden components seem to be caused by variations (between each successive stimulus) of the ERP's inherent phase latency period (jitter), although the same stimulus across all EEG channels produces a reasonably constant phase. For this reason, this new method could be very helpful to investigate these hidden components of the ERP response and to develop applications for scientific and medical purposes. Moreover, this new method is more resistant to EEG artifacts than the standard calculations of the average and could be very useful in research and neurology.  The method we are proposing can be directly used in the form of a process written in the well

  8. Investigating the Neural Correlates of Emotion–Cognition Interaction Using an Affective Stroop Task

    Directory of Open Access Journals (Sweden)

    Nora M. Raschle

    2017-09-01

    Full Text Available The human brain has the capacity to integrate various sources of information and continuously adapts our behavior according to situational needs in order to allow a healthy functioning. Emotion–cognition interactions are a key example for such integrative processing. However, the neuronal correlates investigating the effects of emotion on cognition remain to be explored and replication studies are needed. Previous neuroimaging studies have indicated an involvement of emotion and cognition related brain structures including parietal and prefrontal cortices and limbic brain regions. Here, we employed whole brain event-related functional magnetic resonance imaging (fMRI during an affective number Stroop task and aimed at replicating previous findings using an adaptation of an existing task design in 30 healthy young adults. The Stroop task is an indicator of cognitive control and enables the quantification of interference in relation to variations in cognitive load. By the use of emotional primes (negative/neutral prior to Stroop task performance, an emotional variation is added as well. Behavioral in-scanner data showed that negative primes delayed and disrupted cognitive processing. Trials with high cognitive demand furthermore negatively influenced cognitive control mechanisms. Neuronally, the emotional primes consistently activated emotion-related brain regions (e.g., amygdala, insula, and prefrontal brain regions while Stroop task performance lead to activations in cognition networks of the brain (prefrontal cortices, superior temporal lobe, and insula. When assessing the effect of emotion on cognition, increased cognitive demand led to decreases in neural activation in response to emotional stimuli (negative > neutral within prefrontal cortex, amygdala, and insular cortex. Overall, these results suggest that emotional primes significantly impact cognitive performance and increasing cognitive demand leads to reduced neuronal activation in

  9. Drivers potentially influencing host-bat fly interactions in anthropogenic neotropical landscapes at different spatial scales.

    Science.gov (United States)

    Hernández-Martínez, Jacqueline; Morales-Malacara, Juan B; Alvarez-Añorve, Mariana Yolotl; Amador-Hernández, Sergio; Oyama, Ken; Avila-Cabadilla, Luis Daniel

    2018-05-21

    The anthropogenic modification of natural landscapes, and the consequent changes in the environmental conditions and resources availability at multiple spatial scales can affect complex species interactions involving key-stone species such as bat-parasite interactions. In this study, we aimed to identify the drivers potentially influencing host-bat fly interactions at different spatial scales (at the host, vegetation stand and landscape level), in a tropical anthropogenic landscape. For this purpose, we mist-netted phyllostomid and moormopid bats and collected the bat flies (streblids) parasitizing them in 10 sites representing secondary and old growth forest. In general, the variation in fly communities largely mirrored the variation in bat communities as a result of the high level of specialization characterizing host-bat fly interaction networks. Nevertheless, we observed that: (1) bats roosting dynamics can shape bat-streblid interactions, modulating parasite prevalence and the intensity of infestation; (2) a degraded matrix could favor crowding and consequently the exchange of ectoparasites among bat species, lessening the level of specialization of the interaction networks and promoting novel interactions; and (3) bat-fly interaction can also be shaped by the dilution effect, as a decrease in bat diversity could be associated with a potential increase in the dissemination and prevalence of streblids.

  10. Interaction of antimicrobial preservatives with blow-fill-seal packs: correlating sorption with solubility parameters.

    Science.gov (United States)

    Amin, Aeshna; Dare, Manish; Sangamwar, Abhay; Bansal, Arvind Kumar

    2012-01-01

    The aim of this work was to study the interaction of four commonly used ophthalmic antimicrobial preservatives [benzyl alcohol (BA), chlorbutol (CBL), benzalkonium chloride (BKC), and chlorhexidine gluconate (CG)] with Blow-Fill-Seal (BFS) packs. Effect of packaging material [low-density polyethylene (LDPE), polypropylene (PP)], humidity (25% RH, 75% RH) and concentration (0.5, 1.0, 2.0 mM BA/CBL in LDPE) was studied. BKC and CG gave negligible loss (<4%) in BFS packs over a period of 3 months. BA and CBL, however, gave marked losses in LDPE (ca. 70-90%) and PP (ca. 7-25%) packs. Humidity did not have any effect on the sorption loss of any preservative. Loss of BA switched from Case II to anomalous behavior with increasing initial concentration. A two-stage sorption behavior was inherent at all concentrations. Loss of CBL followed anomalous behavior with biphasic kinetics of loss. It was concluded that all the four preservatives were appropriate for use in PP BFS packs. However, only BKC and CG were amenable to be used in LDPE BFS packs. Lastly, an empirical expression consisting of the "solubility parameter distance" and "molar volume" of preservatives was developed to correlate the preservative loss in LDPE with the physicochemical properties of the preservatives.

  11. Short range part of the NN interaction: Equivalent local potentials from quark exchange kernels

    International Nuclear Information System (INIS)

    Suzuk, Y.; Hecht, K.T.

    1983-01-01

    To focus on the nature of the short range part of the NN interaction, the intrinsically nonlocal interaction among the quark constituents of colorless nucleons is converted to an equivalent local potential using resonating group kernels which can be evaluated in analytic form. The WKB approximation based on the Wigner transform of the nonlocal kernels has been used to construct the equivalent potentials without recourse to the long range part of the NN interaction. The relative importance of the various components of the exchange kernels can be examined: The results indicate the importance of the color magnetic part of the exchange kernel for the repulsive part in the (ST) = (10), (01) channels, in particular since the energy dependence of the effective local potentials seems to be set by this term. Large cancellations of color Coulombic and quark confining contributions, together with the kinetic energy and norm exchange terms, indicate that the exact nature of the equivalent local potential may be sensitive to the details of the parametrization of the underlying quark-quark interaction. The equivalent local potentials show some of the characteristics of the phenomenological short range terms of the Paris potential

  12. Consensus validation of the POSAMINO (POtentially Serious Alcohol-Medication INteractions in Older adults) criteria.

    LENUS (Irish Health Repository)

    Holton, Alice E

    2017-11-08

    Older adults are particularly vulnerable to adverse effects from concurrent alcohol and medication use. However, there is limited evidence regarding the prevalence of these adverse outcomes among older adults, and there is a lack of consensus regarding what constitutes an alcohol-interactive medicine. The objective of this study was to develop an explicit list of potentially serious alcohol-medication interactions for use in older adults.

  13. The Bose-Einstein correlations in deep inelastic μp interactions at 280 GeV

    International Nuclear Information System (INIS)

    Arneodo, M.; Ferrero, M.I.; Maselli, S.; Peroni, C.; Bee, C.P.; Bird, I.; Coughlan, J.; Sloan, T.; Braun, H.; Brueck, H.; Drees, J.; Edwards, A.; Krueger, J.; Peschel, H.; Poetsch, M.; Dreyer, T.; Ernst, T.; Haas, J.; Kabuss, E.M.; Landgraf, U.; Mohr, W.; Rith, K.; Schlagboehmer, A.; Schroeder, T.; Stier, H.E.; Wallucks, W.; Geddes, N.; Johnson, A.S.; Loken, J.; Long, K.; Renton, P.; Taylor, G.N.; Williams, W.S.C.; Grard, F.; Windmolders, R.

    1986-01-01

    The Bose-Einstein correlation has been observed for pions in deep inelastic μp interactions at 280 GeV. The importance of non-interference correlations in the sample of like charge pion pairs and in the sample used for reference is discussed. The pion emission region is found to be roughly spherical in the pair rest frame with a radius of 0.46-0.84 fm and the chaos factor lambda is 0.60-1.08. (orig.)

  14. Evoked related potentials correlates of empathy for pain from adolescence through adulthood

    Directory of Open Access Journals (Sweden)

    Nathalie eMella

    2012-11-01

    Full Text Available Affective and cognitive empathy are traditionally differentiated, the affective component being concerned with resonating with another’s emotional state, whereas the cognitive component reflects regulation of the resulting distress and understanding of another’s mental states (see Decety and Jackson, 2004 for a review. Adolescence is a critical period for the development of cognitive control processes necessary to regulate affective processes: it is only in young adulthood that these control processes achieve maturity (Steinberg, 2005. Thus, one should expect adolescents to show greater automatic empathy than young adults. The present study aimed at exploring the neural correlates of affective (automatic and cognitive empathy for pain from adolescence to young adulthood. With this aim, Event Related Potentials (ERPs were recorded in 32 participants (aged 11 to 39 in a task designed to dissociate these components. ERPs results showed an early automatic frontocentral response to pain (that was not modulated by task demand and a late parietal response to painful stimuli modulated by attention to pain cues. Adolescents exhibited earlier automatic responses to painful situations than young adults did and showed greater activity in the late cognitive component even when viewing neutral stimuli. Results are discussed in the context of the development of regulatory abilities during adolescence.

  15. Correlations between Natural Radionuclide Concentrations in Soil and Vine-Growth Potential

    International Nuclear Information System (INIS)

    Modisane, T.G.D.

    2008-01-01

    Stellenbosch district is known as one of the best wine-producing regions in South Africa and lies 45 km east of Cape Town. It has a large number of estates, of which one of them was earmarked for vineyard development and is of much importance to this study. Soil plays an important role in the development of the vine and ultimately the grapes harvested from the vine. It is therefore important to characterise vineyard soils (quantitatively and qualitatively) and to study the impact of soil properties on the vine. These properties include among others and of importance to this study, the soil ph, concentrations of trace elements, clay content and natural radioactivity concentrations (1). In this study correlations between radiometric data and traditional chemical data in vineyard soils used to infer growth potential were studied. Discussed below are experimental techniques used in the determination of activity concentration of natural radionuclide ( 40 K, 232 Th and 238 U) in soil, data analysis, results and conclusions

  16. Event-related potential correlates of suspicious thoughts in individuals with schizotypal personality features.

    Science.gov (United States)

    Li, Xue-bing; Huang, Jia; Cheung, Eric F C; Gong, Qi-yong; Chan, Raymond C K

    2011-01-01

    Suspiciousness is a common feature of schizophrenia. However, suspicious thoughts are also commonly experienced by the general population. This study aimed to examine the underlying neural mechanism of suspicious thoughts in individuals with and without schizotypal personality disorder (SPD)-proneness, using an event-related potential (ERP) paradigm. Electroencephalography (EEG) was recorded when the "feeling of being seen through" was evoked in the participants. The findings showed a prominent positive deflection of the difference wave within the time window 250-400 ms after stimuli presentation in both SPD-prone and non-SPD-prone groups. Furthermore, the P3 amplitude was significantly reduced in the SPD-prone group compared to the non-SPD-prone group. The current density analysis also indicated hypoactivity in both frontal and temporal regions in the SPD-prone group, suggesting that the frontotemporal cortical network may play a role in the onset of suspicious thoughts. The P3 of difference wave was inversely correlated with the cognitive-perception factor and the suspiciousness/paranoid ideation trait, which provided preliminary electrophysiological evidence for the association of suspiciousness with SPD features.

  17. Enhancement of nitrosourea cytotoxicity by misonidazole in vitro: correlation with carbamoylating potential.

    Science.gov (United States)

    Mulcahy, R. T.; Dembs, N. L.; Ublacker, G. A.

    1984-01-01

    We have investigated the relationships between nitrosourea structure and physicochemical properties and the ability of misonidazole (MISO) to potentiate nitrosourea cytotoxicity in an in vitro model system. EMT-6/Ro tumour cells were exposed in suspension to each of 9 different nitrosourea anti-tumour drugs under hypoxic and aerobic culture conditions. Additional cultures were similarly treated with nitrosoureas in the presence of 1.0 mM MISO. Seven of the 9 nitrosoureas did not demonstrate any selective toxicity toward aerobic or hypoxic cells. In contrast, chlorozotocin (CHLZ) was slightly more toxic toward hypoxic cells while Bis-OH CyNU more effectively killed aerobic cells. The addition of MISO to the drug treatment enhanced the effectiveness of all the nitrosoureas under hypoxic conditions, with the exception of CHLZ which was uninfluenced by MISO. The magnitude of the MISO dose enhancement factor (DEF, defined as the ratio of drug doses required to reduce cell survival to S = 10(-3) in 4 hours in the absence and presence of 1.0 mM MISO) for each combination was examined as a function of the relative carbamoylating or alkylating activity of the nitrosourea included in that combination. Such an analysis revealed a significant (P less than 0.05) positive correlation between relative carbamoylating potency and DEF. No significant (P greater than 0.20) relationship could be established for DEF and alkylating activity. PMID:6704305

  18. Evolutionary potential of root chemical defense: genetic correlations with shoot chemistry and plant growth.

    Science.gov (United States)

    Parker, J D; Salminen, J-P; Agrawal, Anurag A

    2012-08-01

    Root herbivores can affect plant fitness, and roots often contain the same secondary metabolites that act as defenses in shoots, but the ecology and evolution of root chemical defense have been little investigated. Here, we investigated genetic variance, heritability, and correlations among defensive phenolic compounds in shoot vs. root tissues of common evening primrose, Oenothera biennis. Across 20 genotypes, there were roughly similar concentrations of total phenolics in shoots vs. roots, but the allocation of particular phenolics to shoots vs. roots varied along a continuum of genotype growth rate. Slow-growing genotypes allocated 2-fold more of the potential pro-oxidant oenothein B to shoots than roots, whereas fast-growing genotypes had roughly equivalent above and belowground concentrations. Phenolic concentrations in both roots and shoots were strongly heritable, with mostly positive patterns of genetic covariation. Nonetheless, there was genotype-specific variation in the presence/absence of two major ellagitannins (oenothein A and its precursor oenothein B), indicating two different chemotypes based on alterations in this chemical pathway. Overall, the presence of strong genetic variation in root defenses suggests ample scope for the evolution of these compounds as defenses against root herbivores.

  19. Neurophysiological correlates of response inhibition predict relapse in detoxified alcoholic patients: some preliminary evidence from event-related potentials

    Directory of Open Access Journals (Sweden)

    Petit G

    2014-06-01

    Full Text Available Géraldine Petit, Agnieszka Cimochowska, Charles Kornreich, Catherine Hanak, Paul Verbanck, Salvatore CampanellaLaboratory of Psychological Medicine and Addictology, ULB Neuroscience Institute (UNI, Université Libre de Bruxelles (ULB, Brussels, BelgiumBackground: Alcohol dependence is a chronic relapsing disease. The impairment of response inhibition and alcohol-cue reactivity are the main cognitive mechanisms that trigger relapse. Despite the interaction suggested between the two processes, they have long been investigated as two different lines of research. The present study aimed to investigate the interaction between response inhibition and alcohol-cue reactivity and their potential link with relapse.Materials and methods: Event-related potentials were recorded during a variant of a “go/no-go” task. Frequent and rare stimuli (to be inhibited were superimposed on neutral, nonalcohol-related, and alcohol-related contexts. The task was administered following a 3-week detoxification course. Relapse outcome was measured after 3 months, using self-reported abstinence. There were 27 controls (seven females and 27 patients (seven females, among whom 13 relapsed during the 3-month follow-up period. The no-go N2, no-go P3, and the “difference” wave (P3d were examined with the aim of linking neural correlates of response inhibition on alcohol-related contexts to the observed relapse rate.Results: Results showed that 1 at the behavioral level, alcohol-dependent patients made significantly more commission errors than controls (P<0.001, independently of context; 2 through the subtraction no-go P3 minus go P3, this inhibition deficit was neurophysiologically indexed in patients with greater P3d amplitudes (P=0.034; and 3 within the patient group, increased P3d amplitude enabled us to differentiate between future relapsers and nonrelapsers (P=0.026.Conclusion: Our findings suggest that recently detoxified alcoholics are characterized by poorer

  20. Virus-Bacteria Interactions: Implications and Potential for the Applied and Agricultural Sciences.

    Science.gov (United States)

    Moore, Matthew D; Jaykus, Lee-Ann

    2018-02-02

    Eukaryotic virus-bacteria interactions have recently become an emerging topic of study due to multiple significant examples related to human pathogens of clinical interest. However, such omnipresent and likely important interactions for viruses and bacteria relevant to the applied and agricultural sciences have not been reviewed or compiled. The fundamental basis of this review is that these interactions have importance and deserve more investigation, as numerous potential consequences and applications arising from their discovery are relevant to the applied sciences. The purpose of this review is to highlight and summarize eukaryotic virus-bacteria findings in the food/water, horticultural, and animal sciences. In many cases in the agricultural sciences, mechanistic understandings of the effects of virus-bacteria interactions remain unstudied, and many studies solely focus on co-infections of bacterial and viral pathogens. Given recent findings relative to human viral pathogens, further research related to virus-bacteria interactions would likely result in numerous discoveries and beneficial applications.

  1. [Potential antimicrobial drug interactions in clinical practice: consequences of polypharmacy and multidrug resistance].

    Science.gov (United States)

    Martínez-Múgica, Cristina

    2015-12-01

    Polypharmacy is a growing problem nowadays, which can increase the risk of potential drug interactions, and result in a loss of effectiveness. This is particularly relevant to the anti-infective therapy, especially when infection is produced by resistant bacteria, because therapeutic options are limited and interactions can cause treatment failure. All antimicrobial prescriptions were retrospectively reviewed during a week in the Pharmacy Department, in order to detect potential drug-interactions and analysing their clinical significance. A total of 314 antimicrobial prescriptions from 151 patients were checked. There was at least one potential interaction detected in 40% of patients, being more frequent and severe in those infected with multidrug-resistant microorganisms. Drugs most commonly involved were quinolones, azoles, linezolid and vancomycin. Potential drug interactions with antimicrobial agents are a frequent problem that can result in a loss of effectiveness. This is why they should be detected and avoided when possible, in order to optimize antimicrobial therapy, especially in case of multidrug resistant infections.

  2. Study of various models of nuclear interaction potentials: nucleon-nucleus and nucleus-nucleus systems

    International Nuclear Information System (INIS)

    Ngo, H.

    1984-01-01

    Several models, performed within a mean field theory, are developed for the calculation of nucleon-nucleus interaction potentials. The first part of the thesis deals with the nucleon-nucleus average interaction. It is mainly devoted to the calculation of dynamical corrections to the Hartree-Fock approximation. Two approaches are used: a microscopic model performed in the framework of the nuclear structure approach and a semi-phenomenological one, based on the application of the dispersion relations to the empirical imaginary potential. Both models take into account finite size effects like collectivity or threshold effects which are important at low energy. The Green's function properties are used for both models. The second part of this work is devoted to the interaction potential between two heavy ions. This calculation, which is performed in the framework of the sudden approximation, uses the energy density formalism (Thomas-Fermi approximation). It has been extended to finite temperature. At T=0 the experimental fusion barriers of heavy systems are reproduced within 4%. Their temperature dependence is studied. The proximity scaling is checked and a universal function is obtained at T=0 and at finite temperature. It is found that the proximity theorem is well satisfied on the average. The dispersion around the mean behaviour increases with increasing temperature. At last, P+A* and α+A* interaction potentials are calculated within a double folding model using a schematic effective interaction [fr

  3. Intermolecular interaction of thiosemicarbazone derivatives to solvents and a potential Aedes aegypti target

    Science.gov (United States)

    da Silva, João Bosco P.; Hallwass, Fernando; da Silva, Aluizio G.; Moreira, Diogo Rodrigo; Ramos, Mozart N.; Espíndola, José Wanderlan P.; de Oliveira, Ana Daura T.; Brondani, Dalci José; Leite, Ana Cristina L.; Merz, Kenneth M.

    2015-08-01

    DFT calculations were used to access information about structure, energy and electronic properties of series of phenyl- and phenoxymethyl-(thio)semicarbazone derivatives with demonstrated activity against the larvae of Aedes aegypti in stage L4. The way as the thiosemicarbazone derivatives can interact with solvents like DMSO and water were analyzed from the comparison between calculated and experimental 1H NMR chemical shifts. The evidences of thiosemicarbazone derivatives making H-bond interaction to solvent have provide us insights on how they can interact with a potential A. aegypti's biological target, the Sterol Carrier Protein-2.

  4. Evaluation of the Stillinger-Weber classical interaction potential for tetragonal semiconductors in nonideal atomic configurations

    International Nuclear Information System (INIS)

    Dodson, B.W.

    1986-01-01

    A classical potential incorporating two- and three-body interaction terms has recently been introduced by Stillinger and Weber (SW) for simulation of the liquefaction transition of silicon. The equilibrium mechanical properties of this potential are determined and found to agree well with experimental values. The potential also seems to be adequate for problems involving computation of defect energies, such as the stability of strained-layer superlattice interfaces. However, inadequate treatment of configurations with low coordination number makes modeling of the epitaxial growth of (111) silicon impossible. Simple modifications of the SW potential form do allow for (111) epitaxial growth, but the earliest stages of growth then become unphysical

  5. Temperature-dependent optical potential and mean free path based on Skyrme interactions

    International Nuclear Information System (INIS)

    Ge Lingxiao; Zhuo Yizhong; Noerenberg, W.; Technische Hochschule Darmstadt

    1986-03-01

    Optical potentials and mean free paths of nucleons at finite temperatures are studied by utilizing effective Skyrme interactions which yield 'good' optical potentials at zero temperature. The results for nuclear matter (symmetric and asymmetric) are applied within the local density approximation of finite nuclei at various temperatures. Because of the limitation due to zero-range forces used and the assumptions of temperature independent nuclear densities and effective Skyrme interactions made, the calculations are expected to be limited to nucleon energies between 10 and 50 MeV above the Fermi energy and to nuclear temperatures of less than 8 MeV. (orig.)

  6. Interaction of arbuscular mycorrhizal symbionts with arsenic and other potentially toxic elements

    International Nuclear Information System (INIS)

    Khairuddin Abdul Rahim

    2000-01-01

    The response of arbuscular mycorrhizal (AM) symbionts to arsenic, and arsenic interactions with phosphorus and potentially toxic elements (PTEs) in soils from a former arsenic mine, the Devon Great Consols, were investigated. The objective was to determine whether AM associations ameliorate arsenic toxicity in Plantago lanceolata and Agrostis capillaris, plants commonly found at abandoned mines. An exploratory investigation indicated the richness in biodiversity of AMF that colonised plants growing at the site. Arsenic was found at high concentrations and was strongly associated with copper and iron. P. lanceolata was always colonised by AMF, while colonisation of A. capillaris was variable. There was no evidence in the field of soil pH or PTEs influencing AMF colonisation and spore density. There was no strong correlation between arsenic content in plant and available arsenic, obtained through various extraction methods. Spore germination and infectivity in the mine soils were strongly influenced by the AMF genotype and to a lesser extent by the soil environment. P. lanceolata and A. capillaris root growth was inhibited at arsenic concentrations of ≥50 μg g -1 in agar. Bioavailability experiments using mine soils and Terra-Green TM (calcined attapulgite) spiked with sodium arsenate gave no evidence that AMF-colonised plants translocated less arsenic to the shoots. Plants accumulated more arsenic in their roots than in their shoots, whether they were colonised by AMF or not. The A. capillaris genotype used in the present study translocated less of both arsenic and phosphorus to its shoots than P. lanceolata. High available phosphorus in Terra-Green TM protected plants against arsenic toxicity, at -1 As. There was evidence for inhibition by arsenic in AMF colonisation of roots. For quantifying AMF extra radical hyphae contribution to arsenic transportation from growth medium to plant using a compartmented pot system, the use of low phosphorus medium and a longer

  7. [Internet addiction disorder and social networks: statistical analysis of correlation and study of the association with social interaction anxiousness].

    Science.gov (United States)

    Rusconi, Anna Carlotta; Valeriani, Giuseppe; Carlone, Cristiano; Raimondo, Pasquale; Quartini, Adele; Coccanari de' Fornari, Maria Antonietta; Biondi, Massimo

    2012-01-01

    Internet Addiction Disorder (IAD) is an emerging psychiatric disorder, assimilable to impulse control problems and related to maladaptive use of new networks and social and virtual technologies. Our study aims to analyze the presence of IAD among adolescents and to study the correlation with social interaction anxiousness. We investigated also the possibility that the Social Network (SN) represent a source of risk for the development of IAD. The test group was composed of 250 subjects, aged between 14 and 18 years. They were administered: Young's IAT; IAS (Interaction Anxiousness Scale), AAS (Audience Anxiousness Scale) and SISST (Social Interaction Self-Statement Test) to analyze the dimension of social interaction anxiousness. We found a rate of 2% of the IAD. The SN are the most common use of the Net in our sample, but not the most clicked sites by subjects with IAD. It should be noted, finally, a correlation between social interaction anxiety and IAD, but not a significant difference in scores of social anxiousness scales based on the SN use/non-use. The use of SN intended as single variable doesn't correlate with increased risk for IAD, or for increased social interaction anxiousness. However, if associated with prolonged use of the net for 5-6 hours or more, or concomitant use of chat rooms and/or net gambling, we find a more significant risk of psychopathology. The data presented require further investigations, in order to guide new pathogenetic models and appropriate intervention strategies.

  8. Repulsive baryonic interactions and lattice QCD observables at imaginary chemical potential

    Directory of Open Access Journals (Sweden)

    Volodymyr Vovchenko

    2017-12-01

    Full Text Available The first principle lattice QCD methods allow to calculate the thermodynamic observables at finite temperature and imaginary chemical potential. These can be compared to the predictions of various phenomenological models. We argue that Fourier coefficients with respect to imaginary baryochemical potential are sensitive to modeling of baryonic interactions. As a first application of this sensitivity, we consider the hadron resonance gas (HRG model with repulsive baryonic interactions, which are modeled by means of the excluded volume correction. The Fourier coefficients of the imaginary part of the net-baryon density at imaginary baryochemical potential – corresponding to the fugacity or virial expansion at real chemical potential – are calculated within this model, and compared with the Nt=12 lattice data. The lattice QCD behavior of the first four Fourier coefficients up to T≃185 MeV is described fairly well by an interacting HRG with a single baryon–baryon eigenvolume interaction parameter b≃1 fm3, while the available lattice data on the difference χ2B−χ4B of baryon number susceptibilities is reproduced up to T≃175 MeV. Keywords: Hadron resonance gas, Excluded volume, Imaginary chemical potential

  9. Forward-backward correlations in pp interactions in a dual model

    International Nuclear Information System (INIS)

    Fialkowsky, K.; Kotanski, A.; Uniwersytet Jagiellonski, Krakow

    1982-01-01

    Forward-backward correlations in lepton and hadron induced processes are compared according to the dual model. It is indicated that the effect of the chain energy spread in hadron processes is important. After including this effect the model is shown to explain the forward-backward correlations in pp data assuming no dynamical correlations within a single chain. (orig.)

  10. A general transformation to canonical form for potentials in pairwise interatomic interactions.

    Science.gov (United States)

    Walton, Jay R; Rivera-Rivera, Luis A; Lucchese, Robert R; Bevan, John W

    2015-06-14

    A generalized formulation of explicit force-based transformations is introduced to investigate the concept of a canonical potential in both fundamental chemical and intermolecular bonding. Different classes of representative ground electronic state pairwise interatomic interactions are referenced to a chosen canonical potential illustrating application of such transformations. Specifically, accurately determined potentials of the diatomic molecules H2, H2(+), HF, LiH, argon dimer, and one-dimensional dissociative coordinates in Ar-HBr, OC-HF, and OC-Cl2 are investigated throughout their bound potentials. Advantages of the current formulation for accurately evaluating equilibrium dissociation energies and a fundamentally different unified perspective on nature of intermolecular interactions will be emphasized. In particular, this canonical approach has significance to previous assertions that there is no very fundamental distinction between van der Waals bonding and covalent bonding or for that matter hydrogen and halogen bonds.

  11. Enhancing non-local correlations in the bipartite partitions of two qubit-system with non-mutual interaction

    Energy Technology Data Exchange (ETDEWEB)

    Mohamed, A.-B.A., E-mail: abdelbastm@yahoo.com [College of Sciences and Humanities, Prince Sattam Bin Abdulaziz University, Al-Aflaj (Saudi Arabia); Faculty of Science, Assiut University, Assiut (Egypt); Joshi, A., E-mail: mcbamji@gmail.com [Physics Department, Adelphi University Garden City, NY 11530 (United States); Department of Physics and Optical Engineering, RHIT, Terra Haute IN 47803 (United States); Hassan, S.S., E-mail: shoukryhassan@hotmail.com [Department of Mathematics, College of Science, University of Bahrain, P.O. Box 32038 (Bahrain)

    2016-03-15

    Several quantum-mechanical correlations, notably, quantum entanglement, measurement-induced nonlocality and Bell nonlocality are studied for a two qubit-system having no mutual interaction. Analytical expressions for the measures of these quantum-mechanical correlations of different bipartite partitions of the system are obtained, for initially two entangled qubits and the two photons are in their vacuum states. It is found that the qubits-fields interaction leads to the loss and gain of the initial quantum correlations. The lost initial quantum correlations transfer from the qubits to the cavity fields. It is found that the maximal violation of Bell’s inequality is occurring when the quantum correlations of both the logarithmic negativity and measurement-induced nonlocality reach particular values. The maximal violation of Bell’s inequality occurs only for certain bipartite partitions of the system. The frequency detuning leads to quick oscillations of the quantum correlations and inhibits their transfer from the qubits to the cavity modes. It is also found that the dynamical behavior of the quantum correlation clearly depends on the qubit distribution angle.

  12. Genes: Interactions with Language on Three Levels—Inter-Individual Variation, Historical Correlations and Genetic Biasing

    Science.gov (United States)

    Dediu, Dan

    The complex inter-relationships between genetics and linguistics encompass all four scales highlighted by the contributions to this book and, together with cultural transmission, the genetics of language holds the promise to offer a unitary understanding of this fascinating phenomenon. There are inter-individual differences in genetic makeup which contribute to the obvious fact that we are not identical in the way we understand and use language and, by studying them, we will be able to both better treat and enhance ourselves. There are correlations between the genetic configuration of human groups and their languages, reflecting the historical processes shaping them, and there also seem to exist genes which can influence some characteristics of language, biasing it towards or against certain states by altering the way language is transmitted across generations. Besides the joys of pure knowledge, the understanding of these three aspects of genetics relevant to language will potentially trigger advances in medicine, linguistics, psychology or the understanding of our own past and, last but not least, a profound change in the way we regard one of the emblems of being human: our capacity for language.

  13. Direct correlation between potentiometric and impedance biosensing of antibody-antigen interactions using an integrated system

    Science.gov (United States)

    Tsai, Meng-Yen; Creedon, Niamh; Brightbill, Eleanor; Pavlidis, Spyridon; Brown, Billyde; Gray, Darren W.; Shields, Niall; Sayers, Ríona; Mooney, Mark H.; O'Riordan, Alan; Vogel, Eric M.

    2017-08-01

    A fully integrated system that combines extended gate field-effect transistor (EGFET)-based potentiometric biosensors and electrochemical impedance spectroscopy (EIS)-based biosensors has been demonstrated. This integrated configuration enables the sequential measurement of the same immunological binding event on the same sensing surface and consequently sheds light on the fundamental origins of sensing signals produced by FET and EIS biosensors, as well as the correlation between the two. Detection of both the bovine serum albumin (BSA)/anti-BSA model system in buffer solution and bovine parainfluenza antibodies in complex blood plasma samples was demonstrated using the integrated biosensors. Comparison of the EGFET and EIS sensor responses reveals similar dynamic ranges, while equivalent circuit modeling of the EIS response shows that the commonly reported total impedance change (ΔZtotal) is dominated by the change in charge transfer resistance (Rct) rather than surface capacitance (Csurface). Using electrochemical kinetics and the Butler-Volmer equation, we unveil that the surface potential and charge transfer resistance, measured by potentiometric and impedance biosensors, respectively, are, in fact, intrinsically linked. This observation suggests that there is no significant gain in using the FET/EIS integrated system and leads to the demonstration that low-cost EGFET biosensors are sufficient as a detection tool to resolve the charge information of biomolecules for practical sensing applications.

  14. Potential drug-drug interactions with direct oral anticoagulants in elderly hospitalized patients.

    Science.gov (United States)

    Forbes, Heather L; Polasek, Thomas M

    2017-10-01

    To determine the prevalence and nature of potential drug-drug interactions (DDIs) with direct oral anticoagulants (DOACs) in elderly hospitalized patients. This was a retrospective observational study. Inclusion criteria were: aged over 65 years; taking apixaban, rivaroxaban or dabigatran; and admitted to the Repatriation General Hospital between April 2014 and July 2015. A list of clinically relevant 'perpetrator' drugs was compiled from product information, the Australian Medicines Handbook, the Australian National Prescribing Service resources, and local health network guidelines. The prevalence and nature of potential DDIs with DOACs was determined by comparing inpatient drug charts with the list of perpetrator drugs. There were 122 patients in the study with a mean age of 82 years. Most patients had nonvalvular atrial fibrillation and were taking DOACs to prevent thrombotic stroke (83%). Overall, 45 patients (37%) had a total of 54 potential DDIs. Thirty-five patients had potential pharmacodynamic DDIs with antidepressants, nonsteroidal anti-inflammatory drugs and antiplatelets (35/122, 29%). Nineteen patients had potential pharmacokinetic DDIs (19/122, 16%). Of these, 68% (13/19) were taking drugs that increase DOAC plasma concentrations (amiodarone, erythromycin, diltiazem or verapamil) and 32% (6/19) were taking drugs that decrease DOAC plasma concentrations (carbamazepine, primidone or phenytoin). There were no cases of patients taking contraindicated interacting drugs. Potential DDIs with DOACs in elderly hospital inpatients are relatively common, particularly interactions that may increase the risk of bleeding. The risk-benefit ratio of DOACs in elderly patients on polypharmacy should always be carefully considered.

  15. Event-related brain potentials in memory: correlates of episodic, semantic and implicit memory.

    Science.gov (United States)

    Wieser, Stephan; Wieser, Heinz Gregor

    2003-06-01

    To study cognitive evoked potentials, recorded from scalp EEG and foramen ovale electrodes, during activation of explicit and implicit memory. The subgroups of explicit memory, episodic and semantic memory, are looked at separately. A word-learning task was used, which has been shown to activate hippocampus in H(2)(15)O positron emission tomography studies. Subjects had to study and remember word pairs using different learning strategies: (i) associative word learning (AWL), which activates the episodic memory, (ii) deep single word encoding (DSWE), which activates the semantic memory, and (iii) shallow single word encoding (SSWE), which activates the implicit memory and serves as a baseline. The test included the 'remember/know' paradigm as a behavioural learning control. During the task condition, a 10-20 scalp EEG with additional electrodes in both temporal lobes regions was recorded from 11 healthy volunteers. In one patient with mesiotemporal lobe epilepsy, the EEG was recorded from bilateral foramen ovale electrodes directly from mesial temporal lobe structures. Event-related potentials (ERPs) were calculated off-line and visual and statistical analyses were made. Associative learning strategy produced the best memory performance and the best noetic awareness experience, whereas shallow single word encoding produced the worst performance and the smallest noetic awareness. Deep single word encoding performance was in between. ERPs differed according to the test condition, during both encoding and retrieval, from both the scalp EEG and the foramen ovale electrode recordings. Encoding showed significant differences between the shallow single word encoding (SSWE), which is mainly a function of graphical characteristics, and the other two strategies, deep single word (DSWE) and associative learning (AWL), in which there is a semantic processing of the meaning. ERPs generated by these two categories, which are both functions of explicit memory, differed as well

  16. Event-related potential correlates of paranormal ideation and unusual experiences.

    Science.gov (United States)

    Sumich, Alex; Kumari, Veena; Gordon, Evian; Tunstall, Nigel; Brammer, Michael

    2008-01-01

    Separate dimensions of schizotypy have been differentially associated with electrophysiological measures of brain function, and further shown to be modified by sex/gender. We investigated event-related potential (ERP) correlates of two subdimensions of positive schizotypy, paranormal ideation (PI) and unusual experiences (UEs). Seventy-two individuals with no psychiatric diagnosis (men=36) completed self-report measures of UE and PI and performed an auditory oddball task. Average scores for N100, N200 and P300 amplitudes were calculated for left and right anterior, central and posterior electrode sites. Multiple linear regression was used to examine the relationships between the measures of schizotypy and ERPs across the entire sample, as well as separately according to sex. PI was inversely associated with P300 amplitude at left-central sites across the entire sample, and at right-anterior electrodes in women only. Right-anterior P300 and right-posterior N100 amplitudes were negatively associated with UE in women only. Across the entire sample, UE was negatively associated with left-central N100 amplitude, and positively associated with left-anterior N200 amplitude. These results provide support from electrophysiological measures for the fractionation of the positive dimension of schizotypy into subdimensions of PI and UE, and lend indirect support to dimensional or quasidimensional conceptions of psychosis. More specifically, they suggest that PI may be associated with alteration in contextual updating processes, and that UE may reflect altered sensory/early-attention (N100) mechanisms. The sex differences observed are consistent with those previously observed in individuals with schizophrenia.

  17. Long interspersed nuclear element-1 hypomethylation and oxidative stress: correlation and bladder cancer diagnostic potential.

    Directory of Open Access Journals (Sweden)

    Maturada Patchsung

    Full Text Available Although, increased oxidative stress and hypomethylation of long interspersed nuclear element-1 (LINE-1 associate with bladder cancer (BCa development, the relationship between these alterations is unknown. We evaluated the oxidative stress and hypomethylation of the LINE-1 in 61 BCa patients and 45 normal individuals. To measure the methylation levels and to differentiate the LINE-1 loci into hypermethylated, partially methylated and hypomethylated, peripheral blood cells, urinary exfoliated cells and cancerous tissues were evaluated by combined bisulfite restriction analysis PCR. The urinary total antioxidant status (TAS and plasma protein carbonyl content were determined. The LINE-1 methylation levels and patterns, especially hypomethylated loci, in the blood and urine cells of the BCa patients were different from the levels and patterns in the healthy controls. The urinary TAS was decreased, whereas the plasma protein carbonyl content was increased in the BCa patients relative to the controls. A positive correlation between the methylation of LINE-1 in the blood-derived DNA and urinary TAS was found in both the BCa and control groups. The urinary hypomethylated LINE-1 loci and the plasma protein carbonyl content provided the best diagnostic potential for BCa prediction. Based on post-diagnostic samples, the combination test improved the diagnostic power to a sensitivity of 96% and a specificity of 96%. In conclusion, decreased LINE-1 methylation is associated with increased oxidative stress both in healthy and BCa subjects across the various tissue types, implying a dose-response association. Increases in the LINE-1 hypomethylation levels and the number of hypomethylated loci in both the blood- and urine-derived cells and increase in the oxidative stress were found in the BCa patients. The combination test of the urinary hypomethylated LINE-1 loci and the plasma protein carbonyl content may be useful for BCa screening and monitoring of

  18. Comparison of Leptospira interrogans and Leptospira biflexa genomes: analysis of potential leptospiral-host interactions.

    Science.gov (United States)

    Mehrotra, Prachi; Ramakrishnan, Gayatri; Dhandapani, Gunasekaran; Srinivasan, Narayanaswamy; Madanan, Madathiparambil G

    2017-05-02

    Leptospirosis, a potentially life-threatening disease, remains the most widespread zoonosis caused by pathogenic species of Leptospira. The pathogenic spirochaete, Leptospira interrogans, is characterized by its ability to permeate human host tissues rapidly and colonize multiple organs in the host. In spite of the efforts taken to comprehend the pathophysiology of the pathogen and the heterogeneity posed by L. interrogans, the current knowledge on the mechanism of pathogenesis is modest. In an attempt to contribute towards the same, we demonstrate the use of an established structure-based protocol coupled with information on subcellular localization of proteins and their tissue-specificity, in recognizing a set of 49 biologically feasible interactions potentially mediated by proteins of L. interrogans in humans. We have also presented means to adjudge the physicochemical viability of the predicted host-pathogen interactions, for selected cases, in terms of interaction energies and geometric shape complementarity of the interacting proteins. Comparative analyses of proteins of L. interrogans and the saprophytic spirochaete, Leptospira biflexa, and their predicted involvement in interactions with human hosts, aided in underpinning the functional relevance of leptospiral-host protein-protein interactions specific to L. interrogans as well as those specific to L. biflexa. Our study presents characteristics of the pathogenic L. interrogans that are predicted to facilitate its ability to persist in human hosts.

  19. Potential effect of cationic liposomes on interactions with oral bacterial cells and biofilms.

    Science.gov (United States)

    Sugano, Marika; Morisaki, Hirobumi; Negishi, Yoichi; Endo-Takahashi, Yoko; Kuwata, Hirotaka; Miyazaki, Takashi; Yamamoto, Matsuo

    2016-01-01

    Although oral infectious diseases have been attributed to bacteria, drug treatments remain ineffective because bacteria and their products exist as biofilms. Cationic liposomes have been suggested to electrostatically interact with the negative charge on the bacterial surface, thereby improving the effects of conventional drug therapies. However, the electrostatic interaction between oral bacteria and cationic liposomes has not yet been examined in detail. The aim of the present study was to examine the behavior of cationic liposomes and Streptococcus mutans in planktonic cells and biofilms. Liposomes with or without cationic lipid were prepared using a reverse-phase evaporation method. The zeta potentials of conventional liposomes (without cationic lipid) and cationic liposomes were -13 and 8 mV, respectively, and both had a mean particle size of approximately 180 nm. We first assessed the interaction between liposomes and planktonic bacterial cells with a flow cytometer. We then used a surface plasmon resonance method to examine the binding of liposomes to biofilms. We confirmed the binding behavior of liposomes with biofilms using confocal laser scanning microscopy. The interactions between cationic liposomes and S. mutans cells and biofilms were stronger than those of conventional liposomes. Microscopic observations revealed that many cationic liposomes interacted with the bacterial mass and penetrated the deep layers of biofilms. In this study, we demonstrated that cationic liposomes had higher affinity not only to oral bacterial cells, but also biofilms than conventional liposomes. This electrostatic interaction may be useful as a potential drug delivery system to biofilms.

  20. The potential of protein-nanomaterial interaction for advanced drug delivery.

    Science.gov (United States)

    Peng, Qiang; Mu, Huiling

    2016-03-10

    Nanomaterials, like nanoparticles, micelles, nano-sheets, nanotubes and quantum dots, have great potentials in biomedical fields. However, their delivery is highly limited by the formation of protein corona upon interaction with endogenous proteins. This new identity, instead of nanomaterial itself, would be the real substance the organs and cells firstly encounter. Consequently, the behavior of nanomaterials in vivo is uncontrollable and some undesired effects may occur, like rapid clearance from blood stream; risk of capillary blockage; loss of targeting capacity; and potential toxicity. Therefore, protein-nanomaterial interaction is a great challenge for nanomaterial systems and should be inhibited. However, this interaction can also be used to functionalize nanomaterials by forming a selected protein corona. Unlike other decoration using exogenous molecules, nanomaterials functionalized by selected protein corona using endogenous proteins would have greater promise for clinical use. In this review, we aim to provide a comprehensive understanding of protein-nanomaterial interaction. Importantly, a discussion about how to use such interaction is launched and some possible applications of such interaction for advanced drug delivery are presented. Copyright © 2016 Elsevier B.V. All rights reserved.

  1. Self-diffusion of particles interacting through a square-well or square-shoulder potential

    NARCIS (Netherlands)

    Wilbertz, H.; Michels, J.; Beijeren, H. van; Leegwater, J.A.

    1988-01-01

    The diffusion coefficient and velocity autocorrelation function for a fluid of particles interacting through a square-well or square-shoulder potential are calculated from a kinetic theory similar to the Davis-Rice-Sengers theory and the results are compared to those of computer simulations. At low

  2. Stochastic quantum inflation for a canonical scalar field with linear self-interaction potential

    Energy Technology Data Exchange (ETDEWEB)

    Panotopoulos, Grigoris [CENTRA, Instituto Superior Tecnico, Universidade de Lisboa, Lisboa (Portugal)

    2017-10-15

    We apply Starobinsky's formalism of stochastic inflation to the case of a massless minimally coupled scalar field with linear self-interaction potential. We solve the corresponding Fokker-Planck equation exactly, and we obtain analytical expressions for the stochastic expectation values. (orig.)

  3. Potential pharmacokinetic interactions between antiretrovirals and medicinal plants used as complementary and African traditional medicines.

    Science.gov (United States)

    Müller, Adrienne C; Kanfer, Isadore

    2011-11-01

    The use of traditional/complementary/alternate medicines (TCAMs) in HIV/AIDS patients who reside in Southern Africa is quite common. Those who use TCAMs in addition to antiretroviral (ARV) treatment may be at risk of experiencing clinically significant pharmacokinetic (PK) interactions, particularly between the TCAMs and the protease inhibitors (PIs) and non-nucleoside reverse transcriptase inhibitors (NNRTIs). Mechanisms of PK interactions include alterations to the normal functioning of drug efflux transporters, such as P-gp and/or CYP isoenzymes, such a CYP3A4 that mediate the absorption and elimination of drugs in the small intestine and liver. Specific mechanisms include inhibition and activation of these proteins and induction via the pregnane X receptor (PXR). Several clinical studies and case reports involving ARV-herb PK interactions have been reported. St John's Wort, Garlic and Cat's Claw exhibited potentially significant interactions, each with a PI or NNRTI. The potential for these herbs to induce PK interactions with drugs was first identified in reports of in vitro studies. Other in vitro studies have shown that several African traditional medicinal (ATM) plants and extracts may also demonstrate PK interactions with ARVs, through effects on CYP3A4, P-gp and PXR. The most complex effects were exhibited by Hypoxis hemerocallidea, Sutherlandia frutescens, Cyphostemma hildebrandtii, Acacia nilotica, Agauria salicifolia and Elaeodendron buchananii. Despite a high incidence of HIV/AIDs in the African region, only one clinical study, between efavirenz and Hypoxis hemerocallidea has been conducted. However, several issues/concerns still remain to be addressed and thus more studies on ATMs are warranted in order for more meaningful data to be generated and the true potential for such interactions to be determined. Copyright © 2011 John Wiley & Sons, Ltd.

  4. Potential toxicity of phthalic acid esters plasticizer: interaction of dimethyl phthalate with trypsin in vitro.

    Science.gov (United States)

    Wang, Yaping; Zhang, Guowen; Wang, Langhong

    2015-01-14

    Dimethyl phthalate (DMP) is widely used as a plasticizer in industrial processes and has been reported to possess potential toxicity to the human body. In this study, the interaction between DMP and trypsin in vitro was investigated. The results of fluorescence, UV–vis, circular dichroism, and Fourier transform infrared spectra along with cyclic voltammetric measurements indicated that the remarkable fluorescence quenching and conformational changes of trypsin resulted from the formation of a DMP–trypsin complex, which was driven mainly by hydrophobic interactions. The molecular docking and trypsin activity assay showed that DMP primarily interacted with the catalytic triad of trypsin and led to the inhibition of trypsin activity. The dimensions of the individual trypsin molecules were found to become larger after binding with DMP by atomic force microscopy imaging. This study offers a comprehensive picture of DMP–trypsin interaction, which is expected to provide insights into the toxicological effect of DMP.

  5. Intermolecular interaction potentials of the methane dimer from the local density approximation

    International Nuclear Information System (INIS)

    Chen Xiangrong; Bai Yulin; Zhu Jun; Yang Xiangdong

    2004-01-01

    The intermolecular interaction potentials of methane (CH 4 ) dimer are calculated within the density functional theory in the local density approximation (LDA). It is found that the calculated potentials have minima when the intermolecular distance of CH 4 dimer is about 7.0 a.u., which is in good agreement with the experiment. The depth of the potential is 0.017 eV. The results obtained by our LDA calculations seem to agree well with those obtained by MP2, MP3, and CCSD from the Moeller-Plesset and coupled cluster methods by Tsuzuki et al. and with the experimental data

  6. Investigating the time-correlation properties in self-potential signals recorded in a seismic area of Irpinia, southern Italy

    International Nuclear Information System (INIS)

    Telesca, Luciano; Balasco, Marianna; Lapenna, Vincenzo

    2007-01-01

    Recent studies have shown that many natural phenomena are characterized by temporal fluctuations with long-range power-law correlations, suggesting a fractal geometry of the underlying dynamical system. The presence of power-law correlations are detected in four time series of self-potential signals, measured in a seismic area of southern Italy, by means of the Detrended Fluctuation Analysis (DFA), a method that permits the detection of long-range correlations in nonstationary time series. Results show scaling behaviour for all the signals recorded, indicating the presence of fractal features expressing a long-term correlation quantified by the numerical value of the scaling exponents. Our findings suggest a possible correlation between the earthquakes occurred in the area investigated and the relative maxima/minima of the mean and the standard deviation of the scaling exponents. Furthermore, the normalized average and standard deviation curves for all the signals tend to converge in correspondence with an earthquake

  7. Interactive and individual effects of sensory potentiation and region-specific changes in excitability after spinal cord injury.

    Science.gov (United States)

    Hoffman, N; Parker, D

    2011-12-29

    While promoting regeneration across lesion sites is a main focus of research into spinal injury, changes also occur in the sublesion spinal cord and its sensory inputs. However, how these varied effects relate to recovery remains largely unknown. Here, we have examined changes in sensory inputs and region-specific changes in spinal cord excitability after spinal cord lesions in the lamprey, a model system for studying regeneration and functional recovery, and related the changes to the degree of locomotor recovery.Proprioceptive responses below lesion sites were potentiated and their rate of adaptation reduced 8-10 weeks after lesioning (i.e. when animals usually showed significant locomotor recovery). These effects were associated with changes in cellular properties that were consistent with an increase in proprioceptor excitability. However, the changes in proprioceptive inputs did not correlate with the degree of locomotor recovery. There were region-specific changes in spinal cord excitability below lesion sites. In isolation, these excitability changes also did not correlate with the degree of locomotor recovery, but in this case, there were significant interactions between the magnitude of stimulation-evoked responses across the lesion site (used to assess the extent of regeneration) and sublesion changes in excitability. These interactions differed in animals that recovered well or poorly, suggesting that the nature of this interaction influenced recovery. These results add to the evidence for diverse changes in the spinal cord after injury, and suggest that regenerated inputs and their interactions with sublesion networks influence the degree of functional recovery. Copyright © 2011 IBRO. Published by Elsevier Ltd. All rights reserved.

  8. Scaled effective on-site Coulomb interaction in the DFT+U method for correlated materials

    Science.gov (United States)

    Nawa, Kenji; Akiyama, Toru; Ito, Tomonori; Nakamura, Kohji; Oguchi, Tamio; Weinert, M.

    2018-01-01

    The first-principles calculation of correlated materials within density functional theory remains challenging, but the inclusion of a Hubbard-type effective on-site Coulomb term (Ueff) often provides a computationally tractable and physically reasonable approach. However, the reported values of Ueff vary widely, even for the same ionic state and the same material. Since the final physical results can depend critically on the choice of parameter and the computational details, there is a need to have a consistent procedure to choose an appropriate one. We revisit this issue from constraint density functional theory, using the full-potential linearized augmented plane wave method. The calculated Ueff parameters for the prototypical transition-metal monoxides—MnO, FeO, CoO, and NiO—are found to depend significantly on the muffin-tin radius RMT, with variations of more than 2-3 eV as RMT changes from 2.0 to 2.7 aB. Despite this large variation in Ueff, the calculated valence bands differ only slightly. Moreover, we find an approximately linear relationship between Ueff(RMT) and the number of occupied localized electrons within the sphere, and give a simple scaling argument for Ueff; these results provide a rationalization for the large variation in reported values. Although our results imply that Ueff values are not directly transferable among different calculation methods (or even the same one with different input parameters such as RMT), use of this scaling relationship should help simplify the choice of Ueff.

  9. Examining ecological validity in social interaction: problems of visual fidelity, gaze, and social potential.

    Science.gov (United States)

    Reader, Arran T; Holmes, Nicholas P

    2016-01-01

    Social interaction is an essential part of the human experience, and much work has been done to study it. However, several common approaches to examining social interactions in psychological research may inadvertently either unnaturally constrain the observed behaviour by causing it to deviate from naturalistic performance, or introduce unwanted sources of variance. In particular, these sources are the differences between naturalistic and experimental behaviour that occur from changes in visual fidelity (quality of the observed stimuli), gaze (whether it is controlled for in the stimuli), and social potential (potential for the stimuli to provide actual interaction). We expand on these possible sources of extraneous variance and why they may be important. We review the ways in which experimenters have developed novel designs to remove these sources of extraneous variance. New experimental designs using a 'two-person' approach are argued to be one of the most effective ways to develop more ecologically valid measures of social interaction, and we suggest that future work on social interaction should use these designs wherever possible.

  10. Frequency of potential interactions between drugs in medical prescriptions in a city in southern Brazil

    Directory of Open Access Journals (Sweden)

    Genici Weyh Bleich

    Full Text Available CONTEXT AND OBJECTIVE: Drug interactions form part of current clinical practice and they affect between 3 and 5% of polypharmacy patients. The aim of this study was to identify the frequency of potential drug-drug interactions in prescriptions for adult and elderly patients. TYPE OF STUDY AND SETTING: Cross-sectional pharmacoepidemiological survey in the Parque Verde housing project, municipality of Cascavel, Paraná, Brazil, between December 2006 and February 2007. METHODS: Stratified cluster sampling, proportional to the total number of homes in the housing project, was used. The sample consisted of 95 homes and 96 male or female patients aged 19 or over, with medical prescriptions for at least two pharmaceutical drugs. Interactions were identified using DrugDigest, Medscape and Micromedex softwares. RESULTS: Most of the patients were female (69.8%, married (59.4% and in the age group of 60 years or over (56.3%, with an income less than or equal to three minimum monthly salaries (81.3% and less than eight years of schooling (69.8%; 90.6% of the patients were living with another person. The total number of pharmaceutical drugs was 406 (average of 4.2 medications per patient. The drugs most prescribed were antihypertensives (47.5%. The frequency of drug interactions was 66.6%. Among the 154 potential drug interactions, 4.6% were classified as major, 65.6% as moderate and 20.1% as minor. CONCLUSION: The high frequency of drug prescriptions with a potential for differentiated interactions indicates a situation that has so far been little explored, albeit a reality in household surveys.

  11. Potential drug–drug interactions in Alzheimer patients with behavioral symptoms

    Directory of Open Access Journals (Sweden)

    Pasqualetti G

    2015-09-01

    Full Text Available Giuseppe Pasqualetti, Sara Tognini, Valeria Calsolaro, Antonio Polini, Fabio Monzani Geriatrics Unit, Department of Clinical and Experimental Medicine, University of Pisa, Pisa, Italy Abstract: The use of multi drug regimens among the elderly population has increased tremendously over the last decade although the benefits of medications are always accompanied by potential harm, even when prescribed at recommended doses. The elderly populations are particularly at an increased risk of adverse drug reactions considering comorbidity, poly-therapy, physiological changes affecting the pharmacokinetics and pharmacodynamics of many drugs and, in some cases, poor compliance due to cognitive impairment and/or depression. In this setting, drug–drug interaction may represent a serious and even life-threatening clinical condition. Moreover, the inability to distinguish drug-induced symptoms from a definitive medical diagnosis often results in addition of yet another drug to treat the symptoms, which in turn increases drug–drug interactions. Cognitive enhancers, including acetylcholinesterase inhibitors and memantine, are the most widely prescribed agents for Alzheimer’s disease (AD patients. Behavioral and psychological symptoms of dementia, including psychotic symptoms and behavioral disorders, represent noncognitive disturbances frequently observed in AD patients. Antipsychotic drugs are at high risk of adverse events, even at modest doses, and may interfere with the progression of cognitive impairment and interact with several drugs including anti-arrhythmics and acetylcholinesterase inhibitors. Other medications often used in AD patients are represented by anxiolytic, like benzodiazepine, or antidepressant agents. These agents also might interfere with other concomitant drugs through both pharmacokinetic and pharmacodynamic mechanisms. In this review we focus on the most frequent drug–drug interactions, potentially harmful, in AD patients with

  12. Association of COMT and COMT-DRD2 interaction with creative potential

    Directory of Open Access Journals (Sweden)

    Shun eZhang

    2014-04-01

    Full Text Available Several lines of evidence suggest that genes involved in dopamine (DA transmission may contribute to creativity. Among these genes, the catechol-O-methyltransferase gene (COMT and the dopamine D2 receptor gene (DRD2 are the most promising candidates. Our previous study has revealed evidence for the involvement of DRD2 in creative potential. The present study extended our previous study by systematically exploring the association of COMT with creative potential as well as the interaction between COMT and DRD2. Twelve single nucleotide polymorphisms (SNPs covering COMT were genotyped in 543 healthy Chinese college students whose creative potentials were assessed by divergent thinking tests. Single SNP analysis showed that rs174697 was nominally associated with verbal originality, two SNPs (rs737865 and rs5993883 were nominally associated with figural fluency, and two SNPs (rs737865 and rs4680 were nominally associated with figural originality. Haplotype analysis showed that, the TCT and CCT haplotype (rs737865-rs174675-rs5993882 were nominally associated with figural originality, and the TATGCAG and CGCGGGA haplotype (rs4646312-rs6269-rs4633-rs6267-rs4818-rs4680-rs769224 were nominally associated with figural originality and verbal flexibility, respectively. However, none of these nominal findings survived correction for multiple testing. Gene-gene interaction analysis identified one significant four-way interaction of rs174675 (COMT, rs174697 (COMT, rs1076560 (DRD2 and rs4436578 (DRD2 on verbal fluency, one significant four-way interaction of rs174675 (COMT, rs4818 (COMT, rs1076560 (DRD2 and rs4648317 (DRD2 on verbal flexibility, and one significant three-way interaction of rs5993883 (COMT, rs4648319 (DRD2 and rs4648317 (DRD2 on figural flexibility. In conclusion, the present study provides nominal evidence for the involvement of COMT in creative potential and suggests that DA related genes may act in coordination to contribute to creativity.

  13. Charged patchy particle models in explicit salt: Ion distributions, electrostatic potentials, and effective interactions.

    Science.gov (United States)

    Yigit, Cemil; Heyda, Jan; Dzubiella, Joachim

    2015-08-14

    We introduce a set of charged patchy particle models (CPPMs) in order to systematically study the influence of electrostatic charge patchiness and multipolarity on macromolecular interactions by means of implicit-solvent, explicit-ion Langevin dynamics simulations employing the Gromacs software. We consider well-defined zero-, one-, and two-patched spherical globules each of the same net charge and (nanometer) size which are composed of discrete atoms. The studied mono- and multipole moments of the CPPMs are comparable to those of globular proteins with similar size. We first characterize ion distributions and electrostatic potentials around a single CPPM. Although angle-resolved radial distribution functions reveal the expected local accumulation and depletion of counter- and co-ions around the patches, respectively, the orientation-averaged electrostatic potential shows only a small variation among the various CPPMs due to space charge cancellations. Furthermore, we study the orientation-averaged potential of mean force (PMF), the number of accumulated ions on the patches, as well as the CPPM orientations along the center-to-center distance of a pair of CPPMs. We compare the PMFs to the classical Derjaguin-Verwey-Landau-Overbeek theory and previously introduced orientation-averaged Debye-Hückel pair potentials including dipolar interactions. Our simulations confirm the adequacy of the theories in their respective regimes of validity, while low salt concentrations and large multipolar interactions remain a challenge for tractable theoretical descriptions.

  14. Use of total cross sections for obtaining the anisotropic interaction potential in atom--diatom system

    International Nuclear Information System (INIS)

    Eccles, J.; Secrest, D.

    1977-01-01

    A study is made of the ''conservation of the total cross section'' and the ''equivalence of the total cross section'' rules for scattering from H 2 . It is shown that these rules are a better approximation than the random phase approximation would indicate. Cross section formulas are given for scattering atoms from m/sub j/ state selected molecules and it is shown that total cross sections for state selected molecules depend on the anisotropic part of the interaction potential, while the spin-averaged total cross section often depends only on the spherically symmetric part of the interaction potential. The total spin-averaged cross section is thus independent of the initial rotation state of the molecule and depends only on the relative collision energy. It is further demonstrated that isotopic substitution, which shifts the center of mass changing the symmetric part of the interaction potential, has too small an effect on the total cross section to be useful as a means of determining the anisotropy of the potential

  15. Reconstruction of the Tip-Surface Interaction Potential by Analysis of the Brownian Motion of an Atomic Force Microscope Tip

    NARCIS (Netherlands)

    Willemsen, O.H.; Kuipers, L.; van der Werf, Kees; de Grooth, B.G.; Greve, Jan

    2000-01-01

    The thermal movement of an atomic force microscope (AFM) tip is used to reconstruct the tip-surface interaction potential. If a tip is brought into the vicinity of a surface, its movement is governed by the sum of the harmonic cantilever potential and the tip-surface interaction potential. By

  16. Using full configuration interaction quantum Monte Carlo in a seniority zero space to investigate the correlation energy equivalence of pair coupled cluster doubles and doubly occupied configuration interaction

    International Nuclear Information System (INIS)

    Shepherd, James J.; Henderson, Thomas M.; Scuseria, Gustavo E.

    2016-01-01

    Over the past few years, pair coupled cluster doubles (pCCD) has shown promise for the description of strong correlation. This promise is related to its apparent ability to match results from doubly occupied configuration interaction (DOCI), even though the latter method has exponential computational cost. Here, by modifying the full configuration interaction quantum Monte Carlo algorithm to sample only the seniority zero sector of Hilbert space, we show that the DOCI and pCCD energies are in agreement for a variety of 2D Hubbard models, including for systems well out of reach for conventional configuration interaction algorithms. Our calculations are aided by the sign problem being much reduced in the seniority zero space compared with the full space. We present evidence for this and then discuss the sign problem in terms of the wave function of the system which appears to have a simplified sign structure.

  17. Evaluation of potential interactions between mycophenolic acid derivatives and proton pump inhibitors.

    Science.gov (United States)

    Gabardi, Steven; Olyaei, Ali

    2012-01-01

    To evaluate the incidence of gastrointestinal (GI) complications in solid organ transplant (SOT) recipients, impact of the complications on transplant outcomes, and the potential interactions between mycophenolic acid (MPA) derivatives and proton pump inhibitors (PPIs). An unrestricted literature search (1980-January 2012) was performed with MEDLINE and EMBASE using the following key words: drug-drug interaction, enteric-coated mycophenolic acid, GI complications, mycophenolate mofetil, solid organ transplant, and proton pump inhibitor, including individual agents within the class. Abstracts from scientific meetings were also evaluated. Additionally, reference citations from identified publications were reviewed. Relevant English-language, original research articles and review articles were evaluated if they focused on any of the topics identified in the search or included substantial content addressing GI complications in SOT recipients or drug interactions. GI complications are frequent among SOT recipients, with some studies showing prevalence rates as high as 70%. Transplant outcomes among renal transplant recipients are significantly impacted by GI complications, especially in patients requiring immunosuppressant dosage reductions or premature discontinuation. To this end, PPI use among patients receiving transplants is common. Recent data demonstrate that PPIs significantly reduce the overall exposure to MPA after oral administration of mycophenolate mofetil. Similar studies show this interaction does not exist between PPIs and enteric-coated mycophenolic acid (EC-MPA). Unfortunately, most of the available data evaluating this interaction are pharmacokinetic analyses that do not investigate the clinical impact of this interaction. A significant interaction exists between PPIs and mycophenolate mofetil secondary to reduced dissolution of mycophenolate mofetil in higher pH environments. EC-MPA is not absorbed in the stomach; therefore, low intragastric acidity

  18. Exact Local Correlations and Full Counting Statistics for Arbitrary States of the One-Dimensional Interacting Bose Gas

    Science.gov (United States)

    Bastianello, Alvise; Piroli, Lorenzo; Calabrese, Pasquale

    2018-05-01

    We derive exact analytic expressions for the n -body local correlations in the one-dimensional Bose gas with contact repulsive interactions (Lieb-Liniger model) in the thermodynamic limit. Our results are valid for arbitrary states of the model, including ground and thermal states, stationary states after a quantum quench, and nonequilibrium steady states arising in transport settings. Calculations for these states are explicitly presented and physical consequences are critically discussed. We also show that the n -body local correlations are directly related to the full counting statistics for the particle-number fluctuations in a short interval, for which we provide an explicit analytic result.

  19. Study of a model Fermi liquid interacting via a hard-core repulsive potential and an attractive tail

    International Nuclear Information System (INIS)

    Ng, Tai Kai; Singwi, K.S.

    1986-02-01

    In this paper we present an extensive microscopic study of the collective and single-particle properties of a model Fermi liquid whose particles interact via a repulsive hard-core potential and an attractive tail. The model system is intended to simulate liquid 3 He. The study is based on an approximate scheme of Singwi, Tosi, Land and Sjoelander (STLS) which was devised to treat correlations in Coulomb Fermi liquids. The primary aim of this study is to learn whether the model system is capable of reproducing some of the salient features observed in normal liquid 3 He, and about the role of the repulsive and attractive parts of the potential. We have calculated the Landau parameters F 0 /sup s/ and F 0 /sup a/ and their variation with pressure, the wave number and pressure dependence of the spin-symmetric and spin-anti-symmetric polarization potentials, pressure dependence of the dispersion of the zero sound, the static structure factors and the quasiparticle mass. Although we make no quantitative claims when comparing our calculations with experiments in real liquid 3 He, we do conclude that our model system within the framework of the STLS scheme can account qualitatively for the latter. Besides, since the theory is microscopic in nature and is parameter free, it has enabled us to understand better the role of the repulsive and the attractive parts of the bare potential in determining the properties of liquid 3 He. 27 figs., 2 tabs

  20. Tunable interactions between paramagnetic colloidal particles driven in a modulated ratchet potential.

    Science.gov (United States)

    Straube, Arthur V; Tierno, Pietro

    2014-06-14

    We study experimentally and theoretically the interactions between paramagnetic particles dispersed in water and driven above the surface of a stripe patterned magnetic garnet film. An external rotating magnetic field modulates the stray field of the garnet film and generates a translating potential landscape which induces directed particle motion. By varying the ellipticity of the rotating field, we tune the inter-particle interactions from net repulsive to net attractive. For attractive interactions, we show that pairs of particles can approach each other and form stable doublets which afterwards travel along the modulated landscape at a constant mean speed. We measure the strength of the attractive force between the moving particles and propose an analytically tractable model that explains the observations and is in quantitative agreement with experiment.

  1. A new method for detecting interactions between the senses in event-related potentials

    DEFF Research Database (Denmark)

    Gondan, Matthias; Röder, B.

    2006-01-01

    Event-related potentials (ERPs) can be used in multisensory research to determine the point in time when different senses start to interact, for example, the auditory and the visual system. For this purpose, the ERP to bimodal stimuli (AV) is often compared to the sum of the ERPs to auditory (A......) and visual (V) stimuli: AV - (A + V). If the result is non-zero, this is interpreted as an indicator for multisensory interactions. Using this method, several studies have demonstrated auditory-visual interactions as early as 50 ms after stimulus onset. The subtraction requires that A, V, and AV do...... not contain common activity: This activity would be subtracted twice from one ERP and would, therefore, contaminate the result. In the present study, ERPs to unimodal, bimodal, and trimodal auditory, visual, and tactile stimuli (T) were recorded. We demonstrate that (T + TAV) - (TA + TV) is equivalent to AV...

  2. Understanding consumer motivations for interacting in online food communities – potential for innovation

    DEFF Research Database (Denmark)

    Jacobsen, Lina; Sørensen, Bjarne Taulo; Tudoran, Ana Alina

    This study contributes to the understanding of online user communities as a potential source of innovation. That would require an interest from users in interacting in such communities. In order to establish interaction, users must provide as well as consume information. However, depending...... on the innovation task, one may be more important than the other. It is therefore important to understand, how companies can increase user willingness to engage in these different interaction forms. This study investigates the influence of various motivation factors and user interests on intention to provide...... or consume information in online food communities. A survey was conducted among 1009 respondents followed by analysis based on Structural Equation Modelling. Results revealed the effect of motivation factors to be stronger than basic consumer interests indicating that companies can influence the intended...

  3. Method of correlation operators in the theory of a system of particles with strong interactions

    International Nuclear Information System (INIS)

    Kuz'min, Y.M.

    1985-01-01

    A similarity transformation of the density matrix is performed with the help of the correlation operator. This does not change the value of the partition function. A method of calculating the transformed partition function with the help of a finite translation operator is given. A general system of coupled equations is obtained from which the matrix elements of correlation operators of increasing order can be found

  4. Mean Field Limits for Interacting Diffusions in a Two-Scale Potential

    Science.gov (United States)

    Gomes, S. N.; Pavliotis, G. A.

    2018-06-01

    In this paper, we study the combined mean field and homogenization limits for a system of weakly interacting diffusions moving in a two-scale, locally periodic confining potential, of the form considered in Duncan et al. (Brownian motion in an N-scale periodic potential, arXiv:1605.05854, 2016b). We show that, although the mean field and homogenization limits commute for finite times, they do not, in general, commute in the long time limit. In particular, the bifurcation diagrams for the stationary states can be different depending on the order with which we take the two limits. Furthermore, we construct the bifurcation diagram for the stationary McKean-Vlasov equation in a two-scale potential, before passing to the homogenization limit, and we analyze the effect of the multiple local minima in the confining potential on the number and the stability of stationary solutions.

  5. Collision kernels in the eikonal approximation for Lennard-Jones interaction potential

    International Nuclear Information System (INIS)

    Zielinska, S.

    1985-03-01

    The velocity changing collisions are conveniently described by collisional kernels. These kernels depend on an interaction potential and there is a necessity for evaluating them for realistic interatomic potentials. Using the collision kernels, we are able to investigate the redistribution of atomic population's caused by the laser light and velocity changing collisions. In this paper we present the method of evaluating the collision kernels in the eikonal approximation. We discuss the influence of the potential parameters Rsub(o)sup(i), epsilonsub(o)sup(i) on kernel width for a given atomic state. It turns out that unlike the collision kernel for the hard sphere model of scattering the Lennard-Jones kernel is not so sensitive to changes of Rsub(o)sup(i) as the previous one. Contrary to the general tendency of approximating collisional kernels by the Gaussian curve, kernels for the Lennard-Jones potential do not exhibit such a behaviour. (author)

  6. Mach-Zehnder interferometry with interacting Bose-Einstein condensates in a double-well potential

    International Nuclear Information System (INIS)

    Berrada, T.

    2014-01-01

    Mach-Zehnder interferometry with interacting Bose-Einstein condensates in a double-well potential Particle-wave duality has enabled the construction of interferometers for massive particles such as electrons, neutrons, atoms or molecules. Implementing atom interferometry has required the development of analogues to the optical beam-splitters, phase shifters or recombiners to enable the coherent, i.e. phase-preserving manipulation of quantum superpositions. While initially demonstrating the wave nature of particles, atom interferometers have evolved into some of the most advanced devices for precision measurement, both for technological applications and tests of the fundamental laws of nature. Bose- Einstein condensates (BEC) of ultracold atoms are particular matter waves: they exhibit a collective many-body wave function and macroscopic coherence properties. As such, they have often been considered as an analogue to optical laser elds and it is natural to wonder whether BECs can provide to atom interferometry a similar boost as the laser brought to optical interferometry. One fundamental dierence between atomic BECs and lasers elds is the presence of atomic interactions, yielding an intrinsic non-linearity. On one hand, interactions can lead to eects destroying the phase coherence and limiting the interrogation time of trapped BEC interferometers. On the other hand, they can be used to generate nonclassical (e.g. squeezed) states to improve the sensitivity of interferometric measurements beyond the standard quantum limit (SQL). In this thesis, we present the realization of a full Mach-Zehnder interferometric sequence with trapped, interacting BECs con ned on an atom chip. Our interferometer relies on the coherent manipulation of a BEC in a magnetic double-well potential. For this purpose, we developed a novel type of matter-wave recombiner, an element which so far was missing in BEC atom optics. We have been able to exploit interactions to generate a squeezed

  7. Non-potential interactions and the origin of masses of elementary particles

    International Nuclear Information System (INIS)

    Sun, J.

    1982-01-01

    We propose a fundamental assumption on internal states of particles. It follows from the fundamental assumption that: (1) the constituents of particles become non-particle objects; and (2) there appear naturally non-potential interactions. This non-potential interaction leads to a series of interesting results, one of which is that it yields the origin of masses of elementary particles. All mass values are given by the theory without pre-assumed mass values of the constituents (except the rest mass of the electron; mass is a physical quantity which appears only in particles but not in their constituents). The theoretically calculated mass values are in excellent agreement with the experimental values. In all calculations, only one constant b = 0.99935867 is introduced (bc being the speed of internal motion)

  8. Structure factor of polymers interacting via a short range repulsive potential: Application to hairy wormlike micelles

    International Nuclear Information System (INIS)

    Massiera, Gladys; Ramos, Laurence; Ligoure, Christian; Pitard, Estelle

    2003-01-01

    We use the random phase approximation to compute the structure factor S(q) of a solution of chains interacting through a soft and short range repulsive potential V. Above a threshold polymer concentration, whose magnitude is essentially controlled by the range of the potential, S(q) exhibits a peak whose position depends on the concentration. We take advantage of the close analogy between polymers and wormlike micelles and apply our model, using a Gaussian function for V, to quantitatively analyze experimental small angle neutron scattering profiles of solutions of hairy wormlike micelles. These samples, which consist in surfactant self-assembled flexible cylinders decorated by amphiphilic copolymer, provide indeed an appropriate experimental model system to study the structure of sterically interacting polymer solutions

  9. Essential multimeric enzymes in kinetoplastid parasites: A host of potentially druggable protein-protein interactions.

    Science.gov (United States)

    Wachsmuth, Leah M; Johnson, Meredith G; Gavenonis, Jason

    2017-06-01

    Parasitic diseases caused by kinetoplastid parasites of the genera Trypanosoma and Leishmania are an urgent public health crisis in the developing world. These closely related species possess a number of multimeric enzymes in highly conserved pathways involved in vital functions, such as redox homeostasis and nucleotide synthesis. Computational alanine scanning of these protein-protein interfaces has revealed a host of potentially ligandable sites on several established and emerging anti-parasitic drug targets. Analysis of interfaces with multiple clustered hotspots has suggested several potentially inhibitable protein-protein interactions that may have been overlooked by previous large-scale analyses focusing solely on secondary structure. These protein-protein interactions provide a promising lead for the development of new peptide and macrocycle inhibitors of these enzymes.

  10. Analysis of bound-state spectra near the threshold of neutral particle interaction potentials

    International Nuclear Information System (INIS)

    Ou Fang; Cao Zhuangqi; Chen Jianping; Xu Junjie

    2006-01-01

    It is understood that conventional semiclassical approximations deteriorate towards threshold in a typical neutral particle interaction potential which is important for the study of ultra-cold atoms and molecules. In this Letter we give an example of the Lennard-Jones potential with tuning of the strength parameter on the basis of the analytical transfer matrix (ATM) method. Highly accurate quantum mechanical results, such as number of the bound states, energy level density and the eigenvalues with extremely low energies have been derived

  11. Dayside and nightside contributions to the cross polar cap potential: placing an upper limit on a viscous-like interaction

    Directory of Open Access Journals (Sweden)

    S. E. Milan

    2004-11-01

    Full Text Available Observations of changes in size of the ionospheric polar cap allow the dayside and nightside reconnection rates to be quantified. From these it is straightforward to estimate the rate of antisunward transport of magnetic flux across the polar regions, quantified by the cross polar cap potential ΦPC. When correlated with upstream measurements of the north-south component of the IMF, ΦPC is found to increase for more negative Bz, as expected. However, we also find that ΦPC does not, on average, decrease to zero, even for strongly northward IMF. In the past this has been interpreted as evidence for a viscous interaction between the magnetosheath flow and the outer boundaries of the magnetosphere. In contrast, we show that this is the consequence of flows excited by tail reconnection, which is inherently uncorrelated with IMF Bz.

  12. Prevalence and typology of potential drug interactions occurring in primary care patients.

    Science.gov (United States)

    Lopez-Picazo, Julio J; Ruiz, Juan C; Sanchez, Jose F; Ariza, Angeles; Aguilera, Belen; Lazaro, Dolores; Sanz, Gonzalo R

    2010-06-01

    To investigate the prevalence and types of potential drug interactions in primary care patients to detect risky prescriptions as an essential condition to design intervention policies leading to an improvement in patient safety. Cross-sectional descriptive study. Two areas in Spain comprising 715,661 inhabitants. 430,525 subjects with electronic medical records and assigned to a family doctor regularly updating them. On a random day, 29.4% of the population was taking medication. Of these, 73.9% were at risk of suffering interactions, and these were found in 20.6% of them. The amount of interactions was higher among people with chronic conditions, the elderly, females and polymedicated patients. From the total of interactions, 55.1% belonged to the highest clinical relevance 'A' level, and 28.3% should have been avoided. The active ingredients primarily involved were hydrochlorothiazide and ibuprofen and, when focusing on those that should be avoided, omeprazole and acenocoumarol. The most frequent 'A' interaction that should be avoided was between non-conjugated excreted benzodiazepines and proton-pump inhibitors, followed by some NSAIDs and diuretics. 1 in 20 Spanish citizens is currently undergoing a potential drug interaction, including a high rate of clinically relevant ones that should be avoided. These results confirm the existence of a serious safety issue that should be approached and where all parties involved (physicians, health services, medical societies and patients) must do our bit to improve. Health services should foster the implementation of prescription alert systems linked with electronic medical records including clinical data.

  13. Adverse event potentially due to an interaction between ibrutinib and verapamil: a case report.

    Science.gov (United States)

    Lambert Kuhn, E; Levêque, D; Lioure, B; Gourieux, B; Bilbault, P

    2016-02-01

    Ibrutinib is a recently approved oral anticancer agent with pharmacokinetics that is very sensitive to metabolic inhibition. We report a serious side effect of ibrutinib potentially attributable to interaction with the moderate CYP3A4 inhibitor verapamil. A patient with mantle cell lymphoma was admitted to our emergency department with severe diarrhoea. During a prescription review, the clinical pharmacist identified a potential drug interaction between ibrutinib and verapamil present in a branded combination product also containing trandolapril. Ibrutinib was discontinued for 5 days, and verapamil was stopped. Lercanidipine 10 mg daily was prescribed as an alternative antihypertensive drug. The patient was discharged after 3 days with symptomatic treatment for his diarrhoea. Three months later, the patient maintained control with ibrutinib and olmesartan, but without verapamil. This is the first description of a serious side effect of ibrutinib likely due to an interaction with the CYP3A4 inhibitor verapamil. Prescriptions of ibrutinib must be carefully checked to identify possible interactions with CYP3A4 inhibitors and patients monitored accordingly. © 2016 John Wiley & Sons Ltd.

  14. Probing nanomechanical interaction at the interface between biological membrane and potentially toxic chemical.

    Science.gov (United States)

    Lim, Chanoong; Park, Sohee; Park, Jinwoo; Ko, Jina; Lee, Dong Woog; Hwang, Dong Soo

    2018-04-12

    Various xenobiotics interact with biological membranes, and precise evaluations of the molecular interactions between them are essential to foresee the toxicity and bioavailability of existing or newly synthesized molecules. In this study, surface forces apparatus (SFA) measurement and Langmuir trough based tensiometry are performed to reveal nanomechanical interaction mechanisms between potential toxicants and biological membranes for ex vivo toxicity evaluation. As a toxicant, polyhexamethylene guanidine (PHMG) was selected because PHMG containing humidifier disinfectant and Vodka caused lots of victims in both S. Korea and Russia, respectively, due to the lack of holistic toxicity evaluation of PHMG. Here, we measured strong attraction (Wad ∼4.2 mJ/m 2 ) between PHMG and head group of biological membranes while no detectable adhesion force between the head group and control molecules was measured. Moreover, significant changes in π-A isotherm of 1,2-Dipalmitoyl-sn-glycero-3-phosphatidylcholine (DPPC) monolayers were measured upon PHMG adsorption. These results indicate PHMG strongly binds to hydrophilic group of lipid membranes and alters the structural and phase behavior of them. More importantly, complementary utilization of SFA and Langmuir trough techniques are found to be useful to predict the potential toxicity of a chemical by evaluating the molecular interaction with biological membranes, the primary protective barrier for living organisms. Copyright © 2018 Elsevier B.V. All rights reserved.

  15. Chew-Low model and the potential description of the πN interaction

    International Nuclear Information System (INIS)

    Fuda, M.G.

    1983-01-01

    The inverse scattering problem for the Chew-Low model is solved and the solution is used to construct three different forms for the off-shell πN T matrix. The three forms differ in their treatment of the nucleon pole and the crossing cut. One of the forms is shown to be equivalent to a separable potential model with an energy dependent strength. The analysis gives some insight into the question of the range of the πN interaction

  16. Fokker-action principle for a system of particles interacting through a linear potential

    International Nuclear Information System (INIS)

    Rivacoba, A.

    1984-01-01

    A Fokker-action principle for a system of scalar particles interacting through their time-symmetric relativistic generalization of linear potential is obtained. From this action, motion equations and conservation laws for the total energy and angular momentum of the system, in which field contributions are included, are derived. These equations are exactly applied to the problem suggested by Schild of two particles moving in circular concentric orbits

  17. An evaluation of diverse methods of obtaining effective Schroedinger interaction potentials for elastic scattering

    International Nuclear Information System (INIS)

    Amos, K.; Allen, L.J.; Steward, C.; Hodgson, P.E.; Sofianos, S.A.

    1995-01-01

    Direct solution of the Schroedinger equation and inversion methods of analysis of elastic scattering data are considered to evaluate the information that they can provide about the physical interaction between colliding nuclear particles. It was found that both optical model and inversion methods based upon inverse scattering theories are subject to ambiguities. Therefore, it is essential that elastic scattering data analyses are consistent with microscopic calculations of the potential. 25 refs

  18. An evaluation of diverse methods of obtaining effective Schroedinger interaction potentials for elastic scattering

    Energy Technology Data Exchange (ETDEWEB)

    Amos, K.; Allen, L.J.; Steward, C. [Melbourne Univ., Parkville, VIC (Australia). School of Physics; Hodgson, P.E. [Oxford Univ. (United Kingdom). Dept. of Physics; Sofianos, S.A. [University of South Africa (UNISA), Pretoria (South Africa). Dept. of Physics

    1995-10-01

    Direct solution of the Schroedinger equation and inversion methods of analysis of elastic scattering data are considered to evaluate the information that they can provide about the physical interaction between colliding nuclear particles. It was found that both optical model and inversion methods based upon inverse scattering theories are subject to ambiguities. Therefore, it is essential that elastic scattering data analyses are consistent with microscopic calculations of the potential. 25 refs.

  19. Potential herb-drug interactions found in a community pharmacy patients

    OpenAIRE

    C. Batista; C. Pinho; M. Castel-Branco; M. Caramona; I. Figueiredo

    2015-01-01

    Phytotherapy has always played a leading role in therapeutics. However, a strong knowledge of the risk-benefit relationship of herbal products by patients and health professionals is necessary. The goals of this study were to characterize the consumption pattern of medicinal plants in patients in a community pharmacy, identify potential herb-drug interactions, and establish a list of recommendations for health professionals and/or patients in order to prevent/minimize negative outcomes arisin...

  20. Evaluation of the Coulomb logarithm using cutoff and screened Coulomb interaction potentials

    International Nuclear Information System (INIS)

    Ordonez, C.A.; Molina, M.I.

    1994-01-01

    The Coulomb logarithm is a fundamental plasma parameter which is commonly derived within the framework of the binary collision approximation. The conventional formula for the Coulomb logarithm, λ=ln Λ, takes into account a pure Coulomb interaction potential for binary collisions and is not accurate at small values (λ D in place of λ D (the Debye length) in the conventional formula for the Coulomb logarithm

  1. The inclusion of electron correlation in intermolecular potentials: Applications to the formamide dimer and liquid formamide

    DEFF Research Database (Denmark)

    Brdarski, S.; Åstrand, P.-O.; Karlström, G.

    2000-01-01

    dipole moment is 11% lower at the MP2 level than at the Hartree-Fock (HF) level, whereas the isotropic part of the polarizability is increased by 36% by adding electron correlation and using a considerably larger basis set. The atomic charges, dipole moments and polarizabilities obtained at the HF level...

  2. Effective interactions for valence-hole nuclei with modern meson-exchange potential models

    International Nuclear Information System (INIS)

    Hjort-Jensen, M.; Osnes, E.; Kuo, E.

    1991-10-01

    Within the framework of the folded-diagram theory, the authors have studied the effective interaction appropriate for hole-hole nuclei in the mass regions of 16 O and 40 Ca, using the Bonn and Paris potential models. To sum up the folded diagrams the renormalization procedure of Lee and Suzuki has been employed, using a so-called Q-box in which were included all one-body and two-body irreducible valence-linked diagrams through third order in perturbation theory. Discrepancies for the mass dependence of the effective interaction for several JT configurations with respect to empirically deduced mass dependencies is reported. The role of core polarization processes through third order were found to be one of the mechanisms behind these discrepancies. Compared to the results obtained with the Paris potential, more attraction is introduced by the Bonn potential for all matrix elements of concerns, a result which agrees well with previous findings for the particle-particle interaction in the same mass regions. A qualitative agreements with experimental data is obtained. 31 refs., 6 figs., 8 tabs

  3. Multiplicities and forward-backward correlations in anti pp interactions at 22.4 GeV/c

    International Nuclear Information System (INIS)

    Boos, E.G.; Samojlov, V.V.; Tashimov, M.A.

    1977-01-01

    Forward-backward multiplicity correlations in anti pp -interactions at 22.4 GeV/c and multiplicities in a simple icle multiplicity distribution is divided into even and odd components, the probability of producting an odd state is found to be higher than that of producing an even state, which may be interpreted to be due to diffraction forward-backward and to everall multiplicities is discussed

  4. Two-particle correlations in azimuthal angle and pseudorapidity in inelastic p + p interactions at the CERN Super Proton Synchrotron

    International Nuclear Information System (INIS)

    Aduszkiewicz, A.; Dominik, W.; Kuich, M.; Matulewicz, T.; Posiadala, M.; Walewski, M.; Ali, Y.; Andronov, E.; Feofilov, G.A.; Igolkin, S.; Kondratiev, V.P.; Kovalenko, V.; Merzlaya, A.; Seryakov, A.; Vechernin, V.V.; Vinogradov, L.; Anticic, T.; Kadija, K.; Susa, T.; Antoniou, N.; Christakoglou, P.; Diakonos, F.; Kapoyannis, A.; Panagiotou, A.D.; Vassiliou, M.; Baatar, B.; Brandin, A.; Selyuzhenkov, I.; Taranenko, A.; Bay, F.; Di Luise, S.; Rubbia, A.; Sgalaberna, D.; Blondel, A.; Bravar, A.; Damyanova, A.; Haesler, A.; Korzenev, A.; Ravonel, M.; Bogomilov, M.; Kolev, D.; Tsenov, R.; Brzychczyk, J.; Larsen, D.; Planeta, R.; Richter-Was, E.; Staszel, P.; Wyszynski, O.; Bunyatov, S.A.; Kolesnikov, V.I.; Krasnoperov, A.; Lyubushkin, V.V.; Malakhov, A.I.; Matveev, V.; Melkumov, G.L.; Tereshchenko, V.; Busygina, O.; Golubeva, M.; Guber, F.; Ivashkin, A.; Kurepin, A.; Sadovsky, A.; Cirkovic, M.; Knezevic, N.; Manic, D.; Puzovic, J.; Czopowicz, T.; Grebieszkow, K.; Mackowiak-Pawlowska, M.; Maksiak, B.; Sarnecki, R.; Slodkowski, M.; Tefelska, A.; Tefelski, D.; Davis, N.; Kielbowicz, M.; Ozvenchuk, V.; Rybicki, A.; Dembinski, H.; Engel, R.; Herve, A.E.; Mathes, H.J.; Roth, M.; Szuba, M.; Ulrich, R.; Unger, M.; Veberic, D.; Deveaux, M.; Koziel, M.; Renfordt, R.; Stroebele, H.; Dumarchez, J.; Robert, A.; Ereditato, A.; Hierholzer, M.; Nirkko, M.; Pistillo, C.; Redij, A.; Fodor, Z.; Garibov, A.; Gazdzicki, M.; Grzeszczuk, A.; Kaptur, E.; Kisiel, J.; Kowalski, S.; Pulawski, S.; Schmidt, K.; Wilczek, A.; Hasegawa, T.; Kobayashi, T.; Nakadaira, T.; Nishikawa, K.; Sakashita, K.; Sekiguchi, T.; Shibata, M.; Tada, M.; Hylen, J.; Lundberg, B.; Marchionni, A.; Rameika, R.; Zwaska, R.; Johnson, S.R.; Marino, A.D.; Nagai, Y.; Rumberger, B.T.; Zimmerman, E.D.; Kowalik, K.; Rondio, E.; Stepaniak, J.; Laszlo, A.; Marton, K.; Vesztergombi, G.; Lewicki, M.; Naskret, M.; Turko, L.; Marcinek, A.; Messerly, B.; Paolone, V.; Wickremasinghe, A.; Mills, G.B.; Morozov, S.; Petukhov, O.; Mrowczynski, S.; Rybczynski, M.; Seyboth, P.; Stefanek, G.; Wlodarczyk, Z.; Wojtaszek-Szwarc, A.; Pavin, M.; Popov, B.A.; Rauch, W.; Roehrich, D.; Rustamov, A.; Zambelli, L.

    2017-01-01

    Results on two-particle ΔηΔφ correlations in inelastic p + p interactions at 20, 31, 40, 80, and 158 GeV/c are presented. The measurements were performed using the large acceptance NA61/SHINE hadron spectrometer at the CERN Super Proton Synchrotron. The data show structures which can be attributed mainly to effects of resonance decays, momentum conservation, and quantum statistics. The results are compared with the Epos and UrQMD models. (orig.)

  5. Two-particle correlations in azimuthal angle and pseudorapidity in inelastic p + p interactions at the CERN Super Proton Synchrotron

    Energy Technology Data Exchange (ETDEWEB)

    Aduszkiewicz, A.; Dominik, W.; Kuich, M.; Matulewicz, T.; Posiadala, M.; Walewski, M. [University of Warsaw, Warsaw (Poland); Ali, Y. [Jagiellonian University, Cracow (Poland); COMSATS Institute of Information Technology, Islamabad (Pakistan); Andronov, E.; Feofilov, G.A.; Igolkin, S.; Kondratiev, V.P.; Kovalenko, V.; Merzlaya, A.; Seryakov, A.; Vechernin, V.V.; Vinogradov, L. [St. Petersburg State University, St. Petersburg (Russian Federation); Anticic, T.; Kadija, K.; Susa, T. [Ruder Boskovic Institute, Zagreb (Croatia); Antoniou, N.; Christakoglou, P.; Diakonos, F.; Kapoyannis, A.; Panagiotou, A.D.; Vassiliou, M. [University of Athens, Athens (Greece); Baatar, B.; Brandin, A.; Selyuzhenkov, I.; Taranenko, A. [National Research Nuclear University (Moscow Engineering Physics Institute), Moscow (Russian Federation); Bay, F.; Di Luise, S.; Rubbia, A.; Sgalaberna, D. [ETH Zuerich, Zuerich (Switzerland); Blondel, A.; Bravar, A.; Damyanova, A.; Haesler, A.; Korzenev, A.; Ravonel, M. [University of Geneva, Geneva (Switzerland); Bogomilov, M.; Kolev, D.; Tsenov, R. [University of Sofia, Faculty of Physics, Sofia (Bulgaria); Brzychczyk, J.; Larsen, D.; Planeta, R.; Richter-Was, E.; Staszel, P.; Wyszynski, O. [Jagiellonian University, Cracow (Poland); Bunyatov, S.A.; Kolesnikov, V.I.; Krasnoperov, A.; Lyubushkin, V.V.; Malakhov, A.I.; Matveev, V.; Melkumov, G.L.; Tereshchenko, V. [Joint Institute for Nuclear Research, Dubna (Russian Federation); Busygina, O.; Golubeva, M.; Guber, F.; Ivashkin, A.; Kurepin, A.; Sadovsky, A. [Institute for Nuclear Research, Moscow (Russian Federation); Cirkovic, M.; Knezevic, N.; Manic, D.; Puzovic, J. [University of Belgrade, Belgrade (Serbia); Czopowicz, T.; Grebieszkow, K.; Mackowiak-Pawlowska, M.; Maksiak, B.; Sarnecki, R.; Slodkowski, M.; Tefelska, A.; Tefelski, D. [Warsaw University of Technology, Warsaw (Poland); Davis, N.; Kielbowicz, M.; Ozvenchuk, V.; Rybicki, A. [H. Niewodniczanski Institute of Nuclear Physics of the Polish Academy of Sciences, Krakow (Poland); Dembinski, H.; Engel, R.; Herve, A.E.; Mathes, H.J.; Roth, M.; Szuba, M.; Ulrich, R.; Unger, M.; Veberic, D. [Karlsruhe Institute of Technology, Karlsruhe (Germany); Deveaux, M.; Koziel, M.; Renfordt, R.; Stroebele, H. [University of Frankfurt, Frankfurt (Germany); Dumarchez, J.; Robert, A. [LPNHE, University of Paris VI and VII, Paris (France); Ereditato, A.; Hierholzer, M.; Nirkko, M.; Pistillo, C.; Redij, A. [University of Bern, Bern (Switzerland); Fodor, Z. [Wigner Research Centre for Physics of the Hungarian Academy of Sciences, Budapest (Hungary); University of Wroclaw, Wroclaw (Poland); Garibov, A. [National Nuclear Research Center, Baku (Azerbaijan); Gazdzicki, M. [University of Frankfurt, Frankfurt (Germany); Jan Kochanowski University in Kielce, Kielce (Poland); Grzeszczuk, A.; Kaptur, E.; Kisiel, J.; Kowalski, S.; Pulawski, S.; Schmidt, K.; Wilczek, A. [University of Silesia, Katowice (Poland); Hasegawa, T.; Kobayashi, T.; Nakadaira, T.; Nishikawa, K.; Sakashita, K.; Sekiguchi, T.; Shibata, M.; Tada, M. [Institute for Particle and Nuclear Studies, Tsukuba (Japan); Hylen, J.; Lundberg, B.; Marchionni, A.; Rameika, R.; Zwaska, R. [Fermilab, Batavia (United States); Johnson, S.R.; Marino, A.D.; Nagai, Y.; Rumberger, B.T.; Zimmerman, E.D. [University of Colorado, Boulder (United States); Kowalik, K.; Rondio, E.; Stepaniak, J. [National Centre for Nuclear Research, Warsaw (Poland); Laszlo, A.; Marton, K.; Vesztergombi, G. [Wigner Research Centre for Physics of the Hungarian Academy of Sciences, Budapest (Hungary); Lewicki, M.; Naskret, M.; Turko, L. [University of Wroclaw, Wroclaw (Poland); Marcinek, A. [Jagiellonian University, Cracow (Poland); University of Wroclaw, Wroclaw (Poland); Messerly, B.; Paolone, V.; Wickremasinghe, A. [University of Pittsburgh, Pittsburgh (United States); Mills, G.B. [Los Alamos National Laboratory, Los Alamos (United States); Morozov, S.; Petukhov, O. [Institute for Nuclear Research, Moscow (Russian Federation); National Research Nuclear University (Moscow Engineering Physics Institute), Moscow (Russian Federation); Mrowczynski, S.; Rybczynski, M.; Seyboth, P.; Stefanek, G.; Wlodarczyk, Z.; Wojtaszek-Szwarc, A. [Jan Kochanowski University in Kielce, Kielce (Poland); Pavin, M. [Ruder Boskovic Institute, Zagreb (Croatia); LPNHE, University of Paris VI and VII, Paris (France); Popov, B.A. [LPNHE, University of Paris VI and VII, Paris (France); Joint Institute for Nuclear Research, Dubna (Russian Federation); Rauch, W. [Fachhochschule Frankfurt, Frankfurt (Germany); Roehrich, D. [University of Bergen, Bergen (Norway); Rustamov, A. [National Nuclear Research Center, Baku (Azerbaijan); University of Frankfurt, Frankfurt (Germany); Zambelli, L. [LPNHE, University of Paris VI and VII, Paris (France); Institute for Particle and Nuclear Studies, Tsukuba (Japan)

    2017-02-15

    Results on two-particle ΔηΔφ correlations in inelastic p + p interactions at 20, 31, 40, 80, and 158 GeV/c are presented. The measurements were performed using the large acceptance NA61/SHINE hadron spectrometer at the CERN Super Proton Synchrotron. The data show structures which can be attributed mainly to effects of resonance decays, momentum conservation, and quantum statistics. The results are compared with the Epos and UrQMD models. (orig.)

  6. Virus–Bacteria Interactions: Implications and Potential for the Applied and Agricultural Sciences

    Directory of Open Access Journals (Sweden)

    Matthew D. Moore

    2018-02-01

    Full Text Available Eukaryotic virus–bacteria interactions have recently become an emerging topic of study due to multiple significant examples related to human pathogens of clinical interest. However, such omnipresent and likely important interactions for viruses and bacteria relevant to the applied and agricultural sciences have not been reviewed or compiled. The fundamental basis of this review is that these interactions have importance and deserve more investigation, as numerous potential consequences and applications arising from their discovery are relevant to the applied sciences. The purpose of this review is to highlight and summarize eukaryotic virus–bacteria findings in the food/water, horticultural, and animal sciences. In many cases in the agricultural sciences, mechanistic understandings of the effects of virus–bacteria interactions remain unstudied, and many studies solely focus on co-infections of bacterial and viral pathogens. Given recent findings relative to human viral pathogens, further research related to virus–bacteria interactions would likely result in numerous discoveries and beneficial applications.

  7. Cyclin D3 interacts with human activating transcription factor 5 and potentiates its transcription activity

    International Nuclear Information System (INIS)

    Liu Wenjin; Sun Maoyun; Jiang Jianhai; Shen Xiaoyun; Sun Qing; Liu Weicheng; Shen Hailian; Gu Jianxin

    2004-01-01

    The Cyclin D3 protein is a member of the D-type cyclins. Besides serving as cell cycle regulators, D-type cyclins have been reported to be able to interact with several transcription factors and modulate their transcriptional activations. Here we report that human activating transcription factor 5 (hATF5) is a new interacting partner of Cyclin D3. The interaction was confirmed by in vivo coimmunoprecipitation and in vitro binding analysis. Neither interaction between Cyclin D1 and hATF5 nor interaction between Cyclin D2 and hATF5 was observed. Confocal microscopy analysis showed that Cyclin D3 could colocalize with hATF5 in the nuclear region. Cyclin D3 could potentiate hATF5 transcriptional activity independently of its Cdk4 partner. But Cyclin D1 and Cyclin D2 had no effect on hATF5 transcriptional activity. These data provide a new clue to understand the new role of Cyclin D3 as a transcriptional regulator

  8. Improving intermolecular interactions in DFTB3 using extended polarization from chemical-potential equalization

    Energy Technology Data Exchange (ETDEWEB)

    Christensen, Anders S., E-mail: andersx@chem.wisc.edu, E-mail: cui@chem.wisc.edu; Cui, Qiang, E-mail: andersx@chem.wisc.edu, E-mail: cui@chem.wisc.edu [Department of Chemistry, University of Wisconsin-Madison, 1101 University Ave., Madison, Wisconsin 53706 (United States); Elstner, Marcus [Theoretische Chemische Biologie, Universität Karlsruhe, Kaiserstr. 12, 76131 Karlsruhe (Germany)

    2015-08-28

    Semi-empirical quantum mechanical methods traditionally expand the electron density in a minimal, valence-only electron basis set. The minimal-basis approximation causes molecular polarization to be underestimated, and hence intermolecular interaction energies are also underestimated, especially for intermolecular interactions involving charged species. In this work, the third-order self-consistent charge density functional tight-binding method (DFTB3) is augmented with an auxiliary response density using the chemical-potential equalization (CPE) method and an empirical dispersion correction (D3). The parameters in the CPE and D3 models are fitted to high-level CCSD(T) reference interaction energies for a broad range of chemical species, as well as dipole moments calculated at the DFT level; the impact of including polarizabilities of molecules in the parameterization is also considered. Parameters for the elements H, C, N, O, and S are presented. The Root Mean Square Deviation (RMSD) interaction energy is improved from 6.07 kcal/mol to 1.49 kcal/mol for interactions with one charged species, whereas the RMSD is improved from 5.60 kcal/mol to 1.73 for a set of 9 salt bridges, compared to uncorrected DFTB3. For large water clusters and complexes that are dominated by dispersion interactions, the already satisfactory performance of the DFTB3-D3 model is retained; polarizabilities of neutral molecules are also notably improved. Overall, the CPE extension of DFTB3-D3 provides a more balanced description of different types of non-covalent interactions than Neglect of Diatomic Differential Overlap type of semi-empirical methods (e.g., PM6-D3H4) and PBE-D3 with modest basis sets.

  9. Tunneling of coupled methyl quantum rotors in 4-methylpyridine: Single rotor potential versus coupling interaction

    Science.gov (United States)

    Khazaei, Somayeh; Sebastiani, Daniel

    2017-11-01

    We study the influence of rotational coupling between a pair of methyl rotators on the tunneling spectrum in condensed phase. Two interacting adjacent methyl groups are simulated within a coupled-pair model composed of static rotational potential created by the chemical environment and the interaction potential between two methyl groups. We solve the two-dimensional time-independent Schrödinger equation analytically by expanding the wave functions on the basis set of two independent free-rotor functions. We investigate three scenarios which differ with respect to the relative strength of single-rotor and coupling potential. For each scenario, we illustrate the dependence of the energy level scheme on the coupling strength. It is found that the main determinant of splitting energy levels tends to be a function of the ratio of strengths of coupling and single-rotor potential. The tunnel splitting caused by coupling is maximized for the coupled rotors in which their total hindering potential is relatively shallow. Such a weakly hindered methyl rotational potential is predicted for 4-methylpyridine at low temperature. The experimental observation of multiple tunneling peaks arising from a single type of methyl group in 4-methylpyridine in the inelastic neutron scattering spectrum is widely attributed to the rotor-rotor coupling. In this regard, using a set of first-principles calculations combined with the nudged elastic band method, we investigate the rotational potential energy surface (PES) of the coaxial pairs of rotors in 4-methylpyridine. A Numerov-type method is used to numerically solve the two-dimensional time-independent Schrödinger equation for the calculated 2D-density functional theory profile. Our computed energy levels reproduce the observed tunneling transitions well. Moreover, the calculated density distribution of the three methyl protons resembles the experimental nuclear densities obtained from the Fourier difference method. By mapping the

  10. Charge- and transverse momentum dependence of correlations in proton-proton interactions at very high energies

    International Nuclear Information System (INIS)

    Hofmann, W.

    1977-07-01

    The charge- and momentum dependence of correlations between secondaries emitted in pp-collisions at √s = 52 GeV was investigated using the Split-Field-Magnet spectrometer at the CERN Intersecting Storage Rings (ISR). For nondiffractive inelastic events the central particle production is characterized by local conservation of charge and global compensation of transverse momenta. Strong short range correlations due to cluster decay and Bose-Einstein effects are observed. A consistent description of the correlations is given in the framework of cluster models. Local conservation of charge is also detected in events, where a particle of high transverse momentum is produced. The observations are in good agreement with the predictions of a simple quark parton model. (orig.) [de

  11. Interesting correlations among various parameters of charged secondaries in nucleus - nucleus interactions at 4.5 A GeV

    International Nuclear Information System (INIS)

    Khan, M. Saleem; Shukla, Praveen Prakash; Khushnood, H.

    2015-01-01

    The study of the characteristic of charged secondaries was the aim of most of the experiments on high energy nucleon-nucleon and nucleus-nucleus collisions. Investigation are carried out on the produced secondary charged particles with a common belief that these particles are more informative about the collisional dynamics and thus, could be effective in revealing the underlying physics of high energy relativistic interactions. So for understanding the mechanism of multiparticle production in high energy hadron-nucleus collisions, the correlations amongst the secondary charged particles are studied. Several workers have attempted to study the multiplicity correlations over widely different incident energies with different projectiles. The AALMT collaboration have also studied the multiplicity correlations in 200 GeV proton-nucleus collisions

  12. Three-dimensional interactive and stereotactic atlas of the cranial nerves and their nuclei correlated with surface neuroanatomy, vasculature and magnetic resonance imaging.

    Science.gov (United States)

    Nowinski, Wieslaw L; Johnson, Aleksandra; Chua, Beng Choon; Nowinska, Natalia G

    2012-01-01

    Knowledge of the cranial nerves and their nuclei is critical in clinical practice, medical research and education. However to our best knowledge, a comprehensive source capturing full three-dimensional (3D) relationships of the cranial nerves along with surrounding neuroanatomy is not yet available. This work addresses the construction and validation of an atlas of the cranial nerves with their nuclei, correlated with surface neuroanatomy, vasculature, and magnetic resonance imaging. The atlas is interactive, stereotactic, 3D, detailed, fully parcellated, completely labeled, consistent in 3D, electronically dissectible, and scalable. A 3D geometrical model of the 12 pairs of cranial nerves with nuclei was created from an in vivo magnetic resonance scan exploiting in-house developed tools and methods, including tubular and iso-surface modeling, interactive editing, and mesh compression. This virtual model contains 439 objects with 121 different names, labeled based on Terminologia Anatomica. The model was integrated with a 3D atlas of structure, vasculature and tracts developed earlier, and correlated with sectional magnetic resonance anatomy. The whole model or its components can be interactively rotated, zoomed, panned, and add or removed with a simple few clicks. The studied material can be adaptively selected in an in-depth manner by using controls available in the user interface. This atlas is potentially useful for anatomy browsing, user self-testing, automatic student assessment, preparing materials, and localization in clinical neurology. Copyright © 2012 Elsevier B.V. All rights reserved.

  13. The correlation of cathodic peak potentials of vitamin K(3) derivatives and their calculated electron affinities. The role of hydrogen bonding and conformational changes.

    Science.gov (United States)

    Nasiri, Hamid Reza; Panisch, Robin; Madej, M Gregor; Bats, Jan W; Lancaster, C Roy D; Schwalbe, Harald

    2009-06-01

    2-methyl-1,4-naphtoquinone 1 (vitamin K(3), menadione) derivatives with different substituents at the 3-position were synthesized to tune their electrochemical properties. The thermodynamic midpoint potential (E(1/2)) of the naphthoquinone derivatives yielding a semi radical naphthoquinone anion were measured by cyclic voltammetry in the aprotic solvent dimethoxyethane (DME). Using quantum chemical methods, a clear correlation was found between the thermodynamic midpoint potentials and the calculated electron affinities (E(A)). Comparison of calculated and experimental values allowed delineation of additional factors such as the conformational dependence of quinone substituents and hydrogen bonding which can influence the electron affinities (E(A)) of the quinone. This information can be used as a model to gain insight into enzyme-cofactor interactions, particularly for enzyme quinone binding modes and the electrochemical adjustment of the quinone motif.

  14. Proper construction of ab initio global potential surfaces with accurate long-range interactions

    International Nuclear Information System (INIS)

    Ho, Tak-San; Rabitz, Herschel

    2000-01-01

    An efficient procedure based on the reproducing kernel Hilbert space interpolation method is presented for constructing intermolecular potential energy surfaces (PES) using not only calculated ab initio data but also a priori information on long-range interactions. Explicitly, use of the reciprocal power reproducing kernel on the semiinfinite interval [0,∞) yields a set of exact linear relations between dispersion (multipolar) coefficients and PES data points at finite internuclear separations. Consequently, given a combined set of ab initio data and the values of dispersion (multipolar) coefficients, the potential interpolation problem subject to long-range interaction constraints can be solved to render globally smooth, asymptotically accurate ab initio potential energy surfaces. Very good results have been obtained for the one-dimensional He-He potential curve and the two-dimensional Ne-CO PES. The construction of the Ne-CO PES was facilitated by invoking a new reproducing kernel for the angular coordinate based on the optimally stable and shape-preserving Bernstein basis functions. (c) 2000 American Institute of Physics

  15. Optical potentials derived from microscopic separable interactions including binding and recoil effects

    International Nuclear Information System (INIS)

    Siciliano, E.R.; Walker, G.E.

    1976-01-01

    We first consider a projectile scattering from a nucleon bound in a fixed potential. A separable Galilean invariant projectile-nucleon interaction is adopted. Without using the fixed scatterer approximation or using closure on the intermediate target nucleon states we obtain various forms for the projectile-bound nucleon t matrix. Effects due to intermediate target excitation and nucleon recoil are discussed. By making the further approximations of closure and fixed scatterers we make connection with the work of previous authors. By generalizing to projectile interaction with several bound nucleons and examining the appropriate multiple scattering series we identify the optical potential for projectile elastic scattering from the many-body system. Different optical potentials are obtained for different projectile-bound nucleon t matrices, and we study the differences predicted by these dissimilar optical potentials for elastic scattering. In a model problem, we study pion-nucleus elastic scattering and compare the predictions obtained by adopting procedures used by (1) Landau, Phatak, and Tabakin and (2) Piepho-Walker to the predictions obtained in a less restrictive, but computationally difficult treatment

  16. Abuse potential of propofol used for sedation in gastric endoscopy and its correlation with subject characteristics.

    Science.gov (United States)

    Kim, Ja Hyun; Byun, Heewon; Kim, Jun Hyun

    2013-11-01

    Propofol has been widely used for an induction and/or maintenance of general anesthesia, or for sedation for various procedures. Although it has many ideal aspects, there have been several cases of drug abuse and addiction. The authors investigated whether there are abuse liable groups among the general population. We surveyed 169 patients after gastric endoscopic examination, which used propofol as a sedative, with the Addiction Research Center Inventory (ARCI) questionnaire. Other characteristics of the patients, such as past history, smoking habits, depression, anxiety, alcohol abuse liability and sleep disturbance, were recorded by history taking and several questionnaires before the exam. Propofol had a high Morphine-Benzedrine Group (MBG) score (representative value for euphoria) of 6.3, which is higher than marijuana, and a Pentobarbital-Chlorpromazine-Alcohol Group (PCAG) score (representative value of sedation) of 8.1, which is lower than most opioids. The MBG score showed no statistically significant correlation between any of the characteristics of the groups. In females, the PCAG score showed a correlation with age, and in males, it showed a correlation with a sleeping problem. Propofol had relatively high euphoria and low residual sedative effects. It had a more potent sedative effect in the female group who were young, and in the male group who had a low sleep quality index. There were differences in the abuse liability from a single exposure to propofol in the general population. Further study is needed to evaluate the abuse liability of repeated exposure.

  17. Cancer-associated fibroblasts are positively correlated with metastatic potential of human gastric cancers

    Directory of Open Access Journals (Sweden)

    Zhang Hao

    2010-06-01

    Full Text Available Abstract Background The prognosis of gastric cancer patients is difficult to predict because of defects in establishing the surgical-pathological features. Cancer-associated fibroblasts (CAFs have been found to play prominent role in promoting tumor growth, invasion and metastasis. Thus raises the hypothesis that the extent of CAFs prevalence may help to establish the prognosis of gastric cancer patients. Methods Immunochemistry and realtime-PCR experiments were carried out to compare the expression of proteins which are specific markers of CAFs or secreted by CAFs in the tumor and normal tissue specimens. The extent of CAFs' prevalence was graded according to immunochemical staining, and correlation was further analyzed between CAFs' prevalence and other tumor characteristics which may influence the prognosis of gastric cancer patients. Results Nearly 80 percent of normal gastric tissues were negative or weak positive for CAFs staining, while more than 60 percent of gastric cancer tissues were moderate or strong positive for CAFs staining. Realtime-PCR results also showed significant elevated expression of FAP, SDF-1 and TGF-β1 in gastric cancer tissues compared to normal gastric tissues. Further analysis showed that CAFs' prevalence was correlated with tumor size, depth of the tumor, lymph node metastasis, liver metastasis or peritoneum metastasis. Conclusions Reactive cancer associated fibroblasts (CAFs were frequently accumulated in gastric cancer tissues, and the prevalence of CAFs was correlated with tumor size, depth of the tumor and tumor metastasis, thus give some supports for establishing the prognosis of the gastric cancer patients.

  18. Correlation of Dirac potentials and atomic inversion in cavity quantum electrodynamics

    International Nuclear Information System (INIS)

    Trisetyarso, Agung

    2010-01-01

    Controlling the time evolution of the population of two states in cavity quantum electrodynamics is necessary by tuning the modified Rabi frequency in which the extra classical effect of electromagnetic field is taken into account. The theoretical explanation underlying the perturbation of potential on spatial regime of bloch sphere is by the use of Bagrov-Baldiotti-Gitman-Shamshutdinova-Darboux transformations [Bagrov et al., 'Darboux transformation for two-level system', Ann. Phys. 14, 390 (2005)] on the electromagnetic field potential in one-dimensional stationary Dirac model in which the Pauli matrices are the central parameters for controlling the collapse and revival of the Rabi oscillations. It is shown that by choosing σ 1 in the transformation generates the parabolic potential causing the total collapse of oscillations, while (σ 2 ,σ 3 ) yield the harmonic oscillator potentials ensuring the coherence of qubits.

  19. Quantifying interhemispheric symmetry of somatosensory evoked potentials with the intraclass correlation coefficient

    NARCIS (Netherlands)

    van de Wassenberg, Wilma J. G.; van der Hoeven, Johannes H.; Leenders, Klaus L.; Maurits, Natasha M.

    Although large intersubject variability is reported for cortical somatosensory evoked potentials (SEPs), variability between hemispheres within one subject is thought to be small. Therefore, interhemispheric comparison of SEP waveforms might be clinically useful to detect unilateral abnormalities in

  20. Whitebark pine facilitation at treeline: potential interactions for disruption by an invasive pathogen.

    Science.gov (United States)

    Tomback, Diana F; Blakeslee, Sarah C; Wagner, Aaron C; Wunder, Michael B; Resler, Lynn M; Pyatt, Jill C; Diaz, Soledad

    2016-08-01

    In stressful environments, facilitation often aids plant establishment, but invasive plant pathogens may potentially disrupt these interactions. In many treeline communities in the northern Rocky Mountains of the U.S. and Canada, Pinus albicaulis, a stress-tolerant pine, initiates tree islands at higher frequencies than other conifers - that is, leads to leeward tree establishment more frequently. The facilitation provided by a solitary (isolated) P. albicaulis leading to tree island initiation may be important for different life-history stages for leeward conifers, but it is not known which life-history stages are influenced and protection provided. However, P. albicaulis mortality from the non-native pathogen Cronartium ribicola potentially disrupts these facilitative interactions, reducing tree island initiation. In two Rocky Mountain eastern slope study areas, we experimentally examined fundamental plant-plant interactions which might facilitate tree island formation: the protection offered by P. albicaulis to leeward seed and seedling life-history stages, and to leeward krummholz conifers. In the latter case, we simulated mortality from C. ribicola for windward P. albicaulis to determine whether loss of P. albicaulis from C. ribicola impacts leeward conifers. Relative to other common solitary conifers at treeline, solitary P. albicaulis had higher abundance. More seeds germinated in leeward rock microsites than in conifer or exposed microsites, but the odds of cotyledon seedling survival during the growing season were highest in P. albicaulis microsites. Planted seedling survival was low among all microsites examined. Simulating death of windward P. albicaulis by C. ribicola reduced shoot growth of leeward trees. Loss of P. albicaulis to exotic disease may limit facilitation interactions and conifer community development at treeline and potentially impede upward movement as climate warms.

  1. Investigating correlations between earthquakes and extreme eventsin self-potential data recorded in a seismicarea of Southestern Appennine Chain (Italy

    Directory of Open Access Journals (Sweden)

    V. Lapenna

    2004-06-01

    Full Text Available The Normalized Wavelet Cross-Correlation Function (NWCCF was used to study correlations between the series of extreme events in self-potential data and earthquakes, both modelled as stochastic point processes. This method gives objective results, robust to the presence of nonstationarities that often affect observational time series. Furthermore, the NWCCF identifies the timescales involved in the cross-correlated behaviour between two point processes. In particular, we analyzed the cross-correlation between the sequence of extreme events in selfpotential data measured at the monitoring station Tito, located in a seismic area of Southern Italy, and the series of earthquakes which occurred in the same area during 2001. To evaluate the influence of rain on the dynamics of geoelectrical variations, we applied the same approach between the selected extreme values and the rain data. We find that the anomalous geoelectrical values seem to cross-correlate with the rain at short and intermediate timescales (t< 500 h, while they significantly cross-correlate only with earthquakes (M = 2.5 at long timescales (t> 500 h.

  2. Possible Experiment for the Demonstration of Neutron Waves Interaction with Spatially Oscillating Potential

    Directory of Open Access Journals (Sweden)

    Miloi Mădălina Mihaela

    2018-01-01

    Full Text Available A wide range of problems in neutron optics is well described by a theory based on application of the effective potential model. It was assumed that the concept of the effective potential in neutron optics have a limited region of validity and ceases to be correct in the case of the giant acceleration of a matter. To test this hypothesis a new Ultra Cold neutron experiment for the observation neutron interaction with potential structure oscillating in space was proposed. The report is focused on the model calculations of the topography of sample surface that oscillate in space. These calculations are necessary to find an optimal parameters and geometry of the planned experiment.

  3. Pair correlations in near-magic nuclei and the nucleon--phonon interaction

    International Nuclear Information System (INIS)

    Kadmenskii, S.G.; Luk'yanovich, P.A.; Remesov, Y.I.; Furman, V.I.

    1987-01-01

    It is demonstrated that the nucleon-pairing phenomenon is entirely due to the finiteness of nuclei. A technique for taking account of the phonon-exchange-related retarded interaction in the particle--particle channel is developed for nuclei of the ''mag +- 2'' and ''mag +- 3'' types. It is shown that the nucleon--phonon interaction strength computed with allowance for the most collectivized surface oscillation branches makes it possible to ensure the correct attraction scale necessary for the description of the pairing phenomenon. The existence of a more profound similarity between the phenomena of superconductivity of metals and Cooper pairing of nucleons in nuclei is thus demonstrated

  4. Long-Range Near-Side Angular Correlations in Proton-Proton Interactions in CMS.

    CERN Multimedia

    CERN. Geneva; Roland, Gunther

    2010-01-01

    The CMS Collaboration Results on two-particle angular correlations for charged particles emitted in proton-proton collisions at center of mass energies of 0.9, 2.36 and 7TeV over a broad range of pseudorapidity (η) and azimuthal angle (φ) are presented using data collected with the CMS detector at the LHC. Short-range correlations in ∆η, which are studied in minimum bias events, are characterized using a simple independent cluster parameterization in order to quantify their strength (cluster size) and their extent in η (cluster decay width). Long-range azimuthal correlations are studied more differentially as a function of charged particle multiplicity and particle transverse momentum using a 980nb−1 data set at 7TeV. In high multiplicity events, a pronounced structure emerges in the two-dimensional correlation function for particles in intermediate pT’s of 1-3GeV/c, 2.0 EVO Universe, password "seminar"; Phone Bridge ID: 2330444 Password: 5142

  5. Microorganisms in potential host rocks for geological disposal of nuclear waste and their interactions with radionuclides

    Energy Technology Data Exchange (ETDEWEB)

    Cherkouk, A.; Liebe, M.; Luetke, L.; Moll, H.; Stumpf, T. [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Inst. of Resource Ecology

    2015-07-01

    The long-term safety of nuclear waste in a deep geological repository is an important issue in our society. Microorganisms indigenous to potential host rocks are able to influence the oxidation state, speciation and therefore the mobility of radionuclides as well as gas generation or canister corrosion. Therefore, for the safety assessment of such a repository it is necessary to know which microorganisms are present in the potential host rocks (e.g. clay, salt) and if these microorganisms can influence the performance of a repository. Microbial diversity in potential host rocks for geological disposal of nuclear waste was analyzed by culture-independent molecular biological methods (e.g. 16S rRNA gene retrieval) as well as enrichment and isolation of indigenous microbes. Among other isolates, a Paenibacillus strain, as a representative of Firmicutes, was recovered in R2A media under anaerobic conditions from Opalinus clay from the Mont Terri in Switzerland. Accumulation experiments and potentiometric titrations showed a strong interaction of Paenibacillus sp. cells with U(VI) within a broad pH range (3-7). Additionally, the interactions of the halophilic archaeal strain Halobacterium noricense DSM 15987, a salt rock representative reference strain, with U(VI) at high ionic strength was investigated. After 48 h the cells were still alive at uranium concentrations up to 60 μM, which demonstrates that Halobacterium noricense can tolerate uranium concentrations up to this level. The formed uranium sorption species were examined with time-resolved laser-induced fluorescence spectroscopy (TRLFS). The results about the microbial communities present in potential host rocks for nuclear waste repositories and their interactions with radionuclides contribute to the safety assessment of a prospective nuclear waste repository.

  6. Microorganisms in potential host rocks for geological disposal of nuclear waste and their interactions with radionuclides

    International Nuclear Information System (INIS)

    Cherkouk, A.; Liebe, M.; Luetke, L.; Moll, H.; Stumpf, T.

    2015-01-01

    The long-term safety of nuclear waste in a deep geological repository is an important issue in our society. Microorganisms indigenous to potential host rocks are able to influence the oxidation state, speciation and therefore the mobility of radionuclides as well as gas generation or canister corrosion. Therefore, for the safety assessment of such a repository it is necessary to know which microorganisms are present in the potential host rocks (e.g. clay, salt) and if these microorganisms can influence the performance of a repository. Microbial diversity in potential host rocks for geological disposal of nuclear waste was analyzed by culture-independent molecular biological methods (e.g. 16S rRNA gene retrieval) as well as enrichment and isolation of indigenous microbes. Among other isolates, a Paenibacillus strain, as a representative of Firmicutes, was recovered in R2A media under anaerobic conditions from Opalinus clay from the Mont Terri in Switzerland. Accumulation experiments and potentiometric titrations showed a strong interaction of Paenibacillus sp. cells with U(VI) within a broad pH range (3-7). Additionally, the interactions of the halophilic archaeal strain Halobacterium noricense DSM 15987, a salt rock representative reference strain, with U(VI) at high ionic strength was investigated. After 48 h the cells were still alive at uranium concentrations up to 60 μM, which demonstrates that Halobacterium noricense can tolerate uranium concentrations up to this level. The formed uranium sorption species were examined with time-resolved laser-induced fluorescence spectroscopy (TRLFS). The results about the microbial communities present in potential host rocks for nuclear waste repositories and their interactions with radionuclides contribute to the safety assessment of a prospective nuclear waste repository.

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

    Science.gov (United States)

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

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

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

    International Nuclear Information System (INIS)

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

    2013-01-01

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

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

    Science.gov (United States)

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

    2013-07-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Camera, Stefano [CENTRA, Instituto Superior Tecnico, Universidade Tecnica de Lisboa, Lisboa (Portugal); Fornasa, Mattia [School of Physics and Astronomy, University of Nottingham, Nottingham (United Kingdom); Fornengo, Nicolao; Regis, Marco [Dipartimento di Fisica, Universita di Torino and INFN, Torino (Italy)

    2013-07-01

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

  11. The triel bond: a potential force for tuning anion-π interactions

    Science.gov (United States)

    Esrafili, Mehdi D.; Mousavian, Parisasadat

    2018-02-01

    Using ab-initio calculations, the mutual influence between anion-π and B···N or B···C triel bond interactions is investigated in some model complexes. The properties of these complexes are studied by molecular electrostatic potential, noncovalent interaction index, quantum theory of atoms in molecules (QTAIM) and natural bond orbital (NBO) analyses. According to the results, the formation of B···N or B···C triel bond interactions in the multi-component systems makes a significant shortening of anion-π distance. Such remarkable variation in the anion-π distances has not been reported previously. The strengthening of the anion-π bonding in the multi-component systems depend significantly on the nature of the anion, and it becomes larger in the order Br- > Cl- > F-. The parameters derived from the QTAIM and NBO methodologies are used to study the mechanism of the cooperativity between the anion-π and triel bond interactions in the multi-component complexes.

  12. Drug-drug interactions involving lysosomes: mechanisms and potential clinical implications.

    Science.gov (United States)

    Logan, Randall; Funk, Ryan S; Axcell, Erick; Krise, Jeffrey P

    2012-08-01

    Many commercially available, weakly basic drugs have been shown to be lysosomotropic, meaning they are subject to extensive sequestration in lysosomes through an ion trapping-type mechanism. The extent of lysosomal trapping of a drug is an important therapeutic consideration because it can influence both activity and pharmacokinetic disposition. The administration of certain drugs can alter lysosomes such that their accumulation capacity for co-administered and/or secondarily administered drugs is altered. In this review the authors explore what is known regarding the mechanistic basis for drug-drug interactions involving lysosomes. Specifically, the authors address the influence of drugs on lysosomal pH, volume and lipid processing. Many drugs are known to extensively accumulate in lysosomes and significantly alter their structure and function; however, the therapeutic and toxicological implications of this remain controversial. The authors propose that drug-drug interactions involving lysosomes represent an important potential source of variability in drug activity and pharmacokinetics. Most evaluations of drug-drug interactions involving lysosomes have been performed in cultured cells and isolated tissues. More comprehensive in vivo evaluations are needed to fully explore the impact of this drug-drug interaction pathway on therapeutic outcomes.

  13. Erythromycin potentiates PR interval prolonging effect of verapamil in the rat: A pharmacodynamic drug interaction

    International Nuclear Information System (INIS)

    Dakhel, Yaman; Jamali, Fakhreddin

    2006-01-01

    Calcium channel blockers and macrolide antibiotics account for many drug interactions. Anecdotal reports suggest interactions between the two resulting in severe side effects. We studied the interaction between verapamil and erythromycin in the rat to see whether it occurs at the pharmacokinetics or pharmacodynamic level. Adult male Sprague-Dawley rats received doses of 1 mg/kg verapamil or 100 mg/kg erythromycin alone or in combination (n = 6/group). Serial blood samples (0-6 h) were taken for determination of the drug concentrations using HPLC. Electrocardiograms were recorded (0-6 h) through subcutaneously inserted lead II. Binding of the drugs to plasma proteins was studied using spiked plasma. Verapamil prolonged PR but not QT interval. Erythromycin prolonged QT but not PR interval. The combination resulted in a significant increase in PR interval prolongation and AV node blocks but did not further prolong QT interval. Pharmacokinetics and protein binding of neither drug were altered by the other. Our rat data confirm the anecdotal human case reports that combination of erythromycin and verapamil can result in potentiation of the cardiovascular response. The interaction appears to be at the pharmacodynamic rather than pharmacokinetic level hence may be extrapolated to other calcium channel antagonists

  14. 201Th chloride scintiscanning in myocardial infarction - correlation with ECG findings - diagnostic potential

    International Nuclear Information System (INIS)

    Kostka, I.

    1980-01-01

    The author intended to find out in how far myocardial scintiscanning with 201 Th chloride is a necessary auxiliary investigation in diagnosing acute myocardial infarction and whether there are correlations between ECG, increase of enzyme levels, and pressure measured in the lesser circulatory system. The scintiscans were evaluated by a new method: Defect sizes were determined using a transparent template and recorded in angular degrees. Also the reduced activity was considered. Especially posterior myocardial infarctions can be localized more easily and clearly by means of myocardial scintiscanning at rest, and also infarction sizes can be judged more easily. For a diagnosis of small myocardial infarctions or in patients with a block in their ECG picture, scintiscanning is a necessary part of the diagnostic spectrum. The findings of myocardial scintiscanning correspond well with those of other methods. As for the pressure increase in the lesser circulatory system, it is well correlated with the defect size shown by the scintiscan. 201 Th scintiscanning offers a good diagnostic possibility in those myocardial infarctions where ECG findings are ambiguous. (orig./MG) [de

  15. Earthquake potential in California-Nevada implied by correlation of strain rate and seismicity

    Science.gov (United States)

    Zeng, Yuehua; Petersen, Mark D.; Shen, Zheng-Kang

    2018-01-01

    Rock mechanics studies and dynamic earthquake simulations show that patterns of seismicity evolve with time through (1) accumulation phase, (2) localization phase, and (3) rupture phase. We observe a similar pattern of changes in seismicity during the past century across California and Nevada. To quantify these changes, we correlate GPS strain rates with seismicity. Earthquakes of M > 6.5 are collocated with regions of highest strain rates. By contrast, smaller magnitude earthquakes of M ≥ 4 show clear spatiotemporal changes. From 1933 to the late 1980s, earthquakes of M ≥ 4 were more diffused and broadly distributed in both high and low strain rate regions (accumulation phase). From the late 1980s to 2016, earthquakes were more concentrated within the high strain rate areas focused on the major fault strands (localization phase). In the same time period, the rate of M > 6.5 events also increased significantly in the high strain rate areas. The strong correlation between current strain rate and the later period of seismicity indicates that seismicity is closely related to the strain rate. The spatial patterns suggest that before the late 1980s, the strain rate field was also broadly distributed because of the stress shadows from previous large earthquakes. As the deformation field evolved out of the shadow in the late 1980s, strain has refocused on the major fault systems and we are entering a period of increased risk for large earthquakes in California.

  16. Preparing and probing many-body correlated systems in a Quantum Gas Microscope by engineering arbitrary landscape potentials

    Science.gov (United States)

    Rispoli, Matthew; Lukin, Alexander; Ma, Ruichao; Preiss, Philipp; Tai, M. Eric; Islam, Rajibul; Greiner, Markus

    2015-05-01

    Ultracold atoms in optical lattices provide a versatile tool box for observing the emergence of strongly correlated physics in quantum systems. Dynamic control of optical potentials on the single-site level allows us to prepare and probe many-body quantum states through local Hamiltonian engineering. We achieve these high precision levels of optical control through spatial light modulation with a DMD (digital micro-mirror device). This allows for both arbitrary beam shaping and aberration compensation in our imaging system to produce high fidelity optical potentials. We use these techniques to control state initialization, Hamiltonian dynamics, and measurement in experiments investigating low-dimensional many-body physics - from one-dimensional correlated quantum walks to characterizing entanglement.

  17. Mirage in temporal correlation functions for baryon-baryon interactions in lattice QCD

    International Nuclear Information System (INIS)

    Iritani, T.; Doi, T.; Aoki, S.; Gongyo, S.; Hatsuda, T.; Ikeda, Y.; Inoue, T.; Ishii, N.; Murano, K.; Nemura, H.; Sasaki, K.

    2016-01-01

    Single state saturation of the temporal correlation function is a key condition to extract physical observables such as energies and matrix elements of hadrons from lattice QCD simulations. A method commonly employed to check the saturation is to seek for a plateau of the observables for large Euclidean time. Identifying the plateau in the cases having nearby states, however, is non-trivial and one may even be misled by a fake plateau. Such a situation takes place typically for a system with two or more baryons. In this study, we demonstrate explicitly the danger from a possible fake plateau in the temporal correlation functions mainly for two baryons (ΞΞ and NN), and three and four baryons ("3He and "4He) as well, employing (2+1)-flavor lattice QCD at m_π=0.51 GeV on four lattice volumes with L= 2.9, 3.6, 4.3 and 5.8 fm. Caution is required when drawing conclusions about the bound NN, 3N and 4N systems based only on the standard plateau fitting of the temporal correlation functions.

  18. Correlation of the Dzyaloshinskii–Moriya interaction with Heisenberg exchange and orbital asphericity

    KAUST Repository

    Kim, Sanghoon; Ueda, Kohei; Go, Gyungchoon; Jang, Peong-Hwa; Lee, Kyung-Jin; Belabbes, Abderrezak; Manchon, Aurelien; Suzuki, Motohiro; Kotani, Yoshinori; Nakamura, Tetsuya; Nakamura, Kohji; Koyama, Tomohiro; Chiba, Daichi; Yamada, Kihiro. T.; Kim, Duck-Ho; Moriyama, Takahiro; Kim, Kab-Jin; Ono, Teruo

    2018-01-01

    Chiral spin textures of a ferromagnetic layer in contact to a heavy non-magnetic metal, such as Néel-type domain walls and skyrmions, have been studied intensively because of their potential for future nanomagnetic devices. The Dyzaloshinskii

  19. Radiative bound-state-formation cross-sections for dark matter interacting via a Yukawa potential

    Energy Technology Data Exchange (ETDEWEB)

    Petraki, Kalliopi [LPTHE, CNRS, UMR 7589,4 Place Jussieu, F-75252, Paris (France); Nikhef,Science Park 105, 1098 XG Amsterdam (Netherlands); Postma, Marieke; Vries, Jordy de [Nikhef,Science Park 105, 1098 XG Amsterdam (Netherlands)

    2017-04-13

    We calculate the cross-sections for the radiative formation of bound states by dark matter whose interactions are described in the non-relativistic regime by a Yukawa potential. These cross-sections are important for cosmological and phenomenological studies of dark matter with long-range interactions, residing in a hidden sector, as well as for TeV-scale WIMP dark matter. We provide the leading-order contributions to the cross-sections for the dominant capture processes occurring via emission of a vector or a scalar boson. We offer a detailed inspection of their features, including their velocity dependence within and outside the Coulomb regime, and their resonance structure. For pairs of annihilating particles, we compare bound-state formation with annihilation.

  20. Mechanisms of radiation interaction with DNA: Potential implications for radiation protection

    International Nuclear Information System (INIS)

    Sinclair, W.K.; Fry, R.J.M.

    1987-01-01

    An overview of presentations and discussions which took place at the US Department of Energy/Commission of European Communities (DOE/CEC) workshop on ''Mechanisms of Radiation Interaction with DNA: Potential Implications for Radiation Protection,'' held at San Diego, California, January 21-22, 1987, is provided. The Department has traditionally supported fundamental research on interactions of ionizing radiation with different biological systems and at all levels of biological organization. The aim of this workshop was to review the base of knowledge in the area of mechanisms of radiation action at the DNA level, and to explore ways in which this information can be applied to the development of scientifically sound concepts and procedures for use in the field of radiation protection

  1. Arsenic: A Review of the Element's Toxicity, Plant Interactions, and Potential Methods of Remediation.

    Science.gov (United States)

    Hettick, Bryan E; Cañas-Carrell, Jaclyn E; French, Amanda D; Klein, David M

    2015-08-19

    Arsenic is a naturally occurring element with a long history of toxicity. Sites of contamination are found worldwide as a result of both natural processes and anthropogenic activities. The broad scope of arsenic toxicity to humans and its unique interaction with the environment have led to extensive research into its physicochemical properties and toxic behavior in biological systems. The purpose of this review is to compile the results of recent studies concerning the metalloid and consider the chemical and physical properties of arsenic in the broad context of human toxicity and phytoremediation. Areas of focus include arsenic's mechanisms of human toxicity, interaction with plant systems, potential methods of remediation, and protocols for the determination of metals in experimentation. This assessment of the literature indicates that controlling contamination of water sources and plants through effective remediation and management is essential to successfully addressing the problems of arsenic toxicity and contamination.

  2. Research on the potential use of interactive materials on astronomy education

    Science.gov (United States)

    Voelzke, Marcos Rincon; Macedo, Josue

    2016-07-01

    This study presents results of a survey conducted at the Federal Institution of Education, Science and Technology in the North of Minas Gerais (IFNMG), and aimed to investigate the potentialities of the use of interactive materials in the teaching of astronomy. An advanced training course with involved learning activities about basic concepts of astronomy was offered to thirty-two Licenciate students in Physics, Mathematics and Biological Sciences, using the mixed methodology, combined with the three pedagogical moments. Among other aspects, the viability of the use of resources was noticed, involving digital technologies and interactive materials on teaching of astronomy, which may contribute to the broadening of methodological options for future teachers and meet their training needs.

  3. An event-related brain potential correlate of visual short-term memory

    NARCIS (Netherlands)

    Klaver, Peter; Talsma, D.; Wijers, Albertus; Heinze, Hans-Jochen; Mulder, Gijsbertus

    1999-01-01

    EVENT-RELATED potentials (ERPs) were recorded as 12 subjects performed a delayed matching to sample task. We presented two bilateral abstract shapes and cued spatially which had to be memorized for a subsequent matching task: left, right or both. During memorization a posterior slow negative ERP

  4. Effective one-body potential of DFT plus correlated kinetic energy density for two-electron spherical model atoms

    International Nuclear Information System (INIS)

    March, N.H.; Ludena, Eduardo V.

    2004-01-01

    For three model problems concerning two-electron spin-compensated ground states with spherical density, the third-order linear homogeneous differential equation constructed for the determination of ρ(r) is used here in conjunction with the von Weizsacker functional to characterize the one-body potential of density functional theory (DFT). Correlated von Weizsacker-type terms are compared to the exact DFT functional

  5. MRI correlates of interaction between gender and expressive suppression among the Chinese population.

    Science.gov (United States)

    Wang, Kangcheng; Huang, Hui; Chen, Li; Hou, Xin; Zhang, Yong; Yang, Junyi; Hao, Xin; Qiu, Jiang

    2017-04-07

    Expressive suppression is a kind of emotion regulation strategies by suppressing behaviors related to emotional responding. Despite the amount of behavioral research on expressive suppression, the structural and functional mechanisms underlying the interaction between gender and expressive suppression in Chinese healthy subjects have remained unknown. In the current study, we assessed the levels of expressive suppression and acquired the structural and functional imaging data from 273 Chinese individuals. A nearly automatic cortical processing technique was used to calculate cortical thickness for each subject. The results from cortical thickness analyses revealed a significant interaction between gender and expressive suppression in the superior frontal gyrus. Then, we conducted the whole-brain functional connectivity analysis with the seed of the superior frontal gyrus to explore the functionally related regions of brain. Subsequent analysis of the interaction between gender and expressive suppression indicated a significant functional connectivity between the superior frontal gyrus and default mode network (DMN) core regions, including the medial prefrontal cortex, precuneus and parahippocampal gyrus. Our results provided the robust empirical evidence illustrating the role of the superior frontal gyrus and DMN in gender difference of expressive suppression among the Chinese population. These findings might have implications for understanding gender difference in emotion processing and regulation. Copyright © 2017 IBRO. Published by Elsevier Ltd. All rights reserved.

  6. Solid phase stability of a double-minimum interaction potential system

    International Nuclear Information System (INIS)

    Suematsu, Ayumi; Yoshimori, Akira; Saiki, Masafumi; Matsui, Jun; Odagaki, Takashi

    2014-01-01

    We study phase stability of a system with double-minimum interaction potential in a wide range of parameters by a thermodynamic perturbation theory. The present double-minimum potential is the Lennard-Jones-Gauss potential, which has a Gaussian pocket as well as a standard Lennard-Jones minimum. As a function of the depth and position of the Gaussian pocket in the potential, we determine the coexistence pressure of crystals (fcc and bcc). We show that the fcc crystallizes even at zero pressure when the position of the Gaussian pocket is coincident with the first or third nearest neighbor site of the fcc crystal. The bcc crystal is more stable than the fcc crystal when the position of the Gaussian pocket is coincident with the second nearest neighbor sites of the bcc crystal. The stable crystal structure is determined by the position of the Gaussian pocket. These results show that we can control the stability of the solid phase by tuning the potential function

  7. [Correlation of codon biases and potential secondary structures with mRNA translation efficiency in unicellular organisms].

    Science.gov (United States)

    Vladimirov, N V; Likhoshvaĭ, V A; Matushkin, Iu G

    2007-01-01

    Gene expression is known to correlate with degree of codon bias in many unicellular organisms. However, such correlation is absent in some organisms. Recently we demonstrated that inverted complementary repeats within coding DNA sequence must be considered for proper estimation of translation efficiency, since they may form secondary structures that obstruct ribosome movement. We have developed a program for estimation of potential coding DNA sequence expression in defined unicellular organism using its genome sequence. The program computes elongation efficiency index. Computation is based on estimation of coding DNA sequence elongation efficiency, taking into account three key factors: codon bias, average number of inverted complementary repeats, and free energy of potential stem-loop structures formed by the repeats. The influence of these factors on translation is numerically estimated. An optimal proportion of these factors is computed for each organism individually. Quantitative translational characteristics of 384 unicellular organisms (351 bacteria, 28 archaea, 5 eukaryota) have been computed using their annotated genomes from NCBI GenBank. Five potential evolutionary strategies of translational optimization have been determined among studied organisms. A considerable difference of preferred translational strategies between Bacteria and Archaea has been revealed. Significant correlations between elongation efficiency index and gene expression levels have been shown for two organisms (S. cerevisiae and H. pylori) using available microarray data. The proposed method allows to estimate numerically the coding DNA sequence translation efficiency and to optimize nucleotide composition of heterologous genes in unicellular organisms. http://www.mgs.bionet.nsc.ru/mgs/programs/eei-calculator/.

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

    Science.gov (United States)

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

    2012-06-14

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

  9. Exploring the interactions and binding sites between Cd and functional groups in soil using two-dimensional correlation spectroscopy and synchrotron radiation based spectromicroscopies

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Fusheng [Jiangsu Provincial Key Lab for Organic Solid Waste Utilization and National Engineering Research Center for Organic-Based Fertilizers, College of Resources & Environmental Sciences, Nanjing Agricultural University, Nanjing 210095 (China); Department of Soil Science, North Carolina State University, Raleigh, NC 27695 (United States); Polizzotto, Matthew L. [Department of Soil Science, North Carolina State University, Raleigh, NC 27695 (United States); Guan, Dongxing [Key Laboratory of Surficial Geochemistry, Ministry of Education, School of Earth Sciences and Engineering, Nanjing University, Nanjing 210026 (China); Wu, Jun [College of Environment, Zhejiang University of Technology, Hangzhou 310014 (China); Shen, Qirong; Ran, Wei [Jiangsu Provincial Key Lab for Organic Solid Waste Utilization and National Engineering Research Center for Organic-Based Fertilizers, College of Resources & Environmental Sciences, Nanjing Agricultural University, Nanjing 210095 (China); Wang, Boren [Institute of Agricultural Resources and Regional Planning, Chinese Academy of Agricultural Sciences, Beijing 100081 (China); Yu, Guanghui, E-mail: yuguanghui@njau.edu.cn [Jiangsu Provincial Key Lab for Organic Solid Waste Utilization and National Engineering Research Center for Organic-Based Fertilizers, College of Resources & Environmental Sciences, Nanjing Agricultural University, Nanjing 210095 (China)

    2017-03-15

    Highlights: • The interactions and binding between Cd and functional groups are essential for their fates. • Two-dimensional correlation spectroscopy can identify Cd binding to functional groups in soils. • Synchrotron radiation based spectromicroscopy shows the micro-scale distribution of Cd in soils. • Soil functional groups controlling Cd binding can be modified by fertilization treatments. - Abstract: Understanding how heavy metals bind and interact in soils is essential for predicting their distributions, reactions and fates in the environment. Here we propose a novel strategy, i.e., combining two-dimensional correlation spectroscopy (2D COS) and synchrotron radiation based spectromicroscopies, for identifying heavy metal binding to functional groups in soils. The results showed that although long-term (23 yrs) organic fertilization treatment caused the accumulation of Cd (over 3 times) in soils when compared to no fertilization and chemical fertilization treatments, it significantly (p < 0.05) reduced the Cd concentration in wheat grain. The 2D COS analyses demonstrated that soil functional groups controlling Cd binding were modified by fertilization treatments, providing implications for the reduced bioavailability of heavy metals in organic fertilized soils. Furthermore, correlative micro X-ray fluorescence spectromicroscopy, electron probe micro-analyzer mapping, and synchrotron-radiation-based FTIR spectromicroscopy analysis showed that Cd, minerals, and organic functional groups were heterogeneously distributed at the micro-scale in soil colloids. Only minerals, rather than organic groups, had a similar distribution pattern with Cd. Together, this strategy has a potential to explore the interactions and binding sites among heavy metals, minerals and organic components in soil.

  10. Correlation between mammographic findings and corresponding histopathology. Potential predictors for biological characteristics of breast diseases

    International Nuclear Information System (INIS)

    Tamaki, Kentaro; Ishida, Takanori; Miyashita, Minoru; Amari, Masakazu; Ohuchi, Noriaki; Tamaki, Nobumitsu; Sasano, Hironobu

    2011-01-01

    The present study retrospectively evaluated the mammographic findings of 606 Japanese women with breast cancer (median age 50 years; range 27-89 years) and correlated them with histopathological characteristics. Mammographic findings were evaluated with an emphasis on mass shape, margin, density, calcification, and the presence of architectural distortion; these findings were correlated with histopathological characteristics such as intrinsic subtype, histological grade, lymphovascular invasion, and the Ki-67 labeling index. An irregular mass shape and masses with a spiculated margin were significantly higher in the group of patients with luminal A breast cancer than in patients with masses that were lobular or round, or in tumors with an indistinct or microlobulated periphery (P=0.017, P=0.024, P<0.001, and P=0.001, respectively). Irregular mass shape and spiculated periphery were significantly lower in patients with Grade 3 cancer (P<0.001 for both). In terms of lymphovascular invasion, there were significant differences between oval and irregular or round mass shape (P=0.008 and P=0.034), between tumors with a microlobulated and indistinct periphery (P=0.014), between tumors with a punctate and amorphous or pleomorphic calcification shape (P=0.030 and 0.038), and between the presence and absence of architectural distortion (P=0.027). Equivalent or low-density masses were also higher in Grade 1 breast cancers (P=0.007). There were significant differences in the Ki-67 labeling index between irregular and lobular or round tumors (P<0.001 and P=0.014), as well as between spiculated and indistinct or microlobulated tumors (P<0.001 for both). Significant differences were noted in the mammographic features of different primary breast cancer subtypes. These proposed mammographic diagnostic criteria based on biological characteristics may contribute to a more accurate prediction of biological behavior of breast malignancies. (author)

  11. The empirical form of the effective nucleon-nucleon interaction in a model space with correlated J = O pairs

    International Nuclear Information System (INIS)

    Akkermans, J.N.L.; Allaart, K.

    1982-01-01

    Like in earlier work by Schiffer et al. the effective interaction is derived from experimental two-body multiplets. However, now the assumption is that a multiplet state is formed by two unpaired fermions relative to a core of correlated J = 0 pairs. Then the need for two ranges, as proposed Schiffer, disappears for the force between identical nucleons in a model space which is large enough to include pairing correlations. A form with a single attractive medium range is preferred for the identical nucleon interaction in order to reproduce collective 2 + states in even-even nuclei. In contrast, the proton-neutron force requires a very short range or two ranges to reproduce the empirical values of multipole coefficients, observed in odd-odd nuclei. Therefore we discuss the fact that the effective interaction is not always isospin invariant. As a typical case broken-pair calculations in the N = 50 region are considered. But the conclusions drawn, will also apply to other regions of the periodic table. (orig.)

  12. Interface bonding in silicon oxide nanocontacts: interaction potentials and force measurements

    Science.gov (United States)

    Wierez-Kien, M.; Craciun, A. D.; Pinon, A. V.; Le Roux, S.; Gallani, J. L.; Rastei, M. V.

    2018-04-01

    The interface bonding between two silicon-oxide nanoscale surfaces has been studied as a function of atomic nature and size of contacting asperities. The binding forces obtained using various interaction potentials are compared with experimental force curves measured in vacuum with an atomic force microscope. In the limit of small nanocontacts (typically contact area which is altered by stretching speeds. The mean unbinding force is found to decrease as the contact spends time in the attractive regime. This contact weakening is featured by a negative aging coefficient which broadens and shifts the thermal-induced force distribution at low stretching speeds.

  13. Relaxation of the distribution function tails for gases with power-law interaction potentials

    International Nuclear Information System (INIS)

    Potapenko, I.F.; Bobylev, A.V.; de Azevedo, C.A.; de Assis, A.S.

    1997-01-01

    The relaxation of rarefied gases of particles with the power-law interaction potentials U=α/r s , where 1≤s<4, is considered. The formation and evolution of the distribution function tails are investigated on the basis of the one-dimensional kinetic Landau endash Fokker-Planck equation. For long times, the constructed asymptotic solutions have a propagating-wave appearance in the high velocity region. The analytical solutions are expressed explicitly in terms of the error function. The analytical consideration is accomplished by numerical calculations. The obtained analytical results are in a good agreement with the numerical simulation results. copyright 1997 The American Physical Society

  14. Evoked potential correlates of selective attention with multi-channel auditory inputs

    Science.gov (United States)

    Schwent, V. L.; Hillyard, S. A.

    1975-01-01

    Ten subjects were presented with random, rapid sequences of four auditory tones which were separated in pitch and apparent spatial position. The N1 component of the auditory vertex evoked potential (EP) measured relative to a baseline was observed to increase with attention. It was concluded that the N1 enhancement reflects a finely tuned selective attention to one stimulus channel among several concurrent, competing channels. This EP enhancement probably increases with increased information load on the subject.

  15. Study of Isospin Correlation in High Energy Heavy Ion Interactions with the RHIC PHENIX. Final Report

    International Nuclear Information System (INIS)

    Takahashi, Y.

    2003-01-01

    This report describes the research work performed under the support of the DOE research grant E-FG02-97ER4108. The work is composed of three parts: (1) Visual analysis and quality control of the Micro Vertex Detector (MVD) of the PHENIX experiments carried out of Brookhaven National Laboratory. (2) Continuation of the data analysis of the EMU05/09/16 experiments for the study of the inclusive particle production spectra and multi-particle correlation. (3) Exploration of a new statistical means to study very high-multiplicity of nuclear-particle ensembles and its perspectives to apply to the higher energy experiments

  16. Multifocal Visual Evoked Potential in Eyes With Temporal Hemianopia From Chiasmal Compression: Correlation With Standard Automated Perimetry and OCT Findings.

    Science.gov (United States)

    Sousa, Rafael M; Oyamada, Maria K; Cunha, Leonardo P; Monteiro, Mário L R

    2017-09-01

    To verify whether multifocal visual evoked potential (mfVEP) can differentiate eyes with temporal hemianopia due to chiasmal compression from healthy controls. To assess the relationship between mfVEP, standard automated perimetry (SAP), and Fourier domain-optical coherence tomography (FD-OCT) macular and peripapillary retinal nerve fiber layer (RNFL) thickness measurements. Twenty-seven eyes with permanent temporal visual field (VF) defects from chiasmal compression on SAP and 43 eyes of healthy controls were submitted to mfVEP and FD-OCT scanning. Multifocal visual evoked potential was elicited using a stimulus pattern of 60 sectors and the responses were averaged for the four quadrants and two hemifields. Optical coherence tomography macular measurements were averaged in quadrants and halves, while peripapillary RNFL thickness was averaged in four sectors around the disc. Visual field loss was estimated in four quadrants and each half of the 24-2 strategy test points. Multifocal visual evoked potential measurements in the two groups were compared using generalized estimated equations, and the correlations between mfVEP, VF, and OCT findings were quantified. Multifocal visual evoked potential-measured temporal P1 and N2 amplitudes were significantly smaller in patients than in controls. No significant difference in amplitude was observed for nasal parameters. A significant correlation was found between mfVEP amplitudes and temporal VF loss, and between mfVEP amplitudes and the corresponding OCT-measured macular and RNFL thickness parameters. Multifocal visual evoked potential amplitude parameters were able to differentiate eyes with temporal hemianopia from controls and were significantly correlated with VF and OCT findings, suggesting mfVEP is a useful tool for the detection of visual abnormalities in patients with chiasmal compression.

  17. Spatial and statistical methods for correlating the interaction between groundwater contamination and tap water exposure in karst regions

    Science.gov (United States)

    Padilla, I. Y.; Rivera, V. L.; Macchiavelli, R. E.; Torres Torres, N. I.

    2016-12-01

    Groundwater systems in karst regions are highly vulnerable to contamination and have an enormous capacity to store and rapidly convey pollutants to potential exposure zones over long periods of time. Contaminants in karst aquifers used for drinking water purposes can, therefore, enter distributions lines and the tap water point of use. This study applies spatial and statistical analytical methods to assess potential correlations between contaminants in a karst groundwater system in northern Puerto Rico and exposure in the tap water. It focuses on chlorinated volatile organic compounds (CVOC) and phthalates because of their ubiquitous presence in the environment and the potential public health impacts. The work integrates historical data collected from regulatory agencies and current field measurements involving groundwater and tap water sampling and analysis. Contaminant distributions and cluster analysis is performed with Geographic Information System technology. Correlations between detection frequencies and contaminants concentration in source groundwater and tap water point of use are assessed using Pearson's Chi Square and T-Test analysis. Although results indicate that correlations are contaminant-specific, detection frequencies are generally higher for total CVOC in groundwater than tap water samples, but greater for phthalates in tap water than groundwater samples. Spatial analysis shows widespread distribution of CVOC and phthalates in both groundwater and tap water, suggesting that contamination comes from multiple sources. Spatial correlation analysis indicates that association between tap water and groundwater contamination depends on the source and type of contaminants, spatial location, and time. Full description of the correlations may, however, need to take into consideration variable anthropogenic interventions.

  18. Isotropization in Bianchi type-I cosmological model with fermions and bosons interacting via Yukawa potential

    International Nuclear Information System (INIS)

    Ribas, M O; Samojeden, L L; Devecchi, F P; Kremer, G M

    2015-01-01

    In this work we investigate a model for the early Universe in a Bianchi type-I metric, where the sources of the gravitational field are a fermionic and a bosonic field, interacting through a Yukawa potential, following the standard model of elementary particles. It is shown that the fermionic field has a negative pressure, while the boson has a small positive pressure. The fermionic field is the responsible for an accelerated regime at early times, but since the total pressure tends to zero for large times, a transition to a decelerated regime occurs. Here the Yukawa potential answers for the duration of the accelerated regime, since by decreasing the value of its coupling constant the transition accelerated–decelerated occurs in later times. The isotropization which occurs for late times is due to the presence of the fermionic field as one of the sources of the gravitational field. (paper)

  19. Structural orderings of anisotropically confined colloids interacting via a quasi-square-well potential.

    Science.gov (United States)

    Campos, L Q Costa; Apolinario, S W S

    2015-01-01

    We implement Brownian dynamics to investigate the static properties of colloidal particles confined anisotropically and interacting via a potential which can be tailored in a repulsive-attractive-respulsive fashion as the interparticle distance increases. A diverse number of structural phases are self-assembled, which were classified according to two aspects, that is, their macroscopic and microscopic patterns. Concerning the microscopic phases we found the quasicrystalline, triangular, square, and mixed orderings, where this latter is a combination of square and triangular cells in a 3×2 proportion, i.e., the so-called (3(3),4(2)) Archimedian lattice. On the macroscopic level the system could self-organize in a compact or perforated single cluster surrounded or not by fringes. All the structural phases are summarized in detailed phases diagrams, which clearly show that the different phases are extended as the confinement potential becomes more anisotropic.

  20. Transport and interaction blockade of cold bosonic atoms in a triple-well potential

    International Nuclear Information System (INIS)

    Schlagheck, P; Malet, F; Cremon, J C; Reimann, S M

    2010-01-01

    We theoretically investigate the transport properties of cold bosonic atoms in a quasi-one-dimensional (1D) triple-well potential that consists of two large outer wells, which act as microscopic source and drain reservoirs, and a small inner well, which represents a quantum-dot-like scattering region. Bias and gate 'voltages' introduce a time-dependent tilt of the triple-well configuration, and are used to shift the energetic level of the inner well with respect to the outer ones. By means of exact diagonalization considering a total number of six atoms in the triple-well potential, we find diamond-like structures for the occurrence of single-atom transport in the parameter space spanned by the bias and gate voltages. We discuss the analogy with Coulomb blockade in electronic quantum dots, and point out how one can infer the interaction energy in the central well from the distance between the diamonds.

  1. Metastability and avalanche dynamics in strongly correlated gases with long-range interactions

    Science.gov (United States)

    Hruby, Lorenz; Dogra, Nishant; Landini, Manuele; Donner, Tobias; Esslinger, Tilman

    2018-03-01

    We experimentally study the stability of a bosonic Mott insulator against the formation of a density wave induced by long-range interactions and characterize the intrinsic dynamics between these two states. The Mott insulator is created in a quantum degenerate gas of 87-Rubidium atoms, trapped in a 3D optical lattice. The gas is located inside and globally coupled to an optical cavity. This causes interactions of global range, mediated by photons dispersively scattered between a transverse lattice and the cavity. The scattering comes with an atomic density modulation, which is measured by the photon flux leaking from the cavity. We initialize the system in a Mott-insulating state and then rapidly increase the global coupling strength. We observe that the system falls into either of two distinct final states. One is characterized by a low photon flux, signaling a Mott insulator, and the other is characterized by a high photon flux, which we associate with a density wave. Ramping the global coupling slowly, we observe a hysteresis loop between the two states—a further signature of metastability. A comparison with a theoretical model confirms that the metastability originates in the competition between short- and global-range interactions. From the increasing photon flux monitored during the switching process, we find that several thousand atoms tunnel to a neighboring site on the timescale of the single-particle dynamics. We argue that a density modulation, initially forming in the compressible surface of the trapped gas, triggers an avalanche tunneling process in the Mott-insulating region.

  2. Potential disturbance interactions with a single IGV in an F109 turbofan engine

    Science.gov (United States)

    Kirk, Joel F.

    A common cause of aircraft engine failure is the high cycle fatigue of engine blades and stators. One of the primary causes of these failures is due to blade row interactions, which cause an aerodynamic excitation to be resonant with a mechanical natural frequency. Traditionally, the primary source of such aerodynamic excitations has been practically limited to viscous wakes from upstream components. However, more advanced designs require that blade rows be very highly loaded and closely spaced. This results in aerodynamic excitation from potential fields of down stream engine components, in addition to the known wake excitations. An experimental investigation of the potential field from the fan of a Honeywell F109 turbofan engine has been completed. The investigation included velocity measurements upstream of the fan, addition of an airfoil shaped probe upstream of the fan on which surface pressure measurements were acquired, and measurement of the velocity in the interaction region between the probe and the fan. This investigation sought to characterize the response on the upstream probe due to the fan potential field and the interaction between a viscous wake and the potential field; as such, all test conditions were for subsonic fan speeds. The results from the collected data show that fan-induced potential disturbances propagate upstream at acoustic velocities, to produce vane surface-pressure amplitudes as high as 40 percent Joel F. Kirk of the inlet, mean total pressure. Further, these fan-induced pressure amplitudes display large variations between the two vane surfaces. An argument is made that the structure of the pressure response is consistent with the presence of two distinct sources of unsteady forcing disturbances. The disturbances on the incoming-rotation-facing surface of the IGV propagated upstream at a different speed than those on the outgoing-rotation-facing surface, indicating that one originated from a rotating source and the other from a

  3. Distribution of cardiac sodium channels in clusters potentiates ephaptic interactions in the intercalated disc.

    Science.gov (United States)

    Hichri, Echrak; Abriel, Hugues; Kucera, Jan P

    2018-02-15

    It has been proposed that ephaptic conduction, relying on interactions between the sodium (Na + ) current and the extracellular potential in intercalated discs, might contribute to cardiac conduction when gap junctional coupling is reduced, but this mechanism is still controversial. In intercalated discs, Na + channels form clusters near gap junction plaques, but the functional significance of these clusters has never been evaluated. In HEK cells expressing cardiac Na + channels, we show that restricting the extracellular space modulates the Na + current, as predicted by corresponding simulations accounting for ephaptic effects. In a high-resolution model of the intercalated disc, clusters of Na + channels that face each other across the intercellular cleft facilitate ephaptic impulse transmission when gap junctional coupling is reduced. Thus, our simulations reveal a functional role for the clustering of Na + channels in intercalated discs, and suggest that rearrangement of these clusters in disease may influence cardiac conduction. It has been proposed that ephaptic interactions in intercalated discs, mediated by extracellular potentials, contribute to cardiac impulse propagation when gap junctional coupling is reduced. However, experiments demonstrating ephaptic effects on the cardiac Na + current (I Na ) are scarce. Furthermore, Na + channels form clusters around gap junction plaques, but the electrophysiological significance of these clusters has never been investigated. In patch clamp experiments with HEK cells stably expressing human Na v 1.5 channels, we examined how restricting the extracellular space modulates I Na elicited by an activation protocol. In parallel, we developed a high-resolution computer model of the intercalated disc to investigate how the distribution of Na + channels influences ephaptic interactions. Approaching the HEK cells to a non-conducting obstacle always increased peak I Na at step potentials near the threshold of I Na activation

  4. Interaction of landscape varibles on the potential geographical distribution of parrots in the Yucatan Peninsula, Mexico

    Directory of Open Access Journals (Sweden)

    Plasencia–Vázquez, A. H.

    2014-12-01

    Full Text Available The loss, degradation, and fragmentation of forested areas are endangering parrot populations. In this study, we determined the influence of fragmentation in relation to vegetation cover, land use, and spatial configuration of fragments on the potential geographical distribution patterns of parrots in the Yucatan Peninsula, Mexico. We used the potential geographical distribution for eight parrot species, considering the recently published maps obtained with the maximum entropy algorithm, and we incorporated the probability distribution for each species. We calculated 71 metrics/variables that evaluate forest fragmentation, spatial configuration of fragments, the ratio occupied by vegetation, and the land use in 100 plots of approximately 29 km², randomly distributed within the presence and absence areas predicted for each species. We also considered the relationship between environmental variables and the distribution probability of species. We used a partial least squares regression to explore patterns between the variables used and the potential distribution models. None of the environmental variables analyzed alone determined the presence/absence or the probability distribution of parrots in the Peninsula. We found that for the eight species, either due to the presence/absence or the probability distribution, the most important explanatory variables were the interaction among three variables, particularly the interactions among the total forest area, the total edge, and the tropical semi–evergreen medium– height forest. Habitat fragmentation influenced the potential geographical distribution of these species in terms of the characteristics of other environmental factors that are expressed together with the geographical division, such as the different vegetation cover ratio and land uses in deforested areas.

  5. Correlated kinetic energy density functional of ground states of harmonically confined two-electron atoms for arbitrary interparticle interaction

    International Nuclear Information System (INIS)

    Amovilli, C; March, N H

    2012-01-01

    Utilizing the earlier work of Holas et al (2003 Phys. Lett. A 310 451) and the more recent contribution of Akbari et al (2009 Phys. Rev. A 80 032509), we construct an integral equation for the relative motion (RM) contribution t RM (r) to the correlated kinetic energy density for modelling two-electron atoms with harmonic confinement but arbitrary interparticle interaction. It is stressed that t RM = t RM [f(G)], where f(G) is the atomic scattering factor: the Fourier transform of the density ρ(r). As a simple illustrative example of this functional relation for the correlated kinetic energy density, the harmonic Moshinsky case is investigated, the scattering factor then having a Gaussian form. (paper)

  6. Childhood temperament: passive gene-environment correlation, gene-environment interaction, and the hidden importance of the family environment.

    Science.gov (United States)

    Lemery-Chalfant, Kathryn; Kao, Karen; Swann, Gregory; Goldsmith, H Hill

    2013-02-01

    Biological parents pass on genotypes to their children, as well as provide home environments that correlate with their genotypes; thus, the association between the home environment and children's temperament can be genetically (i.e., passive gene-environment correlation) or environmentally mediated. Furthermore, family environments may suppress or facilitate the heritability of children's temperament (i.e., gene-environment interaction). The sample comprised 807 twin pairs (mean age = 7.93 years) from the longitudinal Wisconsin Twin Project. Important passive gene-environment correlations emerged, such that home environments were less chaotic for children with high effortful control, and this association was genetically mediated. Children with high extraversion/surgency experienced more chaotic home environments, and this correlation was also genetically mediated. In addition, heritability of children's temperament was moderated by home environments, such that effortful control and extraversion/surgency were more heritable in chaotic homes, and negative affectivity was more heritable under crowded or unsafe home conditions. Modeling multiple types of gene-environment interplay uncovered the complex role of genetic factors and the hidden importance of the family environment for children's temperament and development more generally.

  7. The correlation between fragility, density, and atomic interaction in glass-forming liquids

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Lijin; Guan, Pengfei, E-mail: pguan@csrc.ac.cn [Beijing Computational Science Research Center, Beijing 100193 (China); Wang, W. H. [Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China)

    2016-07-21

    The fragility that controls the temperature-dependent viscous properties of liquids as the glass transition is approached, in various glass-forming liquids with different softness of the repulsive part of atomic interactions at different densities, is investigated by molecular dynamic simulations. We show that the landscape of fragility in purely repulsive systems can be separated into three regions denoted as R{sub I,} R{sub II}, and R{sub III}, respectively, with qualitatively disparate dynamic behaviors: R{sub I} which can be described by “softness makes strong glasses,” R{sub II} where fragility is independent of softness and can only be tuned by density, and R{sub III} with constant fragility, suggesting that density plays an unexpected role for understanding the repulsive softness dependence of fragility. What is more important is that we unify the long-standing inconsistence with respect to the repulsive softness dependence of fragility by observing that a glass former can be tuned more fragile if nonperturbative attraction is added into it. Moreover, we find that the vastly dissimilar influences of attractive interaction on fragility could be estimated from the structural properties of related zero-temperature glasses.

  8. The correlation between fragility, density, and atomic interaction in glass-forming liquids

    International Nuclear Information System (INIS)

    Wang, Lijin; Guan, Pengfei; Wang, W. H.

    2016-01-01

    The fragility that controls the temperature-dependent viscous properties of liquids as the glass transition is approached, in various glass-forming liquids with different softness of the repulsive part of atomic interactions at different densities, is investigated by molecular dynamic simulations. We show that the landscape of fragility in purely repulsive systems can be separated into three regions denoted as R I, R II , and R III , respectively, with qualitatively disparate dynamic behaviors: R I which can be described by “softness makes strong glasses,” R II where fragility is independent of softness and can only be tuned by density, and R III with constant fragility, suggesting that density plays an unexpected role for understanding the repulsive softness dependence of fragility. What is more important is that we unify the long-standing inconsistence with respect to the repulsive softness dependence of fragility by observing that a glass former can be tuned more fragile if nonperturbative attraction is added into it. Moreover, we find that the vastly dissimilar influences of attractive interaction on fragility could be estimated from the structural properties of related zero-temperature glasses.

  9. The correlation between fragility, density, and atomic interaction in glass-forming liquids.

    Science.gov (United States)

    Wang, Lijin; Guan, Pengfei; Wang, W H

    2016-07-21

    The fragility that controls the temperature-dependent viscous properties of liquids as the glass transition is approached, in various glass-forming liquids with different softness of the repulsive part of atomic interactions at different densities, is investigated by molecular dynamic simulations. We show that the landscape of fragility in purely repulsive systems can be separated into three regions denoted as RI, RII, and RIII, respectively, with qualitatively disparate dynamic behaviors: RI which can be described by "softness makes strong glasses," RII where fragility is independent of softness and can only be tuned by density, and RIII with constant fragility, suggesting that density plays an unexpected role for understanding the repulsive softness dependence of fragility. What is more important is that we unify the long-standing inconsistence with respect to the repulsive softness dependence of fragility by observing that a glass former can be tuned more fragile if nonperturbative attraction is added into it. Moreover, we find that the vastly dissimilar influences of attractive interaction on fragility could be estimated from the structural properties of related zero-temperature glasses.

  10. Genetic variations in the DNA replication origins of human papillomavirus family correlate with their oncogenic potential.

    Science.gov (United States)

    Yilmaz, Gulden; Biswas-Fiss, Esther E; Biswas, Subhasis B

    2018-04-01

    Human papillomaviruses (HPVs) encompass a large family of viruses that range from benign to highly carcinogenic. The crucial differences between benign and carcinogenic types of HPV remain unknown, except that the two HPV types differ in the frequency of DNA replication. We have systematically analyzed the mechanism of HPV DNA replication initiation in low-risk and high-risk HPVs. Our results demonstrate that HPV-encoded E2 initiator protein and its four binding sites in the replication origin play pivotal roles in determining the destiny of the HPV-infected cell. We have identified strain-specific single nucleotide variations in E2 binding sites found only in the high-risk HPVs. We have demonstrated that these variations result in attenuated formation of the E2-DNA complex. E2 binding to these sites is linked to the activation of the DNA replication origin as well as initiation of DNA replication. Both electrophoretic mobility shift assay and atomic force microscopy studies demonstrated that binding of E2 from either low- or high-risk HPVs with variant binding sequences lacked multimeric E2-DNA complex formation in vitro. These results provided a molecular basis of differential DNA replication in the two types of HPVs and pointed to a correlation with the development of cancer. Copyright © 2017. Published by Elsevier B.V.

  11. Quantum electrodynamics with nonrelativistic sources. V. Electromagnetic field correlations and intermolecular interactions between molecules in either ground or excited states

    International Nuclear Information System (INIS)

    Power, E.A.; Thirunamachandran, T.

    1993-01-01

    Spatial correlations between electromagnetic fields arising from neutral sources with electric-dipole transition moments are calculated using nonrelativistic quantum electrodynamics in the multipolar formalism. Expressions for electric-electric, magnetic-magnetic, and electric-magnetic correlation functions at two points r and r' are given for a source molecule in either a ground or an excited state. In contrast to the electric-electric and magnetic-magnetic cases there are no electric-magnetic correlations for a ground-state molecule. For an excited molecule the downward transitions contribute additional terms which have modulating factors depending on (r-r')/λ. From these correlation functions electric and magnetic energy densities are found by setting r=r'. These energy densities are then used in a response formalism to calculate intermolecular energy shifts. In the case of two ground-state molecules this leads to the Casimir-Polder potential. However, for a pair of molecules, one or both excited, there are additional terms arising from downward transitions. An important feature of these energies is that they exhibit an R -2 dependence for large intermolecular separations R. This dependence is interpreted in terms of the Poynting vector, which itself can be obtained by setting r=r' in the electric-magnetic correlation function

  12. Stability of fenbendazole suspensions for veterinary use. Correlation between zeta potential and sedimentation.

    Science.gov (United States)

    Arias, José L; López-Viota, Margarita; Clares, Beatriz; Ruiz, Ma Adolfina

    2008-08-07

    In this paper we have carried out a detailed investigation of the stability and redispersibility characteristics of fenbendazole aqueous suspensions, through a thermodynamic and electrokinetic characterization, considering the effect of both pH and ionic strength. The hydrophobic character of the drug, and the surface charge and electrical double-layer thickness play an essential role in the stability of the system, hence the need for a full characterization of fenbendazole. It was found that the drug suspensions displays "delayed" or "hindered" sedimentation, determined by their hydrophobic character and their low zeta potential (indicating a small electrokinetic charge on the particles). The electrostatic repulsion between the particles is responsible for the low sedimentation volume and poor redispersibility of the drug. However, only low concentrations of AlCl(3) induced a significant effect on both the zeta potential and stability of the drug, leading to a "free-layered" sedimentation and a very easy redispersion which could be of great interest in the design of an oral pharmaceutical dosage form for veterinary.

  13. Cubic–quintic long-range interactions with double well potentials

    International Nuclear Information System (INIS)

    Tsilifis, Panagiotis A; Kevrekidis, Panayotis G; Rothos, Vassilis M

    2014-01-01

    In the present work, we examine the combined effects of cubic and quintic terms of the long-range type in the dynamics of a double well potential. Employing a two-mode approximation, we systematically develop two cubic–quintic ordinary differential equations and assess the contributions of the long-range interactions in each of the relevant prefactors, gauging how to simplify the ensuing dynamical system. Finally, we obtain a reduced canonical description for the conjugate variables of relative population imbalance and relative phase between the two wells and proceed to a dynamical systems analysis of the resulting pair of ordinary differential equations. While in the case of cubic and quintic interactions of the same kind (e.g. both attractive or both repulsive), only a symmetry-breaking bifurcation can be identified, a remarkable effect that emerges e.g. in the setting of repulsive cubic but attractive quintic interactions is a ‘symmetry-restoring’ bifurcation. Namely, in addition to the supercritical pitchfork that leads to a spontaneous symmetry breaking of the antisymmetric state, there is a subcritical pitchfork that eventually reunites the asymmetric daughter branch with the antisymmetric parent one. The relevant bifurcations, the stability of the branches and their dynamical implications are examined both in the reduced (ODE) and in the full (PDE) setting. The model is argued to be of physical relevance, especially so in the context of optical thermal media. (paper)

  14. Hidden sources of grapefruit in beverages: potential interactions with immunosuppressant medications.

    Science.gov (United States)

    Auten, Ashley A; Beauchamp, Lauren N; Joshua Taylor; Hardinger, Karen L

    2013-06-01

    The interaction between grapefruit-containing beverages and immunosuppressants is not well defined in the literature. This study was conducted to investigate possible sources of grapefruit juice or grapefruit extract in common US-manufactured beverages. The goal was to identify those products that might serve as hidden sources of dietary grapefruit intake, increasing a transplant patient's risk for drug interactions. A careful review of the ingredients of the 3 largest US beverage manufacturer's product lines was conducted through manufacturer correspondence, product labeling examination, and online nutrition database research. Focus was placed on citrus-flavored soft drinks, teas, and juice products and their impact on a patient's immunosuppressant regimens. Twenty-three beverages were identified that contained grapefruit. Five did not contain the word "grapefruit" in the product name. In addition to the confirmed grapefruit-containing products, 17 products were identified as possibly containing grapefruit juice or grapefruit extract. A greater emphasis should be placed upon properly educating patients regarding hidden sources of grapefruit in popular US beverages and the potential for food-drug interactions.

  15. Molecular Insights into the Potential Toxicological Interaction of 2-Mercaptothiazoline with the Antioxidant Enzyme—Catalase

    Science.gov (United States)

    Huang, Zhenxing; Huang, Ming; Mi, Chenyu; Wang, Tao; Chen, Dong; Teng, Yue

    2016-01-01

    2-mercaptothiazoline (2-MT) is widely used in many industrial fields, but its residue is potentially harmful to the environment. In this study, to evaluate the biological toxicity of 2-MT at protein level, the interaction between 2-MT and the pivotal antioxidant enzyme—catalase (CAT) was investigated using multiple spectroscopic techniques and molecular modeling. The results indicated that the CAT fluorescence quenching caused by 2-MT should be dominated by a static quenching mechanism through formation of a 2-MT/CAT complex. Furthermore, the identifications of the binding constant, binding forces, and the number of binding sites demonstrated that 2-MT could spontaneously interact with CAT at one binding site mainly via Van der Waals’ forces and hydrogen bonding. Based on the molecular docking simulation and conformation dynamic characterization, it was found that 2-MT could bind into the junctional region of CAT subdomains and that the binding site was close to enzyme active sites, which induced secondary structural and micro-environmental changes in CAT. The experiments on 2-MT toxicity verified that 2-MT significantly inhibited CAT activity via its molecular interaction, where 2-MT concentration and exposure time both affected the inhibitory action. Therefore, the present investigation provides useful information for understanding the toxicological mechanism of 2-MT at the molecular level. PMID:27537873

  16. [Prevalence of Avoidable Potential Interactions Between Antidepressants and Other Drugs in Colombian Patients].

    Science.gov (United States)

    Machado-Alba, Jorge E; Morales-Plaza, Cristhian David

    2013-06-01

    To determine the possible drugs interactions with antidepressive agents in data bases of patients in the Health Insurance System of Colombia. From data bases of about 4 million users in Colombia, a systematic review of drugs dispensation statistics was made to identify drug interactions between antidepressive agents, cholinergic antagonists and tramadol in 2010. We identified 114,465 monthly users of antidepressive agents. Of these, 5776 (5.0%) received two, and 178 (0.2%) received three antidepressive agents simultaneously. The most frequent combination was fluoxetine+trazodone (n=3235; 56.9% of cases). About 1127 (1.0%) patients were prescribed a cholinergic antagonist simultaneously; 2523 (2.1%) users were dispensed tramadol at the same time, while raising the risk of serotonin syndrome. Drug interactions represent a potential risk that is often underestimated by physicians. Pharmacovigilance is a useful tool to optimize resources and prevent negative outcomes associated with medication. It is recommended that systematic search is made to enhance surveillance programs for the rational use of medicines in this country. Copyright © 2013 Asociación Colombiana de Psiquiatría. Publicado por Elsevier España. All rights reserved.

  17. Chemical compounds from anthropogenic environment and immune evasion mechanisms: potential interactions

    Science.gov (United States)

    Kravchenko, Julia; Corsini, Emanuela; Williams, Marc A.; Decker, William; Manjili, Masoud H.; Otsuki, Takemi; Singh, Neetu; Al-Mulla, Faha; Al-Temaimi, Rabeah; Amedei, Amedeo; Colacci, Anna Maria; Vaccari, Monica; Mondello, Chiara; Scovassi, A. Ivana; Raju, Jayadev; Hamid, Roslida A.; Memeo, Lorenzo; Forte, Stefano; Roy, Rabindra; Woodrick, Jordan; Salem, Hosni K.; Ryan, Elizabeth P.; Brown, Dustin G.; Lowe, Leroy; Lyerly, H.Kim

    2015-01-01

    An increasing number of studies suggest an important role of host immunity as a barrier to tumor formation and progression. Complex mechanisms and multiple pathways are involved in evading innate and adaptive immune responses, with a broad spectrum of chemicals displaying the potential to adversely influence immunosurveillance. The evaluation of the cumulative effects of low-dose exposures from the occupational and natural environment, especially if multiple chemicals target the same gene(s) or pathway(s), is a challenge. We reviewed common environmental chemicals and discussed their potential effects on immunosurveillance. Our overarching objective was to review related signaling pathways influencing immune surveillance such as the pathways involving PI3K/Akt, chemokines, TGF-β, FAK, IGF-1, HIF-1α, IL-6, IL-1α, CTLA-4 and PD-1/PDL-1 could individually or collectively impact immunosurveillance. A number of chemicals that are common in the anthropogenic environment such as fungicides (maneb, fluoxastrobin and pyroclostrobin), herbicides (atrazine), insecticides (pyridaben and azamethiphos), the components of personal care products (triclosan and bisphenol A) and diethylhexylphthalate with pathways critical to tumor immunosurveillance. At this time, these chemicals are not recognized as human carcinogens; however, it is known that they these chemicalscan simultaneously persist in the environment and appear to have some potential interfere with the host immune response, therefore potentially contributing to promotion interacting with of immune evasion mechanisms, and promoting subsequent tumor growth and progression. PMID:26002081

  18. Reward-prospect interacts with trial-by-trial preparation for potential distraction.

    Science.gov (United States)

    Marini, Francesco; van den Berg, Berry; Woldorff, Marty G

    2015-02-01

    When attending for impending visual stimuli, cognitive systems prepare to identify relevant information while ignoring irrelevant, potentially distracting input. Recent work (Marini et al., 2013) showed that a supramodal distracter-filtering mechanism is invoked in blocked designs involving expectation of possible distracter stimuli, although this entails a cost ( distraction-filtering cost ) on speeded performance when distracters are expected but not presented. Here we used an arrow-flanker task to study whether an analogous cost, potentially reflecting the recruitment of a specific distraction-filtering mechanism, occurs dynamically when potential distraction is cued trial-to-trial ( cued distracter-expectation cost ). In order to promote the maximal utilization of cue information by participants, in some experimental conditions the cue also signaled the possibility of earning a monetary reward for fast and accurate performance. This design also allowed us to investigate the interplay between anticipation for distracters and anticipation of reward, which is known to engender attentional preparation. Only in reward contexts did participants show a cued distracter-expectation cost, which was larger with higher reward prospect and when anticipation for both distracters and reward were manipulated trial-to-trial. Thus, these results indicate that reward prospect interacts with the distracter expectation during trial-by-trial preparatory processes for potential distraction. These findings highlight how reward guides cue-driven attentional preparation.

  19. Study on the interference correlations between the pions in the K-p interactions at 32 GeV/c

    International Nuclear Information System (INIS)

    Babintsev, V.V.; Bryzgalov, V.V.; Bryukhanova, T.M.; Levitski, M.S.; Moiseev, A.M.; Patalakha, D.I.; Proskuryakov, A.S.

    1981-01-01

    Interference effects between identical pions in K - p interactions at 32 GeV/c are studied. Positive short-range interference correlations have been found in both π + π + and π - π - systems. It is shown that the background noise, calculated using the π + π - pairs produced in the same event, essentially affect the magnitude and the shape of the effect. With more correct determination of the background noise the transverse radius of the pion emission range is estimated to be Rsub(T) approximately 2 Fm [ru

  20. The interaction between nitrobenzene and Microcystis aeruginosa and its potential to impact water quality.

    Science.gov (United States)

    Liu, Zhiquan; Cui, Fuyi; Ma, Hua; Fan, Zhenqiang; Zhao, Zhiwei; Hou, Zhenling; Liu, Dongmei; Jia, Xuebin

    2013-08-01

    The potential water quality problems caused by the interaction between nitrobezene (NB) and Microcystis aeruginosa was investigated by studying the growth inhibition, the haloacetic acids formation potential (HAAFP) and the secretion of microcystin-LR (MC-LR). The results showed that NB can inhibit the growth of M. aeruginosa, and the value of EC50 increased with the increase of initial algal density. Although NB can hardly react with chlorine to form HAAs, the presence of NB can enhance the HAAFP productivity. The secretion of the intracellular MC-LR is constant under the steady experimental conditions. However, the presence of NB can reduce the MC-LR productivity of M. aeruginosa. Overall, the increased disinfection risk caused by the interaction has more important effect on the safety of drinking water quality than the benefit of the decreased MC-LR productivity, and should be serious considered when the water contained NB and M. aeruginosa is used as drinking water source. Copyright © 2013 Elsevier Ltd. All rights reserved.

  1. From interatomic interaction potentials via Einstein field equation techniques to time dependent contact mechanics

    International Nuclear Information System (INIS)

    Schwarzer, N

    2014-01-01

    In order to understand the principle differences between rheological or simple stress tests like the uniaxial tensile test to contact mechanical tests and the differences between quasistatic contact experiments and oscillatory ones, this study resorts to effective first principles. This study will show how relatively simple models simulating bond interactions in solids using effective potentials like Lennard-Jones and Morse can be used to investigate the effect of time dependent stress-induced softening or stiffening of these solids. The usefulness of the current study is in the possibility of deriving relatively simple dependences of the bulk-modulus B on time, shear and pressure P with time t. In cases where it is possible to describe, or at least partially describe a material by Lennard-Jones potential approaches, the above- mentioned dependences are even completely free of microscopic material parameters. Instead of bond energies and length, only specific integral parameters like Young’s modulus and Poisson’s ratio are required. However, in the case of time dependent (viscose) material behavior the parameters are not constants anymore. They themselves depend on time and the actual stress field, especially the shear field. A body completely consisting of so called standard linear solid interacting particles will then phenomenologically show a completely different and usually much more complicated mechanical behavior. The influence of the time dependent pressure-shear-induced Young’s modulus change is discussed with respect to mechanical contact experiments and their analysis in the case of viscose materials. (papers)

  2. Baryon interactions in lattice QCD: the direct method vs. the HAL QCD potential method

    Science.gov (United States)

    Iritani, T.; HAL QCD Collaboration

    We make a detailed comparison between the direct method and the HAL QCD potential method for the baryon-baryon interactions, taking the $\\Xi\\Xi$ system at $m_\\pi= 0.51$ GeV in 2+1 flavor QCD and using both smeared and wall quark sources. The energy shift $\\Delta E_\\mathrm{eff}(t)$ in the direct method shows the strong dependence on the choice of quark source operators, which means that the results with either (or both) source are false. The time-dependent HAL QCD method, on the other hand, gives the quark source independent $\\Xi\\Xi$ potential, thanks to the derivative expansion of the potential, which absorbs the source dependence to the next leading order correction. The HAL QCD potential predicts the absence of the bound state in the $\\Xi\\Xi$($^1$S$_0$) channel at $m_\\pi= 0.51$ GeV, which is also confirmed by the volume dependence of finite volume energy from the potential. We also demonstrate that the origin of the fake plateau in the effective energy shift $\\Delta E_\\mathrm{eff}(t)$ at $t \\sim 1$ fm can be clarified by a few low-lying eigenfunctions and eigenvalues on the finite volume derived from the HAL QCD potential, which implies that the ground state saturation of $\\Xi\\Xi$($^1$S$_0$) requires $t \\sim 10$ fm in the direct method for the smeared source on $(4.3 \\ \\mathrm{fm})^3$ lattice, while the HAL QCD method does not suffer from such a problem.

  3. 3d-4f magnetic interaction with density functional theory plus u approach: local Coulomb correlation and exchange pathways.

    Science.gov (United States)

    Zhang, Yachao; Yang, Yang; Jiang, Hong

    2013-12-12

    The 3d-4f exchange interaction plays an important role in many lanthanide based molecular magnetic materials such as single-molecule magnets and magnetic refrigerants. In this work, we study the 3d-4f magnetic exchange interactions in a series of Cu(II)-Gd(III) (3d(9)-4f(7)) dinuclear complexes based on the numerical atomic basis-norm-conserving pseudopotential method and density functional theory plus the Hubbard U correction approach (DFT+U). We obtain improved description of the 4f electrons by including the semicore 5s5p states in the valence part of the Gd-pseudopotential. The Hubbard U correction is employed to treat the strongly correlated Cu-3d and Gd-4f electrons, which significantly improve the agreement of the predicted exchange constants, J, with experiment, indicating the importance of accurate description of the local Coulomb correlation. The high efficiency of the DFT+U approach enables us to perform calculations with molecular crystals, which in general improve the agreement between theory and experiment, achieving a mean absolute error smaller than 2 cm(-1). In addition, through analyzing the physical effects of U, we identify two magnetic exchange pathways. One is ferromagnetic and involves an interaction between the Cu-3d, O-2p (bridge ligand), and the majority-spin Gd-5d orbitals. The other one is antiferromagnetic and involves Cu-3d, O-2p, and the empty minority-spin Gd-4f orbitals, which is suppressed by the planar Cu-O-O-Gd structure. This study demonstrates the accuracy of the DFT+U method for evaluating the 3d-4f exchange interactions, provides a better understanding of the exchange mechanism in the Cu(II)-Gd(III) complexes, and paves the way for exploiting the magnetic properties of the 3d-4f compounds containing lanthanides other than Gd.

  4. Shallow soil moisture – ground thaw interactions and controls – Part 1: Spatiotemporal patterns and correlations over a subarctic landscape

    Directory of Open Access Journals (Sweden)

    X. J. Guan

    2010-07-01

    Full Text Available Soil moisture and ground thaw state are both indicative of a hillslope's ability to transfer water. In cold regions, in particular, it is widely known that the depth of the active layer and wetness of surface soils are important for runoff generation, but the diversity of interactions between ground thaw and surface soil moisture themselves has not been studied. To fill this knowledge gap, detailed shallow soil moisture and thaw depth surveys were conducted along systematic grids at the Baker Creek Basin, Northwest Territories. Multiple hillslopes were studied to determine how the interactions differed along a spectrum of topological, typological and topographic situations across the landscape. Overall results did not show a simple link between soil moisture and ground thaw as was expected. Instead, correlation was a function of wetness. The interaction between soil moisture and ground thaw was more dependent at wetter sites. This indicates that interactive soil moisture and thaw depth behaviour on hillslopes in cold regions changes with location and cannot necessarily be lumped together in hydrological models. To explore further why these differences arise, a companion paper (Guan et al., 2010 will examine how the hydrological and energy fluxes influenced the patterns of moisture and thaw among the study sites.

  5. Correlation function distributions in rapidity for pairs of π mesons in K-p interactions at 32 GeV/c

    International Nuclear Information System (INIS)

    Bumazhnov, V.A.; Babintsev, V.V.; Bogolyubskij, M.Yu.

    1983-01-01

    The inclusive and semiinclusiVe distributions of correlation functions in K - p-interactions at 32 GeV/c are presented as functions of rapidity. The positive short range correlations among rapidities of two charged pions reach maximUm in fragmentation ranges of incoming hadrons. The correlations become central and increase with rising of transverse momentum. Maximum values of correlations in the π + π - and π - π - systems oc in the region of negative and positive values of rasidity

  6. Neural correlates of economic value and valuation context: an event-related potential study.

    Science.gov (United States)

    Tyson-Carr, John; Kokmotou, Katerina; Soto, Vicente; Cook, Stephanie; Fallon, Nicholas; Giesbrecht, Timo; Stancak, Andrej

    2018-05-01

    The value of environmental cues and internal states is continuously evaluated by the human brain, and it is this subjective value that largely guides decision making. The present study aimed to investigate the initial value attribution process, specifically the spatiotemporal activation patterns associated with values and valuation context, using electroencephalographic event-related potentials (ERPs). Participants completed a stimulus rating task in which everyday household items marketed up to a price of £4 were evaluated with respect to their desirability or material properties. The subjective values of items were evaluated as willingness to pay (WTP) in a Becker-DeGroot-Marschak auction. On the basis of the individual's subjective WTP values, the stimuli were divided into high- and low-value items. Source dipole modeling was applied to estimate the cortical sources underlying ERP components modulated by subjective values (high vs. low WTP) and the evaluation condition (value-relevant vs. value-irrelevant judgments). Low-WTP items and value-relevant judgments both led to a more pronounced N2 visual evoked potential at right frontal scalp electrodes. Source activity in right anterior insula and left orbitofrontal cortex was larger for low vs. high WTP at ∼200 ms. At a similar latency, source activity in right anterior insula and right parahippocampal gyrus was larger for value-relevant vs. value-irrelevant judgments. A stronger response for low- than high-value items in anterior insula and orbitofrontal cortex appears to reflect aversion to low-valued item acquisition, which in an auction experiment would be perceived as a relative loss. This initial low-value bias occurs automatically irrespective of the valuation context. NEW & NOTEWORTHY We demonstrate the spatiotemporal characteristics of the brain valuation process using event-related potentials and willingness to pay as a measure of subjective value. The N2 component resolves values of objects with a

  7. Generalized augmented space theorem for correlated disorder and cluster coherent potential approximation

    International Nuclear Information System (INIS)

    Mookerjee, A.; Prasad, R.

    1993-09-01

    We present a method for calculating the electronic structure of disordered alloys with short range order (SRO) which guarantees positive density of states for all values of the SRO parameter. The method is based on the generalized augmented space theorem which is valid for alloys with SRO. This theorem is applied to alloys with SRO in the tight-binding linear muffin-tin orbital (TB-LMTO) framework. This is done by using the augmented space formulation of Mookerjee and cluster coherent potential approximation. As an illustration, the method is applied to a single band mode TB-LMTO Hamiltonian. We find that the SRO can induce substantial changes in the density of states. (author). 22 refs, 2 figs

  8. Solvated electron: criticism of a suggested correlation of chemical potential with optical absorption energy

    International Nuclear Information System (INIS)

    Farhataziz, M.

    1984-01-01

    A recent theoretical treatment of the absorption spectrum of the solvated electron, e - sub(s), maintains that rigorously μ 0 >= -0.75 Esub(av), which gives empirical relationship, μ 0 >= -(0.93 +- 0.02)Esub(max). For e - sub(s) in a particular solvent at a temperature and pressure, μ 0 , Esub(av) and Esub(max) are standard chemical potential, average energy of the absorption spectrum and the energy at the absorption maximum respectively. The temperature and pressure effects on the absorption spectrum of e - sub(s) in water and liquid ammonia do not support the equality sign in the above cited relationships. The implications of inequality expressed above are discussed for e - sub(s) in water and liquid ammonia. (author)

  9. Structural Correlation of Some Heterocyclic Chalcone Analogues and Evaluation of Their Antioxidant Potential

    Directory of Open Access Journals (Sweden)

    Hoong-Kun Fun

    2013-09-01

    Full Text Available A series of six novel heterocyclic chalcone analogues 4(a–f has been synthesized by condensing 2-acetyl-5-chlorothiophene with benzaldehyde derivatives in methanol at room temperature using a catalytic amount of sodium hydroxide. The newly synthesized compounds are characterized by IR, mass spectra, elemental analysis and melting point. Subsequently; the structures of these compounds were determined using single crystal X-ray diffraction. All the synthesized compounds were screened for their antioxidant potential by employing various in vitro models such as DPPH free radical scavenging assay, ABTS radical scavenging assay, ferric reducing antioxidant power and cupric ion reducing antioxidant capacity. Results reflect the structural impact on the antioxidant ability of the compounds. The IC50 values illustrate the mild to good antioxidant activities of the reported compounds. Among them, 4f with a p-methoxy substituent was found to be more potent as antioxidant agent.

  10. Potential drug-drug interactions in a Brazilian teaching hospital: age-related differences?

    Directory of Open Access Journals (Sweden)

    Daniela Oliveira Melo

    2016-07-01

    Full Text Available This study proposes to measure frequency and to characterize the profile of potential drug interactions (pDDI in a general medicine ward of a teaching hospital. Data about identification and clinical status of patients were extracted from medical records between March to August 2006. The occurrence of pDDI was analyzed using the database monographs Micromedex® DrugReax® System. From 5,336 prescriptions with two or more drugs, 3,097 (58.0% contained pDDI. The frequency of major and well document pDDI was 26.5%. Among 647 patients, 432 (66.8% were exposed to at least one pDDI and 283 (43.7% to major pDDI. The multivariate analysis identified that factors related to higher rates of major pDDI were the same age (p< 0.0001, length of stay (p< 0.0001, prevalence of hypertension [OR=3.42 (p< 0.0001] and diabetes mellitus [OR=2.1 (p< 0.0001], cardiovascular diseases (p< 0.0001 and the number of prescribed drugs (Spearman’s correlation=0.640622, p< 0.0001. Between major pDDI, the main risk was hemorrhage (50.3%, the most frequent major pDDI involved combination of anticoagulants and antiplatelet drugs. Among moderate pDDI, 3,866 (90.8% involved medicines for the treatment of chronic non-communicable diseases, mainly hypertension. In HU-USP, the profile of pDDI was similar among adults and elderly (the most frequent pDDI and major pDDI were same, the difference was only the frequency in either group. The efforts of the clinical pharmacists should be directed to elderly patients with cardiovascular compromise, mainly in use of anticoagulants and antiplatelet drugs. Furthermore, hospital managers should increase the integration between levels of health care to promote safety patient after discharge.Keywords: Drug interactions. Aged. Internal Medicine. Hospitals, University. RESUMOInterações medicamentosas potenciais em um hospital escolar brasileiro: diferenças relacionadas à idade?O estudo tem por objetivo descrever o perfil de intera

  11. Colony variation of Helicobacter pylori: pathogenic potential is correlated to cell wall lipid composition.

    Science.gov (United States)

    Bukholm, G; Tannaes, T; Nedenskov, P; Esbensen, Y; Grav, H J; Hovig, T; Ariansen, S; Guldvog, I

    1997-05-01

    Differences in expression of disease after infection with Helicobacter pylori have so far been connected with host factors and bacterial interstrain variation. In this study, spontaneous and ecology-mediated intrastrain variation was examined. Four clinical isolates of H. pylori were shown to give rise to two colony forms. Bacterial morphology was examined by electron microscopy. Bacterial fractions were examined for proteins using ion exchange chromatography and SDS-PAGE; for lipids using thin-layer chromatography, lipid anion-exchange chromatography, column chromatography on silica gel, 31P-NMR, gas chromatography and mass spectrometry. Bacterial in vitro invasiveness and adhesiveness were examined in two different systems, and urease and VacA toxin were assayed by Western blot analysis. H. pylori was shown to give rise to two colony forms: at normal pH the population was dominated by L colonies. One strain was chosen for further studies. Bacteria from L colonies retained VacA toxin and urease, did not invade or adhere to epithelial cells, and contained normal quantities of phosphatidylethanolamine. In a small frequency, spontaneous S colonies were formed. Bacteria from these colonies released VacA and urease, adhered to and invaded epithelial cells and contained increased amounts of lysophosphatidyl ethanolamine and phosphatidyl serine. After addition of HCl to the culture medium (pH6), almost only S colonies were formed. The results demonstrate that environmental factors, such as HCl, can change the bacterial cell wall, and thereby enhance expression of virulence factors of H. pylori in vitro. A similar in vivo variation would have implications for our understanding of the interaction between HCl secretion in the gastric mucosa and H. pylori in the development of peptic ulcer disease.

  12. Interacting Effects of Leaf Water Potential and Biomass on Vegetation Optical Depth

    Science.gov (United States)

    Momen, M.; Wood, J. D.; Novick, K. A.; Pockman, W.; Konings, A. G.

    2017-12-01

    Remotely-sensed microwave observations of vegetation optical depth (VOD) have been widely used to examine vegetation responses to climate. Such studies have alternately found that VOD is sensitive to both biomass and canopy water content. However, the relative impacts of changes in phenology or water stress on VOD have not been disentangled. In particular, understanding whether leaf water potential (LWP) affects VOD may permit the assimilation of satellite observations into new large-scale plant hydraulic models. Despite extensive validation of the relationship between satellite-derived VOD estimates and vegetation density, relatively few studies have explicitly sought to validate the sensitivity of VOD to canopy water status, and none have studied the effect of variations in LWP on VOD. In this work, we test the sensitivity of VOD to variations in LWP, and present a conceptual framework which relates VOD to a combination of leaf water potential and total biomass including leaves, whose dynamics can be measured through leaf area index, and woody biomass. We used in-situ measurements of LWP data to validate the conceptual model in mixed deciduous forests in Indiana and Missouri, as well as a pinion-juniper woodland in New Mexico. Observed X-band VOD from the AMSR-E and AMSR2 satellites showed dynamics similar to those reconstructed VOD signals based on the new conceptual model which employs in-situ LWP data (R2=0.60-0.80). Because LWP data are not available at global scales, we further estimated ecosystem LWP based on remotely sensed surface soil moisture to better understand the sensitivity of VOD across ecosystems. At the global scale, incorporating a combination of biomass and water potential in the reconstructed VOD signal increased correlations with VOD about 15% compared to biomass alone and about 30% compared to water potential alone. In wetter regions with denser and taller canopy heights, VOD has a higher correlation with leaf area index than with water

  13. Direct and indirect effects of a potential aquatic contaminant on grazer-algae interactions.

    Science.gov (United States)

    Evans-White, Michelle A; Lamberti, Gary A

    2009-02-01

    Contaminants have direct, harmful effects across multiple ecological scales, including the individual, the community, and the ecosystem levels. Less, however, is known about how indirect effects of contaminants on consumer physiology or behavior might alter community interactions or ecosystem processes. We examined whether a potential aquatic contaminant, an ionic liquid, can indirectly alter benthic algal biomass and primary production through direct effects on herbivorous snails. Ionic liquids are nonvolatile organic salts being considered as an environmentally friendly potential replacement for volatile organic compounds in industry. In two greenhouse experiments, we factorially crossed four concentrations of 1-N-butyl-3-methylimidazolium bromide (bmimBr; experiment 1: 0 or 10 mg/L; experiment 2: 0, 1, or 100 mg/L) with the presence or absence of the snail Physa acuta in aquatic mesocosms. Experimental results were weighted by their respective control (no bmimBr or P. acuta) and combined for statistical analysis. When both bmimBr and snails were present, chlorophyll a abundance and algal biovolume were higher than would be expected if both factors acted additively. In addition, snail growth rates, relative to those of controls, declined by 41 to 101% at 10 and 100 mg/L of bmimBr. Taken together, these two results suggest that snails were less efficient grazers in the presence of bmimBr, resulting in release of algae from the grazer control. Snails stimulated periphyton primary production in the absence, but not in the presence, of bmimBr, suggesting that bmimBr also can indirectly alter ecosystem function. These findings suggest that sublethal contaminant levels can negatively impact communities and ecosystem processes via complex interactions, and they provide baseline information regarding the potential effects of an emergent industrial chemical on aquatic systems.

  14. Optical model potential analysis of n ¯A and n A interactions

    Science.gov (United States)

    Lee, Teck-Ghee; Wong, Cheuk-Yin

    2018-05-01

    We use a momentum-dependent optical model potential to analyze the annihilation cross sections of the antineutron n ¯ on C, Al, Fe, Cu, Ag, Sn, and Pb nuclei for projectile momenta plab ≲500 MeV /c . We obtain a good description of annihilation cross section data of Barbina et al. [Nucl. Phys. A 612, 346 (1997), 10.1016/S0375-9474(96)00331-4] and of Astrua et al. [Nucl. Phys. A 697, 209 (2002), 10.1016/S0375-9474(01)01252-0] which exhibit an interesting dependence of the cross sections on plab as well as on the target mass number A . We also obtain the neutron (n ) nonelastic reaction cross sections for the same targets. Comparing the n A reaction cross sections σrecn A to the n ¯A annihilation cross sections σannn ¯A, we find that σannn ¯A is significantly larger than σrecn A, that is, the σannn ¯A/σrecn A cross section ratio lies between the values of about 1.5 to 4.0 in the momentum region where comparison is possible. The dependence of the n ¯ annihilation cross section on the projectile charge is also examined in comparison with the antiproton p ¯. Here we predict the p ¯A annihilation cross section on the simplest assumption that both p ¯A and n ¯A interactions have the same nuclear part of the optical potential but differ only in the electrostatic Coulomb interaction. Deviation from a such simple model extrapolation in measurements will provide new information on the difference between n ¯A and p ¯A potentials.

  15. Potential Release Site Sediment Concentrations Correlated to Storm Water Station Runoff through GIS Modeling

    International Nuclear Information System (INIS)

    McLean, C.T.

    2005-01-01

    This research examined the relationship between sediment sample data taken at Potential Release Sites (PRSs) and storm water samples taken at selected sites in and around Los Alamos National Laboratory (LANL). The PRSs had been evaluated for erosion potential and a matrix scoring system implemented. It was assumed that there would be a stronger relationship between the high erosion PRSs and the storm water samples. To establish the relationship, the research was broken into two areas. The first area was raster-based modeling, and the second area was data analysis utilizing the raster based modeling results and the sediment and storm water sample results. Two geodatabases were created utilizing raster modeling functions and the Arc Hydro program. The geodatabase created using only Arc Hydro functions contains very fine catchment drainage areas in association with the geometric network and can be used for future contaminant tracking. The second geodatabase contains sub-watersheds for all storm water stations used in the study along with a geometric network. The second area of the study focused on data analysis. The analytical sediment data table was joined to the PRSs spatial data in ArcMap. All PRSs and PRSs with high erosion potential were joined separately to create two datasets for each of 14 analytes. Only the PRSs above the background value were retained. The storm water station spatial data were joined to the table of analyte values that were either greater than the National Pollutant Discharge Elimination System (NPDES) Multi-Sector General Permit (MSGP) benchmark value, or the Department of Energy (DOE) Drinking Water Defined Contribution Guideline (DWDCG). Only the storm water stations were retained that had sample values greater than the NPDES MSGP benchmark value or the DOE DWDCG. Separate maps were created for each analyte showing the sub-watersheds, the PRSs over background, and the storm water stations greater than the NPDES MSGP benchmark value or the

  16. Local field potential correlates of auditory working memory in primate dorsal temporal pole.

    Science.gov (United States)

    Bigelow, James; Ng, Chi-Wing; Poremba, Amy

    2016-06-01

    Dorsal temporal pole (dTP) is a cortical region at the rostral end of the superior temporal gyrus that forms part of the ventral auditory object processing pathway. Anatomical connections with frontal and medial temporal areas, as well as a recent single-unit recording study, suggest this area may be an important part of the network underlying auditory working memory (WM). To further elucidate the role of dTP in auditory WM, local field potentials (LFPs) were recorded from the left dTP region of two rhesus macaques during an auditory delayed matching-to-sample (DMS) task. Sample and test sounds were separated by a 5-s retention interval, and a behavioral response was required only if the sounds were identical (match trials). Sensitivity of auditory evoked responses in dTP to behavioral significance and context was further tested by passively presenting the sounds used as auditory WM memoranda both before and after the DMS task. Average evoked potentials (AEPs) for all cue types and phases of the experiment comprised two small-amplitude early onset components (N20, P40), followed by two broad, large-amplitude components occupying the remainder of the stimulus period (N120, P300), after which a final set of components were observed following stimulus offset (N80OFF, P170OFF). During the DMS task, the peak amplitude and/or latency of several of these components depended on whether the sound was presented as the sample or test, and whether the test matched the sample. Significant differences were also observed among the DMS task and passive exposure conditions. Comparing memory-related effects in the LFP signal with those obtained in the spiking data raises the possibility some memory-related activity in dTP may be locally produced and actively generated. The results highlight the involvement of dTP in auditory stimulus identification and recognition and its sensitivity to the behavioral significance of sounds in different contexts. This article is part of a Special

  17. Dressed ion theory of size-asymmetric electrolytes: effective ionic charges and the decay length of screened Coulomb potential and pair correlations.

    Science.gov (United States)

    Forsberg, Björn; Ulander, Johan; Kjellander, Roland

    2005-02-08

    The effects of ionic size asymmetry on long-range electrostatic interactions in electrolyte solutions are investigated within the primitive model. Using the formalism of dressed ion theory we analyze correlation functions from Monte Carlo simulations and the hypernetted chain approximation for size asymmetric 1:1 electrolytes. We obtain decay lengths of the screened Coulomb potential, effective charges of ions, and effective permittivity of the solution. It is found that the variation of these quantities with the degree of size asymmetry depends in a quite intricate manner on the interplay between the electrostatic coupling and excluded volume effects. In most cases the magnitude of the effective charge of the small ion species is larger than that of the large species; the difference increases with increasing size asymmetry. The effective charges of both species are larger (in absolute value) than the bare ionic charge, except for high asymmetry where the effective charge of the large ions can become smaller than the bare charge.

  18. Gaussian-2 theory: Use of higher level correlation methods, quadratic configuration interaction geometries, and second-order Moller--Plesset zero-point energies

    International Nuclear Information System (INIS)

    Curtiss, L.A.; Raghavachari, K.; Pople, J.A.

    1995-01-01

    The performance of Gaussian-2 theory is investigated when higher level theoretical methods are included for correlation effects, geometries, and zero-point energies. A higher level of correlation treatment is examined using Brueckner doubles [BD(T)] and coupled cluster [CCSD(T)] methods rather than quadratic configuration interaction [QCISD(T)]. The use of geometries optimized at the QCISD level rather than the second-order Moller--Plesset level (MP2) and the use of scaled MP2 zero-point energies rather than scaled Hartree--Fock (HF) zero-point energies have also been examined. The set of 125 energies used for validation of G2 theory [J. Chem. Phys. 94, 7221 (1991)] is used to test out these variations of G2 theory. Inclusion of higher levels of correlation treatment has little effect except in the cases of multiply-bonded systems. In these cases better agreement is obtained in some cases and poorer agreement in others so that there is no improvement in overall performance. The use of QCISD geometries yields significantly better agreement with experiment for several cases including the ionization potentials of CS and O 2 , electron affinity of CN, and dissociation energies of N 2 , O 2 , CN, and SO 2 . This leads to a slightly better agreement with experiment overall. The MP2 zero-point energies gives no overall improvement. These methods may be useful for specific systems

  19. Steady-state visually evoked potential correlates of human body perception.

    Science.gov (United States)

    Giabbiconi, Claire-Marie; Jurilj, Verena; Gruber, Thomas; Vocks, Silja

    2016-11-01

    In cognitive neuroscience, interest in the neuronal basis underlying the processing of human bodies is steadily increasing. Based on functional magnetic resonance imaging studies, it is assumed that the processing of pictures of human bodies is anchored in a network of specialized brain areas comprising the extrastriate and the fusiform body area (EBA, FBA). An alternative to examine the dynamics within these networks is electroencephalography, more specifically so-called steady-state visually evoked potentials (SSVEPs). In SSVEP tasks, a visual stimulus is presented repetitively at a predefined flickering rate and typically elicits a continuous oscillatory brain response at this frequency. This brain response is characterized by an excellent signal-to-noise ratio-a major advantage for source reconstructions. The main goal of present study was to demonstrate the feasibility of this method to study human body perception. To that end, we presented pictures of bodies and contrasted the resulting SSVEPs to two control conditions, i.e., non-objects and pictures of everyday objects (chairs). We found specific SSVEPs amplitude differences between bodies and both control conditions. Source reconstructions localized the SSVEP generators to a network of temporal, occipital and parietal areas. Interestingly, only body perception resulted in activity differences in middle temporal and lateral occipitotemporal areas, most likely reflecting the EBA/FBA.

  20. Correlation of pattern reversal visual evoked potential parameters with the pattern standard deviation in primary open angle glaucoma

    Directory of Open Access Journals (Sweden)

    Ruchi Kothari

    2014-04-01

    Full Text Available AIM:To evaluate whether glaucomatous visual field defect particularly the pattern standard deviation (PSD of Humphrey visual field could be associated with visual evoked potential (VEP parameters of patients having primary open angle glaucoma (POAG.METHODS:Visual field by Humphrey perimetry and simultaneous recordings of pattern reversal visual evoked potential (PRVEP were assessed in 100 patients with POAG. The stimulus configuration for VEP recordings consisted of the transient pattern reversal method in which a black and white checker board pattern was generated (full field and displayed on VEP monitor (colour 14” by an electronic pattern regenerator inbuilt in an evoked potential recorder (RMS EMG EP MARK II.RESULTS:The results of our study indicate that there is a highly significant (P<0.001 negative correlation of P100 amplitude and a statistically significant (P<0.05 positive correlation of N70 latency, P100 latency and N155 latency with the PSD of Humphrey visual field in the subjects of POAG in various age groups as evaluated by Student’s t-test.CONCLUSION:Prolongation of VEP latencies were mirrored by a corresponding increase of PSD values. Conversely, as PSD increases the magnitude of VEP excursions were found to be diminished.

  1. Correlation of pattern reversal visual evoked potential parameters with the pattern standard deviation in primary open angle glaucoma.

    Science.gov (United States)

    Kothari, Ruchi; Bokariya, Pradeep; Singh, Ramji; Singh, Smita; Narang, Purvasha

    2014-01-01

    To evaluate whether glaucomatous visual field defect particularly the pattern standard deviation (PSD) of Humphrey visual field could be associated with visual evoked potential (VEP) parameters of patients having primary open angle glaucoma (POAG). Visual field by Humphrey perimetry and simultaneous recordings of pattern reversal visual evoked potential (PRVEP) were assessed in 100 patients with POAG. The stimulus configuration for VEP recordings consisted of the transient pattern reversal method in which a black and white checker board pattern was generated (full field) and displayed on VEP monitor (colour 14″) by an electronic pattern regenerator inbuilt in an evoked potential recorder (RMS EMG EP MARK II). The results of our study indicate that there is a highly significant (P<0.001) negative correlation of P100 amplitude and a statistically significant (P<0.05) positive correlation of N70 latency, P100 latency and N155 latency with the PSD of Humphrey visual field in the subjects of POAG in various age groups as evaluated by Student's t-test. Prolongation of VEP latencies were mirrored by a corresponding increase of PSD values. Conversely, as PSD increases the magnitude of VEP excursions were found to be diminished.

  2. Deuteron spin-flip reactions and supermultiplet potential model of interaction of the lightest clusters

    CERN Document Server

    Lebedev, V M; Struzhko, B G

    2002-01-01

    Heterogeneous data on the double and triple differential cross sections of d + p -> np + p and d + t(h) -> np + t(h) or d + t -> nn + h nuclear reactions are reduced by Migdal-Watson approximation to the unified shape of the differential cross section angular dependence having in mind just singlet nucleon-nucleon pair formation. The results are compared with the supermultiplet potential model of the lightest nuclei interaction. The d + t(h) collision is characterized by the fact that the power of V sup [ sup 4 sup 1 sup ] (r) potential is 50% higher than that of the V sup [ sup 3 sup 2 sup ] (r) one ([f] = [41] and [f] = [32] are the orbital Young patterns. This is why the theory is able to describe quantitatively both the above experiment and the elastic scattering one. However, for d + p collision the difference of potential powers for the [f] = [3] and [f] = [21] patterns equals 20% only and the agreement of theory with experiment on deuteron spin-flip is merely qualitative

  3. Structural phases of colloids interacting via a flat-well potential.

    Science.gov (United States)

    Costa Campos, L Q; de Souza Silva, C C; Apolinario, S W S

    2012-11-01

    Using Langevin dynamics simulations we investigate the self-assembly of colloidal particles in two dimensions interacting via an isotropic potential, which comprises both a hard-core repulsion and an additional softened square-well potential of controllable width α. In dilute concentrations, the particles assemble in small clusters with a well-defined crystalline order. For small values of α the particles form triangular lattices. As α is increased, more particles can be captured by the potential well giving rise to different crystalline symmetries and the structural phase transitions between them. The main structures observed are triangular, square, and a mixture of square and triangular cells forming an Archimedean tiling. In the concentrated regime the particles form a single percolated cluster with essentially the same orderings at the same ranges of α values as observed in the dilute regime, thus showing that cluster boundary effects have a minor influence on the cluster crystal symmetry. By using energy analysis and geometry arguments we discuss how the different observed structures minimize the system energy at different values of α.

  4. Clinically Relevant Pharmacological Strategies That Reverse MDMA-Induced Brain Hyperthermia Potentiated by Social Interaction.

    Science.gov (United States)

    Kiyatkin, Eugene A; Ren, Suelynn; Wakabayashi, Ken T; Baumann, Michael H; Shaham, Yavin

    2016-01-01

    MDMA-induced hyperthermia is highly variable, unpredictable, and greatly potentiated by the social and environmental conditions of recreational drug use. Current strategies to treat pathological MDMA-induced hyperthermia in humans are palliative and marginally effective, and there are no specific pharmacological treatments to counteract this potentially life-threatening condition. Here, we tested the efficacy of mixed adrenoceptor blockers carvedilol and labetalol, and the atypical antipsychotic clozapine, in reversing MDMA-induced brain and body hyperthermia. We injected rats with a moderate non-toxic dose of MDMA (9 mg/kg) during social interaction, and we administered potential treatment drugs after the development of robust hyperthermia (>2.5 °C), thus mimicking the clinical situation of acute MDMA intoxication. Brain temperature was our primary focus, but we also simultaneously recorded temperatures from the deep temporal muscle and skin, allowing us to determine the basic physiological mechanisms of the treatment drug action. Carvedilol was modestly effective in attenuating MDMA-induced hyperthermia by moderately inhibiting skin vasoconstriction, and labetalol was ineffective. In contrast, clozapine induced a marked and immediate reversal of MDMA-induced hyperthermia via inhibition of brain metabolic activation and blockade of skin vasoconstriction. Our findings suggest that clozapine, and related centrally acting drugs, might be highly effective for reversing MDMA-induced brain and body hyperthermia in emergency clinical situations, with possible life-saving results.

  5. Two particles interacting via the Yukawa potential in the frame of a truly nonrelativistic wave equation

    International Nuclear Information System (INIS)

    Kukhtin, V.V.; Kuzmenko, M.V.

    2000-01-01

    Complete text of publication follows. Recent studies (1) have shown that the Schroedinger nonrelativistic wave equation for a system of interacting particles is not a rigorously nonrelativistic one since it is based on the implicit assumption that the interaction propagation velocity is a finite value, which implies commutativity of the operators of coordinates and momenta of different particles. The refusal from this assumption implies their noncommutativity, which allows one to construct a truly nonrelativistic nonlinear self-consistent wave equation for a system of interacting particles. In the frame of the advanced wave equation, we investigate the spectrum of bound states for the two-body problem with the Yukawa potential V(r) = -V 0 a exp(-r/a)/r as a function of parameters of the potential. A peculiar feature of the spectrum is the presence of a critical value of V 0 (with the fixed parameter a), above which the given bound state cannot exist. In the ground state with l = 0 at a critical value of V 0 , the mean distance between particles takes the least value equal to the Compton wavelength of the particle with reduced mass. We estimate the parameter of noncommutativity ε for the operators of the coordinate of one particle and of the momentum of other one ([χ 1 , p 2x ] = i(h/2π)m 2 /M x ε) for the bound state of a deuteron, for which we consider the lowest state with l = 0 as its ground state. The parameter a of the Yukawa potential is taken to be equal to the Compton wavelength of a pion, 1.41 fm. In order to obtain the binding energy of a deuteron E = -2.22452 MeV, the parameter V 0 has to equal 51.23 MeV. In this case, the parameter of noncommutativity ε for the operators of the coordinate of one particle and of the momentum of other one ε = 0.0011, i.e., the commutator is nonzero even for such a weakly bound system as a deuteron where particles are located outside the region of action of nuclear forces for a significant fraction of time. Moreover

  6. Correlations, Interactions and Differences between Radiation Effects on Longevity and Natural Aging

    Energy Technology Data Exchange (ETDEWEB)

    Noethel, H. [Institute of Genetics, Free University of Berlin, Berlin, Federal Republic of Germany (Germany)

    1968-06-15

    The non-genetic overall radiation response of insects is expressed by the fitness components 'developmental rate' and 'adult lifespan', and is hence related to natural aging. Based on Drosophila, with additional remarks on other insects, the paper demonstrates that, in the developmental stages, ionizing radiation affects the differentiation processes. Distinct sensitive phases are apparent for the induction of different injuries, as are effective phases during wnich the damage exhibits its lethal action. With increasing differentiation, the radiation sensitivity decreases. The primary biological damage is, at least in part, some kind of somatic mutation. A review of adult irradiation response is also based on Drosophila. At least two different types of induced mortality are evident. Type 1 occurs early after irradiation with high doses. It is probably due to central nervous injury and is a common effect in insects, as is indicated by a comparison of various species. Type 2 is a more delayed death at median and low doses. It is of different appearance in various insects, and this heterogeneity is even seen within one species. Thus, sterilizing Drosophila females may result in a considerable prolongation or in a drastic reduction of lifespan. Experimental evidence is found in Drosophila against the 'induced aging' hypothesis of radiation death. Type 1 mortality increases with increasing age at exposure. The amount of the increase in sensitivity depends indirectly on biological age. Both of these parameters are fixed by genotype, as is the mode of interaction between them. Type 2 mortality follows an initial latent period within an 'induced mortality' period. The latter lasts always the same time, independently of age at irradiation. The latent period, however, is shortened in general with increasing age at exposure. This effect seems to depend on metabolic properties rather than on aging itself, as is indicated especially by a prolongation in early adult life

  7. Bose-Einstein correlations in charged current muon-neutrino interactions in the NOMAD experiment at CERN

    International Nuclear Information System (INIS)

    Astier, P.; Autiero, D.; Baldisseri, A.; Baldo-Ceolin, M.; Banner, M.; Bassompierre, G.; Benslama, K.; Besson, N.; Bird, I.; Blumenfeld, B.; Bobisut, F.; Bouchez, J.; Boyd, S.; Bueno, A.; Bunyatov, S.; Camilleri, L.; Cardini, A.; Cattaneo, P.W.; Cavasinni, V.; Cervera-Villanueva, A.; Challis, R.C.; Chukanov, A.; Collazuol, G.; Conforto, G.; Conta, C.; Contalbrigo, M.; Cousins, R.; Daniels, D.; Degaudenzi, H.; Del Prete, T.; De Santo, A.; Dignan, T.; Di Lella, L.; Couto e Silva, E. do; Dumarchez, J.; Ellis, M.; Feldman, G.J.; Ferrari, R.; Ferrere, D.; Flaminio, V.; Fraternali, M.; Gaillard, J.-M.; Gangler, E.; Geiser, A.; Geppert, D.; Gibin, D.; Gninenko, S.; Godley, A.; Gomez-Cadenas, J.-J.; Gosset, J.; Goessling, C.; Gouanere, M.; Grant, A.; Graziani, G.; Guglielmi, A.; Hagner, C.; Hernando, J.; Hubbard, D.; Hurst, P.; Hyett, N.; Iacopini, E.; Joseph, C.; Juget, F.; Kent, N.; Kirsanov, M.; Klimov, O.; Kokkonen, J.; Kovzelev, A.; Krasnoperov, A.; Lacaprara, S.; Lachaud, C.; Lakic, B.; Lanza, A.; La Rotonda, L.; Laveder, M.; Letessier-Selvon, A.; Levy, J.-M.; Linssen, L.; Ljubicic, A.; Long, J.; Lupi, A.; Lyubushkin, V.; Marchionni, A.; Martelli, F.; Mechain, X.; Mendiburu, J.-P.; Meyer, J.-P.; Mezzetto, M.; Mishra, S.R.; Moorhead, G.F.; Naumov, D.; Nedelec, P.; Nefedov, Yu.; Nguyen-Mau, C.; Orestano, D.; Pastore, F.; Peak, L.S.; Pennacchio, E.; Pessard, H.; Petti, R.; Placci, A.; Polesello, G.; Pollmann, D.; Polyarush, A.; Popov, B.; Poulsen, C.; Rebuffi, L.; Rico, J.; Riemann, P.; Roda, C.; Rubbia, A.; Salvatore, F.; Schahmaneche, K.; Schmidt, B.; Schmidt, T.; Sconza, A.; Sevior, M.; Sillou, D.; Soler, F.J.P.; Sozzi, G.; Steele, D.; Stiegler, U.; Stipcevic, M.; Stolarczyk, Th.; Tareb-Reyes, M.; Taylor, G.N.; Tereshchenko, V.; Toropin, A.; Touchard, A.-M.; Tovey, S.N.; Tran, M.-T.; Tsesmelis, E.; Ulrichs, J.; Vacavant, L.; Valdata-Nappi, M.; Valuev, V.; Vannucci, F.; Varvell, K.E.; Veltri, M.; Vercesi, V.; Vidal-Sitjes, G.; Vieira, J.-M.; Vinogradova, T.; Weber, F.V.; Weisse, T.; Wilson, F.F.; Winton, L.J.; Yabsley, B.D.; Zaccone, H.; Zei, R.; Zuber, K.; Zuccon, P.

    2004-01-01

    Bose-Einstein correlations in one and two dimensions have been studied, with high statistics, in charged current muon-neutrino interaction events collected with the NOMAD detector at CERN. In one dimension the Bose-Einstein effect has been analyzed with the Goldhaber and the Kopylov-Podgoretskii phenomenological parametrizations. The Goldhaber parametrization gives the radius of the pion emission region R G =1.01±0.05(stat) +0.09 -0.06 (sys) fm and for the chaoticity parameter the value λ=0.40±0.03(stat) +0.01 -0.06 (sys). Using the Kopylov-Podgoretskii parametrization yields R KP =2.07±0.04(stat) +0.01 -0.14 (sys) fm and λ KP =0.29±0.06(stat) +0.01 -0.04 (sys). Different parametrizations of the long-range correlations have been also studied. The two-dimensional shape of the source has been investigated in the longitudinal comoving frame. A significant difference between the transverse and the longitudinal dimensions is observed. The high statistics of the collected sample allowed the study of the Bose-Einstein correlations as a function of rapidity, charged particle multiplicity and hadronic energy. A weak dependence of both radius and chaoticity on multiplicity and hadronic energy is found

  8. Spin-flip configuration interaction singles with exact spin-projection: Theory and applications to strongly correlated systems.

    Science.gov (United States)

    Tsuchimochi, Takashi

    2015-10-14

    Spin-flip approaches capture static correlation with the same computational scaling as the ordinary single reference methods. Here, we extend spin-flip configuration interaction singles (SFCIS) by projecting out intrinsic spin-contamination to make it spin-complete, rather than by explicitly complementing it with spin-coupled configurations. We give a general formalism of spin-projection for SFCIS, applicable to any spin states. The proposed method is viewed as a natural unification of SFCIS and spin-projected CIS to achieve a better qualitative accuracy at a low computational cost. While our wave function ansatz is more compact than previously proposed spin-complete SF approaches, it successfully offers more general static correlation beyond biradicals without sacrificing good quantum numbers. It is also shown that our method is invariant with respect to open-shell orbital rotations, due to the uniqueness of spin-projection. We will report benchmark calculations to demonstrate its qualitative performance on strongly correlated systems, including conical intersections that appear both in ground-excited and excited-excited degeneracies.

  9. Potential interaction between transport and stream networks over the lowland rivers in Eastern India.

    Science.gov (United States)

    Roy, Suvendu; Sahu, Abhay Sankar

    2017-07-15

    Extension of transport networks supports good accessibility and associated with the development of a region. However, transport lines have fragmented the regional landscape and disturbed the natural interplay between rivers and their floodplains. Spatial analysis using multiple buffers provides information about the potential interaction between road and stream networks and their impact on channel morphology of a small watershed in the Lower Gangetic Plain. Present study is tried to understand the lateral and longitudinal disconnection in headwater stream by rural roads with the integration of geoinformatics and field survey. Significant (p development, delineation of stream corridor, regular monitoring and engineering efficiency for the construction of road and road-stream crossing might be effective in managing river geomorphology and riverine landscape. Copyright © 2017 Elsevier Ltd. All rights reserved.

  10. Early life stress interactions with the epigenome: potential mechanisms driving vulnerability towards psychiatric illness

    Science.gov (United States)

    Olive, Michael Foster

    2014-01-01

    Throughout the 20th century a body of literature concerning the long lasting effects of early environment was produced. Adverse experiences in early life, or early life stress (ELS), is associated with a higher risk for developing various psychiatric illnesses. The mechanisms driving the complex interplay between ELS and adult phenotype has baffled many investigators for decades. Over the last decade, the new field of neuroepigenetics has emerged as one possible mechanism by which ELS can have far reaching effects on adult phenotype, behavior, and risk for psychiatric illness. Here we review two commonly investigated epigenetic mechanisms, histone modifications and DNA methylation, and the emerging field of neuroepigenetics as they relate to ELS. We discuss the current animal literature demonstrating ELS induced epigenetic modulation of gene expression that results in altered adult phenotypes. We also briefly discuss other areas in which neuroepigenetics has emerged as a potential mechanism underlying environmental and genetic interactions. PMID:25003947

  11. Early-life stress interactions with the epigenome: potential mechanisms driving vulnerability toward psychiatric illness.

    Science.gov (United States)

    Lewis, Candace R; Olive, M Foster

    2014-09-01

    Throughout the 20th century a body of literature concerning the long-lasting effects of the early environment was produced. Adverse experiences in early life, or early-life stress (ELS), is associated with a higher risk of developing various psychiatric illnesses. The mechanisms driving the complex interplay between ELS and adult phenotype has baffled many investigators for decades. Over the last decade, the new field of neuroepigenetics has emerged as one possible mechanism by which ELS can have far-reaching effects on adult phenotype, behavior, and risk for psychiatric illness. Here we review two commonly investigated epigenetic mechanisms, histone modifications and DNA methylation, and the emerging field of neuroepigenetics as they relate to ELS. We discuss the current animal literature demonstrating ELS-induced epigenetic modulation of gene expression that results in altered adult phenotypes. We also briefly discuss other areas in which neuroepigenetics has emerged as a potential mechanism underlying environmental and genetic interactions.

  12. Molecular interaction of 2-mercaptobenzimidazole with catalase reveals a potentially toxic mechanism of the inhibitor.

    Science.gov (United States)

    Teng, Yue; Zou, Luyi; Huang, Ming; Zong, Wansong

    2014-12-01

    2-Mercaptobenzimidazole (MBI) is widely utilized as a corrosion inhibitor, copper-plating brightener and rubber accelerator. The residue of MBI in the environment possesses a potential risk to human health. In this work, the toxic interaction of MBI with the important antioxidant enzyme catalase (CAT) was investigated using spectroscopic and molecular docking methods under physiological conditions. MBI can spontaneously bind with CAT with one binding site through hydrogen bonds and van der Waals forces to form MBI-CAT complex. The molecular docking study revealed that MBI bound into the CAT interface of chains B and C, which led to some conformational and microenvironmental changes of CAT and further resulted in the inhibition of CAT activity. This present study provides direct evidence at a molecular level to show that exposure to MBI could induce changes in the structure and function of the enzyme CAT. Copyright © 2014 Elsevier B.V. All rights reserved.

  13. Characterization and Correlation of Particle-Level Interactions to the Macroscopic Rheology of Powders, Granular Slurries, and Colloidal Suspensions

    Energy Technology Data Exchange (ETDEWEB)

    Poloski, Adam P.; Daniel, Richard C.; Rector, David R.; Bredt, Paul R.; Buck, Edgar C.; Berg, John C.; Saez, Avelino E.

    2006-09-29

    Hanford TRU tank sludges are complex mixtures of undissolved minerals and salt solids in an aqueous phase of high ionic strength. They show complex rheological behavior resulting from interactions at the macroscopic level, such as interparticle friction between grains in the coarse fraction, as well as from interactions at the nano-scale level, such as the agglomeration of colloidal particles. An understanding of how phenomena such as interparticle friction and aggregate stability under shear will allow better control of Hanford TRU tank sludges being processed for disposal. The project described in this report had two objectives. The first was to understand the physical properties and behavior of the Hanford transuranic (TRU) tank sludges under conditions that might exist during retrieval, treatment, packaging, and transportation for disposal at the Waste Isolation Pilot Plant (WIPP). The second objective was to develop a fundamental understanding of sludge physical properties by correlating the macroscopic behavior with interactions occurring at the particle/colloidal scale. These objectives were accomplished by: 1) developing continuum models for coarse granular slurries and 2) studying the behavior of colloidal agglomerates under shear and under irradiation.

  14. Dopamine and oxytocin interactions underlying behaviors: potential contributions to behavioral disorders.

    Science.gov (United States)

    Baskerville, Tracey A; Douglas, Alison J

    2010-06-01

    Dopamine is an important neuromodulator that exerts widespread effects on the central nervous system (CNS) function. Disruption in dopaminergic neurotransmission can have profound effects on mood and behavior and as such is known to be implicated in various neuropsychiatric behavioral disorders including autism and depression. The subsequent effects on other neurocircuitries due to dysregulated dopamine function have yet to be fully explored. Due to the marked social deficits observed in psychiatric patients, the neuropeptide, oxytocin is emerging as one particular neural substrate that may be influenced by the altered dopamine levels subserving neuropathologic-related behavioral diseases. Oxytocin has a substantial role in social attachment, affiliation and sexual behavior. More recently, it has emerged that disturbances in peripheral and central oxytocin levels have been detected in some patients with dopamine-dependent disorders. Thus, oxytocin is proposed to be a key neural substrate that interacts with central dopamine systems. In addition to psychosocial improvement, oxytocin has recently been implicated in mediating mesolimbic dopamine pathways during drug addiction and withdrawal. This bi-directional role of dopamine has also been implicated during some components of sexual behavior. This review will discuss evidence for the existence dopamine/oxytocin positive interaction in social behavioral paradigms and associated disorders such as sexual dysfunction, autism, addiction, anorexia/bulimia, and depression. Preliminary findings suggest that whilst further rigorous testing has to be conducted to establish a dopamine/oxytocin link in human disorders, animal models seem to indicate the existence of broad and integrated brain circuits where dopamine and oxytocin interactions at least in part mediate socio-affiliative behaviors. A profound disruption to these pathways is likely to underpin associated behavioral disorders. Central oxytocin pathways may serve as a

  15. Chemical compounds from anthropogenic environment and immune evasion mechanisms: potential interactions.

    Science.gov (United States)

    Kravchenko, Julia; Corsini, Emanuela; Williams, Marc A; Decker, William; Manjili, Masoud H; Otsuki, Takemi; Singh, Neetu; Al-Mulla, Faha; Al-Temaimi, Rabeah; Amedei, Amedeo; Colacci, Anna Maria; Vaccari, Monica; Mondello, Chiara; Scovassi, A Ivana; Raju, Jayadev; Hamid, Roslida A; Memeo, Lorenzo; Forte, Stefano; Roy, Rabindra; Woodrick, Jordan; Salem, Hosni K; Ryan, Elizabeth P; Brown, Dustin G; Bisson, William H; Lowe, Leroy; Lyerly, H Kim

    2015-06-01

    An increasing number of studies suggest an important role of host immunity as a barrier to tumor formation and progression. Complex mechanisms and multiple pathways are involved in evading innate and adaptive immune responses, with a broad spectrum of chemicals displaying the potential to adversely influence immunosurveillance. The evaluation of the cumulative effects of low-dose exposures from the occupational and natural environment, especially if multiple chemicals target the same gene(s) or pathway(s), is a challenge. We reviewed common environmental chemicals and discussed their potential effects on immunosurveillance. Our overarching objective was to review related signaling pathways influencing immune surveillance such as the pathways involving PI3K/Akt, chemokines, TGF-β, FAK, IGF-1, HIF-1α, IL-6, IL-1α, CTLA-4 and PD-1/PDL-1 could individually or collectively impact immunosurveillance. A number of chemicals that are common in the anthropogenic environment such as fungicides (maneb, fluoxastrobin and pyroclostrobin), herbicides (atrazine), insecticides (pyridaben and azamethiphos), the components of personal care products (triclosan and bisphenol A) and diethylhexylphthalate with pathways critical to tumor immunosurveillance. At this time, these chemicals are not recognized as human carcinogens; however, it is known that they these chemicalscan simultaneously persist in the environment and appear to have some potential interfere with the host immune response, therefore potentially contributing to promotion interacting with of immune evasion mechanisms, and promoting subsequent tumor growth and progression. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  16. Construction and analysis of protein-protein interaction network correlated with ankylosing spondylitis.

    Science.gov (United States)

    Kanwal, Attiya; Fazal, Sahar

    2018-01-05

    Ankylosing spondylitis, a systemic illness is a foundation of progressing joint swelling that for the most part influences the spine. However, it frequently causes aggravation in different joints far from the spine, and in addition organs, for example, the eyes, heart, lungs, and kidneys. It's an immune system ailment that may be activated by specific sorts of bacterial or viral diseases that initiate an invulnerable reaction that don't close off after the contamination is recuperated. The particular reason for ankylosing spondylitis is obscure, yet hereditary qualities assume a huge part in this condition. The rising apparatuses of network medicine offer a stage to investigate an unpredictable illness at framework level. In this study, we meant to recognize the key proteins and the biological regulator pathways including in AS and further investigating the molecular connectivity between these pathways by the topological examination of the Protein-protein communication (PPI) system. The extended network including of 93 nodes and have 199 interactions respectively scanned from STRING database and some separated small networks. 24 proteins with high BC at the threshold of 0.01 and 55 proteins with large degree at the threshold of 1 have been identified. CD4 with highest BC and Closeness centrality located in the centre of the network. The backbone network derived from high BC proteins presents a clear and visual overview which shows all important regulatory pathways for AS and the crosstalk between them. The finding of this research suggests that AS variation is orchestrated by an integrated PPI network centered on CD4 out of 93 nodes. Ankylosing spondylitis, a systemic disease is an establishment of advancing joint swelling that generally impacts the spine. Be that as it may, it as often as possible causes disturbance in various joints a long way from the spine, and what's more organs. It's a resistant framework affliction that might be actuated by particular sorts

  17. Invariance and variability in interaction error-related potentials and their consequences for classification

    Science.gov (United States)

    Abu-Alqumsan, Mohammad; Kapeller, Christoph; Hintermüller, Christoph; Guger, Christoph; Peer, Angelika

    2017-12-01

    Objective. This paper discusses the invariance and variability in interaction error-related potentials (ErrPs), where a special focus is laid upon the factors of (1) the human mental processing required to assess interface actions (2) time (3) subjects. Approach. Three different experiments were designed as to vary primarily with respect to the mental processes that are necessary to assess whether an interface error has occurred or not. The three experiments were carried out with 11 subjects in a repeated-measures experimental design. To study the effect of time, a subset of the recruited subjects additionally performed the same experiments on different days. Main results. The ErrP variability across the different experiments for the same subjects was found largely attributable to the different mental processing required to assess interface actions. Nonetheless, we found that interaction ErrPs are empirically invariant over time (for the same subject and same interface) and to a lesser extent across subjects (for the same interface). Significance. The obtained results may be used to explain across-study variability of ErrPs, as well as to define guidelines for approaches to the ErrP classifier transferability problem.

  18. The interactive potential of post-modern film narrative - Frequency, Order and Simultaneity

    Directory of Open Access Journals (Sweden)

    Carlos Sena Caires

    2009-05-01

    Full Text Available A considerable number of contemporary films are now using narrative models that allow several adaptations on digital and interactive operating systems. This trend is seen in films such as Memento by Christopher Nolan (2000, Irréversible by Gaspar Noé (2002 and Smoking / No Smoking by Alain Resnais (1993, concerning the chronological organization of their narrative parts – here it is a question of order. Or in films such as Elephant by Gus Van Sant (2003, Groundhog Day by Harold Ramis, 1993 and Rashômon by Akira Kurosawa (1950, for the diegetic repetition – a question of frequency. Or even, in films such as Magnolia by Paul Thomas Anderson (1999 and Short Cuts by Robert Altman, 1993 which use the idea of expansion or compression of the narrative – a question of simultaneity. To change the accessibility of the cinematographic experience and to constantly re-evaluate the way in which the narrative tool is used, is from now on considered the interactive potential of the contemporary film narrative.

  19. Final Report - Assessment of Potential Phosphate Ion-Cementitious Materials Interactions

    International Nuclear Information System (INIS)

    Naus, Dan J.; Mattus, Catherine H.; Dole, Leslie Robert

    2007-01-01

    The objectives of this limited study were to: (1) review the potential for degradation of cementitious materials due to exposure to high concentrations of phosphate ions; (2) provide an improved understanding of any significant factors that may lead to a requirement to establish exposure limits for concrete structures exposed to soils or ground waters containing high levels of phosphate ions; (3) recommend, as appropriate, whether a limitation on phosphate ion concentration in soils or ground water is required to avoid degradation of concrete structures; and (4) provide a 'primer' on factors that can affect the durability of concrete materials and structures in nuclear power plants. An assessment of the potential effects of phosphate ions on cementitious materials was made through a review of the literature, contacts with concrete research personnel, and conduct of a 'bench-scale' laboratory investigation. Results of these activities indicate that: no harmful interactions occur between phosphates and cementitious materials unless phosphates are present in the form of phosphoric acid; phosphates have been incorporated into concrete as set retarders, and phosphate cements have been used for infrastructure repair; no standards or guidelines exist pertaining to applications of reinforced concrete structures in high-phosphate environments; interactions of phosphate ions and cementitious materials has not been a concern of the research community; and laboratory results indicate similar performance of specimens cured in phosphate solutions and those cured in a calcium hydroxide solution after exposure periods of up to eighteen months. Relative to the 'primer,' a separate NUREG report has been prepared that provides a review of pertinent factors that can affect the durability of nuclear power plant reinforced concrete structures

  20. HA/CD44 interactions as potential targets for cancer therapy

    Science.gov (United States)

    Misra, Suniti; Heldin, Paraskevi; Hascall, Vincent C.; Karamanos, Nikos K.; Skandalis, Spyros S.; Markwald, Roger R.; Ghatak, Shibnath

    2011-01-01

    It is becoming increasingly clear that signals generated in tumor microenvironments are crucial to tumor cell behavior, such as, survival progression, and metastasis. The establishment of these malignant behaviors requires that tumor cells acquire novel adhesion and migration properties to detach from their original sites for localizing into distant organs. CD44, an adhesion/homing molecule is a major receptor for the glycosaminoglycan hyaluronan, which is one of the major components of the tumor extracellular matrix (ECM). CD44, a multi structural and multifunctional molecule, detects changes in ECM components, and thus is well positioned to provide appropriate responses to changes in the microenvironment, i.e. engagement in cell-cell and cell-ECM interactions, cell traffic, lymph node homing, and presentation of growth factors/cytokines/chemokines to co-ordinate signaling events that enable the cell responses that change in the tissue environment. The potential involvement of CD44variants (CD44v), especially CD44v4-v7 and CD44v6-v9 in tumor progression was confirmed for many tumor types in numerous clinical studies. Down regulation of the standard CD44 isoform (CD44s) in colon cancer is postulated to result in increased tumorigenicity. CD44v-specific functions could be due to their higher binding affinity for hyaluronan than CD44s. Alternatively, CD44v-specific functions could be due to differences in associating molecules, which may bind selectively to the CD44v exon. This review summarizes how the interaction between hyaluronan and CD44v can serve as a potential target for cancer therapy, in particular how silencing the CD44v can target multiple metastatic tumors. PMID:21362138