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)

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

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.

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.)

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

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.

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.

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.

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

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

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.

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

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)…

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)

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.

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.

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.

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

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

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}.

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.)

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)

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)

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

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)

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

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

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

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

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.

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

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.

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.

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

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.

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

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.

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.

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.

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

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…

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...

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.)

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

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

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)

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

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.

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.

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.

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

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.

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.

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)

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.).

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.

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.

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

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

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.

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...

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.

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)

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

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.

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.)

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.)

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.

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

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.

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)

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.

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.

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.

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.)

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.

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.

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.

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

Correlation and Entanglement in Elliptically Deformed Two-Electron Quantum Dots

International Nuclear Information System (INIS)

Okopinska, A.; Koscik, P.

2011-01-01

We study quantum correlation in a two-dimensional system of two Coulombically interacting electrons trapped in an anisotropic harmonic potential in dependence on the interaction strength. The linear entropy and von Neumann entropy that measure the entanglement between the electrons are compared with the correlation energy and the statistical correlation coefficient. We observe that the entanglement properties are dramatically influenced by the anisotropy of the confining potential. We observe that the energetic and statistical correlations get stronger, whereas the entropic measures show weakening of the correlations with anisotropy. (author)

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.

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.

Short-range correlations with pseudopotentials

International Nuclear Information System (INIS)

Osman, A.

1976-01-01

Short-range correlations in nuclei are considered on an unitary-model operator approach. Short-range pseudopotentials have been added to achieve healing in the correlated wave functions. With the introduction of the pseudopotentials, correlated basis wave functions are constructed. The matrix element for effective interaction in nuclei is developed. The required pseudopotentials have been calculated for the Hamda-Johnston, Yale and Reid potentials and for the nuclear nucleon-nucleon potential A calculated by us according to meson exchange between nucleons. (Osman, A.)

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.

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.

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.

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.)

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.

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.

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

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.

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

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.

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

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.

Correlation in atomic scattering

International Nuclear Information System (INIS)

McGuire, J.H.

1987-01-01

Correlation due to the Coulomb interactions between electrons in many-electron targets colliding with charged particles is formulated, and various approximate probability amplitudes are evaluated. In the limit that the electron-electron, 1/r/sub i//sub j/, correlation interactions are ignored or approximated by central potentials, the independent-electron approximation is obtained. Two types of correlations, or corrections to the independent-electron approximation due to 1/r/sub i//sub j/ terms, are identified: namely, static and scattering correlation. Static correlation is that contained in the asymptotic, e.g., bound-state, wave functions. Scattering correlation, arising from correlation in the scattering operator, is new and is considered in some detail. Expressions for a scattering correlation amplitude, static correlation or rearrangement amplitude, and independent-electron or direct amplitude are derived at high collision velocity and compared. At high velocities the direct and rearrangement amplitudes dominate. At very high velocities, ν, the rearrangement amplitude falls off less rapidly with ν than the direct amplitude which, however, is dominant as electron-electron correlation tends to zero. Comparisons with experimental observations are discussed

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.

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

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

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

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

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.

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.

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.

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.

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.)

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. ...

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)

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.

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 ...

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.

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)

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)

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.

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

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.

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....

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.

Effect of electron correlations and Breit interactions on ground-state fine-structures along the nitrogen-like isoelectronic sequence

International Nuclear Information System (INIS)

Wang Xiaolu; Lu Wenlai; Gao Xiang; Li Jiaming

2009-01-01

The accurate atomic data of nitrogen and nitrogen-like ions have an importance role in fusion plasma studies and astrophysics studies. The precise calculation of fine-structures is required to obtain such atomic data. Along the whole nitrogen isoelectronic sequence, the contributions of the electron correlations, the Breit interactions and the quantum electrodynamics corrections on the ground-state fine-structures are elucidated. When Z is low, the electron correlations are important, and the Breit interactions, which cannot be neglected cause interesting anomalous fine-structure splittings. When Z is high, the electron correlations are less important, and the Breit interactions are important in addition to spin-orbit interactions for precise calculations. (authors)

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.

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 ...

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

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.

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.

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

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

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.

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.

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.

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

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.

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.

Childhood trauma affects processing of social interactions in borderline personality disorder: An event-related potential study investigating empathy for pain.

Science.gov (United States)

Flasbeck, Vera; Enzi, Björn; Brüne, Martin

2017-06-15

Patients with borderline personality disorder (BPD) have difficulties in empathising with others and show disturbances in social interactions. Using a 'Social Interaction Empathy Task', we found that BPD patients judged neutral and psychologically painful conditions as more painful than healthy subjects. Here, we present the neural correlates underlying these differences in empathy for pain. Female BPD patients and healthy controls completed the 'Social Interaction Empathy Task' during EEG recording. Event-related potentials (ERP) were analysed for an early anterior component and a late latency positivity. Empathic abilities were assessed using the Interpersonal Reactivity Index and early aversive experiences were measured by the Childhood Trauma Questionnaire (CTQ). ERPs in the patient group matched the behaviour results and correlated with the level of personal distress and CTQ. In addition, ERPs of patients were predicted by childhood maltreatment and stress. Taken together, our findings indicate that the observed behavioural differences between patients with BPD and controls might be due to modulatory effects of empathic abilities on the evaluation of pain-related social stimuli, which are supposed to be based on childhood maltreatment.

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.

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.

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)

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.)

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.

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

Ionic fluids with r-6 pair interactions have power-law electrostatic screening

International Nuclear Information System (INIS)

Kjellander, Roland; Forsberg, Bjoern

2005-01-01

The decay behaviour of radial distribution functions for large distances r is investigated for classical Coulomb fluids where the ions interact with an r -6 potential (e.g. a dispersion interaction) in addition to the Coulombic and the short-range repulsive potentials (e.g. a hard core). The pair distributions and the density-density (NN), charge-density (QN) and charge-charge (QQ) correlation functions are investigated analytically and by Monte Carlo simulations. It is found that the NN correlation function ultimately decays like r -6 for large r, just as it does for fluids of electroneutral particles interacting with an r -6 potential. The prefactor is proportional to the squared compressibility in both cases. The QN correlations decay in general like r -8 and the QQ correlations like r -10 in the ionic fluid. The average charge density around an ion decays generally like r -8 and the average electrostatic potential like r -6 . This behaviour is in stark contrast to the decay behaviour for classical Coulomb fluids in the absence of the r -6 potential, where all these functions decay exponentially for large r. The power-law decays are, however, the same as for quantum Coulomb fluids. This indicates that the inclusion of the dispersion interaction as an effective r -6 interaction potential in classical systems yields the same decay behaviour for the pair correlations as in quantum ionic systems. An exceptional case is the completely symmetric binary electrolyte for which only the NN correlation has a power-law decay but not the QQ correlations. These features are shown by an analysis of the bridge function

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

Correlated thermal motion of two liquid Pb inclusions attached to a fixed dislocation in an Al matrix

DEFF Research Database (Denmark)

Prokofjev, Sergei I.; Johnson, Erik

2017-01-01

of the inclusions on the dislocation line occurs as a result of their mutual repulsion and their repulsion from the fixed ends of the dislocation caused by the dislocation line tension. The oscillations of the inclusions can be considered as correlated thermal motion in coupled potential wells. The effective...... potentials, in which the inclusions move, and the effective potential of their interactions are evaluated. It is found that the spatial correlations of the positions of the inclusions on the dislocation depend strongly on the interaction potential. The observed correlations of the positions of the inclusions...

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.

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

[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.

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

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...

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.

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.

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

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.)

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'.

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...

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)

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.

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

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.

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.

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.)

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.

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

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.)

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.

Matrix elements and few-body calculations within the unitary correlation operator method

International Nuclear Information System (INIS)

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

2005-01-01

We employ the unitary correlation operator method (UCOM) to construct correlated, low-momentum matrix elements of realistic nucleon-nucleon interactions. The dominant short-range central and tensor correlations induced by the interaction are included explicitly by an unitary transformation. Using correlated momentum-space matrix elements of the Argonne V18 potential, we show that the unitary transformation eliminates the strong off-diagonal contributions caused by the short-range repulsion and the tensor interaction and leaves a correlated interaction dominated by low-momentum contributions. We use correlated harmonic oscillator matrix elements as input for no-core shell model calculations for few-nucleon systems. Compared to the bare interaction, the convergence properties are dramatically improved. The bulk of the binding energy can already be obtained in very small model spaces or even with a single Slater determinant. Residual long-range correlations, not treated explicitly by the unitary transformation, can easily be described in model spaces of moderate size allowing for fast convergence. By varying the range of the tensor correlator we are able to map out the Tjon line and can in turn constrain the optimal correlator ranges. (orig.)

Matrix elements and few-body calculations within the unitary correlation operator method

International Nuclear Information System (INIS)

Roth, R.; Hergert, H.; Papakonstantinou, P.; Neff, T.; Feldmeier, H.

2005-01-01

We employ the unitary correlation operator method (UCOM) to construct correlated, low-momentum matrix elements of realistic nucleon-nucleon interactions. The dominant short-range central and tensor correlations induced by the interaction are included explicitly by an unitary transformation. Using correlated momentum-space matrix elements of the Argonne V18 potential, we show that the unitary transformation eliminates the strong off-diagonal contributions caused by the short-range repulsion and the tensor interaction and leaves a correlated interaction dominated by low-momentum contributions. We use correlated harmonic oscillator matrix elements as input for no-core shell model calculations for few-nucleon systems. Compared to the bare interaction, the convergence properties are dramatically improved. The bulk of the binding energy can already be obtained in very small model spaces or even with a single Slater determinant. Residual long-range correlations, not treated explicitly by the unitary transformation, can easily be described in model spaces of moderate size allowing for fast convergence. By varying the range of the tensor correlator we are able to map out the Tjon line and can in turn constrain the optimal correlator ranges

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

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.

Spreading of correlations in the Falicov-Kimball model

Science.gov (United States)

Herrmann, Andreas J.; Antipov, Andrey E.; Werner, Philipp

2018-04-01

We study dynamical properties of the one- and two-dimensional Falicov-Kimball model using lattice Monte Carlo simulations. In particular, we calculate the spreading of charge correlations in the equilibrium model and after an interaction quench. The results show a reduction of the light-cone velocity with interaction strength at low temperature, while the phase velocity increases. At higher temperature, the initial spreading is determined by the Fermi velocity of the noninteracting system and the maximum range of the correlations decreases with increasing interaction strength. Charge order correlations in the disorder potential enhance the range of the correlations. We also use the numerically exact lattice Monte Carlo results to benchmark the accuracy of equilibrium and nonequilibrium dynamical cluster approximation calculations. It is shown that the bias introduced by the mapping to a periodized cluster is substantial, and that from a numerical point of view, it is more efficient to simulate the lattice model directly.

Kohn-Sham density functional theory for quantum wires in arbitrary correlation regimes

NARCIS (Netherlands)

Malet, F.; Mirtschink, A.P.; Cremon, J. C.; Reimann, S. M.; Gori Giorgi, P.

2013-01-01

We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to construct an approximation for the exchange-correlation term of the Kohn-Sham approach. The resulting exchange-correlation potential is able to capture the features of the strongly correlated regime without

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.

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.

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.)

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.

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)

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.

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.)

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.

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.

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)

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)

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)

Short-ranged radial and tensor correlations in nuclear many-body systems

International Nuclear Information System (INIS)

Neff, T.; Feldmeier, H.

2003-01-01

The unitary correlation operator method (UCOM) is applied to realistic potentials. The effects of tensor correlations are investigated. The resulting phase shift equivalent correlated interactions are used in the no-core shell model for light nuclei and for mean-field calculations in the Fermionic Molecular Dynamics model for nuclei up to mass A=48. (orig.)

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.

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

Characterization of topological phases of dimerized Kitaev chain via edge correlation functions

Science.gov (United States)

Wang, Yucheng; Miao, Jian-Jian; Jin, Hui-Ke; Chen, Shu

2017-11-01

We study analytically topological properties of a noninteracting modified dimerized Kitaev chain and an exactly solvable interacting dimerized Kitaev chain under open boundary conditions by analyzing two introduced edge correlation functions. The interacting dimerized Kitaev chain at the symmetry point Δ =t and the chemical potential μ =0 can be exactly solved by applying two Jordan-Wigner transformations and a spin rotation, which permits us to calculate the edge correlation functions analytically. We demonstrate that the two edge correlation functions can be used to characterize the trivial, Su-Schrieffer-Heeger-like topological and topological superconductor phases of both the noninteracting and interacting systems and give their phase diagrams.

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.

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.

Interacting steps with finite-range interactions: Analytical approximation and numerical results

Science.gov (United States)

Jaramillo, Diego Felipe; Téllez, Gabriel; González, Diego Luis; Einstein, T. L.

2013-05-01

We calculate an analytical expression for the terrace-width distribution P(s) for an interacting step system with nearest- and next-nearest-neighbor interactions. Our model is derived by mapping the step system onto a statistically equivalent one-dimensional system of classical particles. The validity of the model is tested with several numerical simulations and experimental results. We explore the effect of the range of interactions q on the functional form of the terrace-width distribution and pair correlation functions. For physically plausible interactions, we find modest changes when next-nearest neighbor interactions are included and generally negligible changes when more distant interactions are allowed. We discuss methods for extracting from simulated experimental data the characteristic scale-setting terms in assumed potential forms.

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

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.

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.

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.

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

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.

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.

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.

BBGKY hierarchy and dynamics of correlations

International Nuclear Information System (INIS)

Polishchuk, D.O.

2010-01-01

We derive the BBGKY hierarchy for the Fermi and Bose many-particle systems, using the von Neumann hierarchy for the correlation operators. The solution of the Cauchy problem of the formulated hierarchy in the case of an n-body interaction potential is constructed in the space of sequences of trace-class operators.

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.

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

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)

Two-body potentials in the collective model

International Nuclear Information System (INIS)

Draayer, J.P.; Rosensteel, G.; Arizona State Univ., Tempe

1982-01-01

The question, 'How well can a 1+2-body shell-model interaction represent a many-body potential.', is addressed by optimally expanding the (1+2+3)-body potential β 3 cos 3γ and the (1+2+3+4)-body potential β 4 of the Bohr-Mottelson collective model in terms of (1+2)-body operators. It is found that the correlation of β 4 with its approximation is greater than 97% throughout the sd shell. Although β 3 cos 3γ is also well approximated in the first half of the sd shell where it has more than 80% correlation with its approximation, the correlation drops abruptly at 28 Si to 50% and remains low in the second half of the shell. The approximations are primarily sums of the various components of the quadrupole-quadrupole interaction connecting different major oscillator shells. The results suggest that axially-symmetric deformation can be represented by simple (1+2)-body operators, whereas asymmetric shapes require non-simple 3-body terms. (orig.)

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.

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

Application of potential harmonic expansion method to BEC

Indian Academy of Sciences (India)

We adopt the potential harmonics expansion method for an ab initio solution of the many-body system in a Bose condensate containing interacting bosons. Unlike commonly adopted mean-field theories, our method is capable of handling two-body correlation properly. We disregard three- and higher-body correlations.

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.

Solutions for correlations along the coexistence curve and at the critical point of a kagomé lattice gas with three-particle interactions

Science.gov (United States)

Barry, J. H.; Muttalib, K. A.; Tanaka, T.

2008-01-01

We consider a two-dimensional (d=2) kagomé lattice gas model with attractive three-particle interactions around each triangular face of the kagomé lattice. Exact solutions are obtained for multiparticle correlations along the liquid and vapor branches of the coexistence curve and at criticality. The correlation solutions are also determined along the continuation of the curvilinear diameter of the coexistence region into the disordered fluid region. The method generates a linear algebraic system of correlation identities with coefficients dependent only upon the interaction parameter. Using a priori knowledge of pertinent solutions for the density and elementary triplet correlation, one finds a closed and linearly independent set of correlation identities defined upon a spatially compact nine-site cluster of the kagomé lattice. Resulting exact solution curves of the correlations are plotted and discussed as functions of the temperature and are compared with corresponding results in a traditional kagomé lattice gas having nearest-neighbor pair interactions. An example of application for the multiparticle correlations is demonstrated in cavitation theory.

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.

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

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

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.

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 (r_e 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 r_e 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 r_e 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

Strong correlations in few-fermion systems

Energy Technology Data Exchange (ETDEWEB)

Bergschneider, Andrea

2017-07-26

In this thesis, I report on the deterministic preparation and the observation of strongly correlated few-fermion systems in single and double-well potentials. In a first experiment, we studied a system of one impurity interacting with a number of majority atoms which we prepared in a single potential well in the one-dimensional limit. With increasing number of majority particles, we observed a decrease in the quasi-particle residue which is in agreement with expectations from the Anderson orthogonality catastrophe. In a second experiment, we prepared two fermions in a double-well potential which represents the fundamental building block of the Fermi-Hubbard model. By increasing the repulsion between the two fermions, we observed the crossover into the antiferromagnetic Mott-insulator regime. Furthermore, I describe a new imaging technique, which allows spin-resolved single-atom detection both in in-situ and in time-of-flight. We use this technique to investigate the emergence of momentum correlations of two repulsive fermions in the ground state of the double well. With the methods developed in this thesis, we have established a framework for quantum simulation of strongly correlated many-body systems in tunable potentials.

Nuclear collision theory with many-body correlations, 2

International Nuclear Information System (INIS)

Kurihara, Yukio.

1984-12-01

A nuclear collision theory, in which the many-body correlation induced by the strong short-ranged repulsion and medium-ranged attraction of the realistic NN interaction is explicitly included, is applied to the deuteron+deuteron elastic scattering at low energies. Pair correlation functions calculated by the present theory are very different from the Hackenbroich et al. 's one. They contain not only the short-ranged suppressive correlation, but also the medium-ranged enhancing correlation. The former changes the shape of the d-d potential from the wine-bottle one. And the latter makes the d-d potential much more attractive. This effect is necessary for reproducing a bump around thatesub(cm)=90 0 in the experimental elastic differential cross section. The phase shifts evaluated by the present theory are compared with those from the resonating-group method. (author)

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.

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.)

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.

[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.

Electron correlations in quantum dots

International Nuclear Information System (INIS)

Tipton, Denver Leonard John

2001-01-01

Quantum dot structures confine electrons in a small region of space. Some properties of semiconductor quantum dots, such as the discrete energy levels and shell filling effects visible in addition spectra, have analogies to those of atoms and indeed dots are sometimes referred to as 'artificial atoms'. However, atoms and dots show some fundamental differences due to electron correlations. For real atoms, the kinetic energy of electrons dominates over their mutual Coulomb repulsion energy and for this reason the independent electron approximation works well. For quantum dots the confining potential may be shallower than that of real atoms leading to lower electron densities and a dominance of mutual Coulomb repulsion over kinetic energy. In this strongly correlated regime the independent electron picture leads to qualitatively incorrect results. This thesis concentrates on few-electron quantum dots in the strongly correlated regime both for quasi-one-dimensional and two-dimensional dots in a square confining potential. In this so-called 'Wigner' regime the ground-state electronic charge density is localised near positions of classical electrostatic minima and the interacting electronic spectrum consists of well separated spin multiplets. In the strongly correlated regime the structure of low-energy multiplets is explained by mapping onto lattice models with extended-Hubbard and Heisenberg effective Hamiltonians. The parameters for these effective models are calculated within a Hartree approximation and are shown to reproduce well the exact results obtained by numerical diagonalisation of the full interacting Hamiltonian. Comparison is made between square dots and quantum rings with full rotational symmetry. In the very low-density regime, direct diagonalisation becomes impractical due to excessive computer time for convergence. In this regime a numerical renormalisation group method is applied to one-dimensional dots, enabling effective spin-interactions to be

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.

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.

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.

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...

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.

Toward a Rigorous Definition of a Strength of Any Interaction Between Bader's Atomic Basins.

Science.gov (United States)

Ananyev, Ivan V; Karnoukhova, Valentina A; Dmitrienko, Artem O; Lyssenko, Konstantin A

2017-06-15

Strength of interaction between Bader's atomic basins, enclosed by zero-flux surfaces of electron distribution, was proposed to be a measure of elastic deformation of an interaction. The set containing 53 atomic aggregate and covering all range of interaction strength (from van der Waals interactions to triple covalent bonds) was calculated by DFT and perturbation theory methods. Further analysis was performed to seek correlations between various local quantities based on electron density and effective force constants of stretching diatomic vibrations. The linear trend between effective force constants and the potential energy density at the (3, -1) critical point of electron distribution was found. This correlation was improved by the integration of the potential energy density over an interbasin zero-flux surface of electron density. Simple mechanical explanation of established trends is presented. The correlations can be further used to at least semiquantitatively compare any pair of interactions between Bader's atomic basins.

A femtoscopic correlation analysis tool using the Schrödinger equation (CATS)

Science.gov (United States)

Mihaylov, D. L.; Mantovani Sarti, V.; Arnold, O. W.; Fabbietti, L.; Hohlweger, B.; Mathis, A. M.

2018-05-01

We present a new analysis framework called "Correlation Analysis Tool using the Schrödinger equation" (CATS) which computes the two-particle femtoscopy correlation function C( k), with k being the relative momentum for the particle pair. Any local interaction potential and emission source function can be used as an input and the wave function is evaluated exactly. In this paper we present a study on the sensitivity of C( k) to the interaction potential for different particle pairs: p-p, p-Λ, K^-p, K^+-p, p-Ξ ^- and Λ- Λ. For the p-p Argonne v_{18} and Reid Soft-Core potentials have been tested. For the other pair systems we present results based on strong potentials obtained from effective Lagrangians such as χ EFT for p-Λ, Jülich models for K(\\bar{K})-N and Nijmegen models for Λ-Λ. For the p-Ξ^- pairs we employ the latest lattice results from the HAL QCD collaboration. Our detailed study of different interacting particle pairs as a function of the source size and different potentials shows that femtoscopic measurements can be exploited in order to constrain the final state interactions among hadrons. In particular, small collision systems of the order of 1 fm, as produced in pp collisions at the LHC, seem to provide a suitable environment for quantitative studies of this kind.

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.

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.

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.

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. 

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

Quantum logic using correlated one-dimensional quantum walks

Science.gov (United States)

Lahini, Yoav; Steinbrecher, Gregory R.; Bookatz, Adam D.; Englund, Dirk

2018-01-01

Quantum Walks are unitary processes describing the evolution of an initially localized wavefunction on a lattice potential. The complexity of the dynamics increases significantly when several indistinguishable quantum walkers propagate on the same lattice simultaneously, as these develop non-trivial spatial correlations that depend on the particle's quantum statistics, mutual interactions, initial positions, and the lattice potential. We show that even in the simplest case of a quantum walk on a one dimensional graph, these correlations can be shaped to yield a complete set of compact quantum logic operations. We provide detailed recipes for implementing quantum logic on one-dimensional quantum walks in two general cases. For non-interacting bosons—such as photons in waveguide lattices—we find high-fidelity probabilistic quantum gates that could be integrated into linear optics quantum computation schemes. For interacting quantum-walkers on a one-dimensional lattice—a situation that has recently been demonstrated using ultra-cold atoms—we find deterministic logic operations that are universal for quantum information processing. The suggested implementation requires minimal resources and a level of control that is within reach using recently demonstrated techniques. Further work is required to address error-correction.

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

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)

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)

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)

Tunable two-photon correlation in a double-cavity optomechanical system

Directory of Open Access Journals (Sweden)

Zhi-Bo Feng

2015-12-01

Full Text Available Correlated photons are essential sources for quantum information processing. We propose a practical scheme to generate pairs of correlated photons in a controllable fashion from a double-cavity optomechanical system, where the variable optomechanical coupling strength makes it possible to tune the photon correlation at our will. The key operation is based on the repulsive or attractive interaction between the two photons intermediated by the mechanical resonator. The present protocol could provide a potential approach to coherent control of the photon correlation using the optomechanical cavity.

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

Study on two-particle correlations between charged particles in semiinclusive PI-n interactions at a pulse 40 GeV/c

International Nuclear Information System (INIS)

Semerdzhiev, Kh.

1982-01-01

The two-particle correlations between secondary charged particles in a PI-n-interactions with PI-mesons at 40 GeV/c are studied in the frame of semiinclusive approach. For rapidity correlations two correlation functions are used and they are evaluated for four different multiplicities - 3, 5, 7 and >- 9. The obtained results are presented. Within the twofold (double) error limit the correlation function values at zero rapidities are non-zero and are vanishing with the multiplicity increase. The values for the particle with like charges are almost equal but are smaller than the values for opposite charges. It is concluded that the correlation function at zero rapidities does not depend on the target (p or n). For the first time semiinclusive azimuthal correlations in PI-n-interactions are investigated. The asymmetry coefficients are determined and the obtained values are given. It is shown that the asymmetry coefficient values for opposite charges are greater than ones for equal charges at rapidity differences (ΔY) smaller than 2. (author)

Operator representation for effective realistic interactions

Energy Technology Data Exchange (ETDEWEB)

Weber, Dennis; Feldmeier, Hans; Neff, Thomas [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, Darmstadt (Germany)

2013-07-01

We present a method to derive an operator representation from the partial wave matrix elements of effective realistic nucleon-nucleon potentials. This method allows to employ modern effective interactions, which are mostly given in matrix element representation, also in nuclear many-body methods requiring explicitly the operator representation, for example ''Fermionic Molecular Dynamics'' (FMD). We present results for the operator representation of effective interactions obtained from the Argonne V18 potential with the Uenitary Correlation Operator Method'' (UCOM) and the ''Similarity Renormalization Group'' (SRG). Moreover, the operator representation allows a better insight in the nonlocal structure of the potential: While the UCOM transformed potential only shows a quadratic momentum dependence, the momentum dependence of SRG transformed potentials is beyond such a simple polynomial form.

Hulthén and Coulomb-Like Potentials as a Tensor Interaction within the Relativistic Symmetries of the Manning-Rosen Potential

International Nuclear Information System (INIS)

Tokmehdashi, Hadi; Rajabi, Ali Akbar; Hamzavi, Majid

2014-01-01

The bound-state solutions of the Dirac equation for the Manning-Rosen potential are presented approximately for arbitrary spin-orbit quantum number κ with the Hulthén and Coulomb-like potentials as a tensor interaction. The generalized parametric Nikiforov-Uvarov (NU) method is used to obtain energy eigenvalues and corresponding two-component spinors of the two Dirac particles and these are obtained in the closed form by using the framework of the spin symmetry and p-spin symmetry concept. We have also shown that tensor interaction removes degeneracies between spin and p-spin doublets. Some numerical results are also given

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)

Potential drug-drug and drug-disease interactions in well-functioning community-dwelling older adults.

Science.gov (United States)

Hanlon, J T; Perera, S; Newman, A B; Thorpe, J M; Donohue, J M; Simonsick, E M; Shorr, R I; Bauer, D C; Marcum, Z A

2017-04-01

There are few studies examining both drug-drug and drug-disease interactions in older adults. Therefore, the objective of this study was to describe the prevalence of potential drug-drug and drug-disease interactions and associated factors in community-dwelling older adults. This cross-sectional study included 3055 adults aged 70-79 without mobility limitations at their baseline visit in the Health Aging and Body Composition Study conducted in the communities of Pittsburgh PA and Memphis TN, USA. The outcome factors were potential drug-drug and drug-disease interactions as per the application of explicit criteria drawn from a number of sources to self-reported prescription and non-prescription medication use. Over one-third of participants had at least one type of interaction. Approximately one quarter (25·1%) had evidence of had one or more drug-drug interactions. Nearly 10·7% of the participants had a drug-drug interaction that involved a non-prescription medication. % The most common drug-drug interaction was non-steroidal anti-inflammatory drugs (NSAIDs) affecting antihypertensives. Additionally, 16·0% had a potential drug-disease interaction with 3·7% participants having one involving non-prescription medications. The most common drug-disease interaction was aspirin/NSAID use in those with history of peptic ulcer disease without gastroprotection. Over one-third (34·0%) had at least one type of drug interaction. Each prescription medication increased the odds of having at least one type of drug interaction by 35-40% [drug-drug interaction adjusted odds ratio (AOR) = 1·35, 95% confidence interval (CI) = 1·27-1·42; drug-disease interaction AOR = 1·30; CI = 1·21-1·40; and both AOR = 1·45; CI = 1·34-1·57]. A prior hospitalization increased the odds of having at least one type of drug interaction by 49-84% compared with those not hospitalized (drug-drug interaction AOR = 1·49, 95% CI = 1·11-2·01; drug-disease interaction AOR = 1·69, CI = 1·15-2�

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

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

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.

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)

Comparison of short-range rapidity correlations in anti pp and pp interactions at √S = 53 GeV

International Nuclear Information System (INIS)

Breakstone, A.; Crawley, H.B.; Firestone, A.; Gorbics, M.; Lamsa, J.W.; Meyer, W.T.

1982-01-01

Measurements are presented of two-particle rapidity correlations in anti pp and pp at √S = 53 GeV. The data were recorded at the CERN-ISR using the Split Field Magnet spectrometer with a minimum bias trigger. Short range correlations in normal inelastic events with measured charged multiplicities nsub(ch) >= 4 are observed for pairs of charged particles in all charge combinations. Within the experimental errors no differences are observed between the analogous correlations in pp and anti pp interactions. (orig.)

Isobar configurations in nuclei and short range correlations

CERN Document Server

Weber, H J

1979-01-01

Recent results on short range correlations and isobar configurations are reviewed, and in particular a unitary version of the isobar model, coupling constants and rho -meson transition potentials, a comparison with experiments, the CERN N*-knockout from /sup 4/He, QCD and the NN interaction of short range. (42 refs).

Colorectal cancer mutational profiles correlate with defined microbial communities in the tumor microenvironment.

Science.gov (United States)

Burns, Michael B; Montassier, Emmanuel; Abrahante, Juan; Priya, Sambhawa; Niccum, David E; Khoruts, Alexander; Starr, Timothy K; Knights, Dan; Blekhman, Ran

2018-06-20

Variation in the gut microbiome has been linked to colorectal cancer (CRC), as well as to host genetic variation. However, we do not know whether, in addition to baseline host genetics, somatic mutational profiles in CRC tumors interact with the surrounding tumor microbiome, and if so, whether these changes can be used to understand microbe-host interactions with potential functional biological relevance. Here, we characterized the association between CRC microbial communities and tumor mutations using microbiome profiling and whole-exome sequencing in 44 pairs of tumors and matched normal tissues. We found statistically significant associations between loss-of-function mutations in tumor genes and shifts in the abundances of specific sets of bacterial taxa, suggestive of potential functional interaction. This correlation allows us to statistically predict interactions between loss-of-function tumor mutations in cancer-related genes and pathways, including MAPK and Wnt signaling, solely based on the composition of the microbiome. In conclusion, our study shows that CRC microbiomes are correlated with tumor mutational profiles, pointing towards possible mechanisms of molecular interaction.

Heat transfer, velocity-temperature correlation, and turbulent shear stress from Navier-Stokes computations of shock wave/turbulent boundary layer interaction flows

Science.gov (United States)

Wang, C. R.; Hingst, W. R.; Porro, A. R.

1991-01-01

The properties of 2-D shock wave/turbulent boundary layer interaction flows were calculated by using a compressible turbulent Navier-Stokes numerical computational code. Interaction flows caused by oblique shock wave impingement on the turbulent boundary layer flow were considered. The oblique shock waves were induced with shock generators at angles of attack less than 10 degs in supersonic flows. The surface temperatures were kept at near-adiabatic (ratio of wall static temperature to free stream total temperature) and cold wall (ratio of wall static temperature to free stream total temperature) conditions. The computational results were studied for the surface heat transfer, velocity temperature correlation, and turbulent shear stress in the interaction flow fields. Comparisons of the computational results with existing measurements indicated that (1) the surface heat transfer rates and surface pressures could be correlated with Holden's relationship, (2) the mean flow streamwise velocity components and static temperatures could be correlated with Crocco's relationship if flow separation did not occur, and (3) the Baldwin-Lomax turbulence model should be modified for turbulent shear stress computations in the interaction flows.

Non-empirical exchange-correlation parameterizations based on exact conditions from correlated orbital theory.

Science.gov (United States)

Haiduke, Roberto Luiz A; Bartlett, Rodney J

2018-05-14

Some of the exact conditions provided by the correlated orbital theory are employed to propose new non-empirical parameterizations for exchange-correlation functionals from Density Functional Theory (DFT). This reparameterization process is based on range-separated functionals with 100% exact exchange for long-range interelectronic interactions. The functionals developed here, CAM-QTP-02 and LC-QTP, show mitigated self-interaction error, correctly predict vertical ionization potentials as the negative of eigenvalues for occupied orbitals, and provide nice excitation energies, even for challenging charge-transfer excited states. Moreover, some improvements are observed for reaction barrier heights with respect to the other functionals belonging to the quantum theory project (QTP) family. Finally, the most important achievement of these new functionals is an excellent description of vertical electron affinities (EAs) of atoms and molecules as the negative of appropriate virtual orbital eigenvalues. In this case, the mean absolute deviations for EAs in molecules are smaller than 0.10 eV, showing that physical interpretation can indeed be ascribed to some unoccupied orbitals from DFT.

Non-empirical exchange-correlation parameterizations based on exact conditions from correlated orbital theory

Science.gov (United States)

Haiduke, Roberto Luiz A.; Bartlett, Rodney J.

2018-05-01

Some of the exact conditions provided by the correlated orbital theory are employed to propose new non-empirical parameterizations for exchange-correlation functionals from Density Functional Theory (DFT). This reparameterization process is based on range-separated functionals with 100% exact exchange for long-range interelectronic interactions. The functionals developed here, CAM-QTP-02 and LC-QTP, show mitigated self-interaction error, correctly predict vertical ionization potentials as the negative of eigenvalues for occupied orbitals, and provide nice excitation energies, even for challenging charge-transfer excited states. Moreover, some improvements are observed for reaction barrier heights with respect to the other functionals belonging to the quantum theory project (QTP) family. Finally, the most important achievement of these new functionals is an excellent description of vertical electron affinities (EAs) of atoms and molecules as the negative of appropriate virtual orbital eigenvalues. In this case, the mean absolute deviations for EAs in molecules are smaller than 0.10 eV, showing that physical interpretation can indeed be ascribed to some unoccupied orbitals from DFT.

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

Augmented potential, energy densities, and virial relations in the weak- and strong-interaction limits of DFT

Science.gov (United States)

Vuckovic, Stefan; Levy, Mel; Gori-Giorgi, Paola

2017-12-01

The augmented potential introduced by Levy and Zahariev [Phys. Rev. Lett. 113, 113002 (2014)] is shifted with respect to the standard exchange-correlation potential of the Kohn-Sham density functional theory by a density-dependent constant that makes the total energy become equal to the sum of the occupied orbital energies. In this work, we analyze several features of this approach, focusing on the limit of infinite coupling strength and studying the shift and the corresponding energy density at different correlation regimes. We present and discuss coordinate scaling properties of the augmented potential, study its connection to the response potential, and use the shift to analyze the classical jellium and uniform gas models. We also study other definitions of the energy densities in relation to the functional construction by local interpolations along the adiabatic connection. Our findings indicate that the energy density that is defined in terms of the electrostatic potential of the exchange-correlation hole is particularly well suited for this purpose.

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

Effective potentials from complex simulations: a potential-matching algorithm and remarks on coarse-grained potentials

International Nuclear Information System (INIS)

Toth, Gergely

2007-01-01

The projection of complex interactions onto simple distance-dependent or angle-dependent classical mechanical functions is a long-standing theoretical challenge in the field of computational sciences concerning biomolecules, colloids, aggregates and simple systems as well. The construction of an effective potential may be based on theoretical assumptions, on the application of fitting procedures on experimental data and on the simplification of complex molecular simulations. Recently, a force-matching method was elaborated to project the data of Car-Parrinello ab initio molecular dynamics simulations onto two-particle classical interactions (Izvekov et al 2004 J. Chem. Phys. 120 10896). We have developed a potential-matching algorithm as a practical analogue of this force-matching method. The algorithm requires a large number of configurations (particle positions) and a single value of the potential energy for each configuration. We show the details of the algorithm and the test calculations on simple systems. The test calculation on water showed an example in which a similar structure was obtained for qualitatively different pair interactions. The application of the algorithm on reverse Monte Carlo configurations was tried as well. We detected inconsistencies in a part of our calculations. We found that the coarse graining of potentials cannot be performed perfectly both for the structural and the thermodynamic data. For example, if one applies an inverse method with an input of the pair-correlation function, it provides energetics data for the configurations uniquely. These energetics data can be different from the desired ones obtained by all atom simulations, as occurred in the testing of our potential-matching method

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.)

New bases for the evaluation of interaction energies: An ab initio study of the CO-Ne van der Waals complex intermolecular potential and ro-vibrational spectrum

International Nuclear Information System (INIS)

Bouzon Capelo, Silvia; Baranowska-Laczkowska, Angelika; Fernandez, Berta

2011-01-01

Graphical abstract: CO-Ne IPES. Highlights: → From the LPol, MLPol, and aug-pc-2 bases we obtained new bases for the evaluation of CO-Ne interaction energies. → We checked the bases on the evaluation of the rovibrational spectrum. → The results were satisfactory, being the new bases more efficient than those previously available. - Abstract: Recently we have derived new efficient basis sets for the evaluation of interaction energies in the X-Y (X, Y = He, Ne, Ar) van der Waals complexes. Here we extend the study to the CO-Ne complex. For this, we start with a systematic basis set study, where the LPol, MLPol and Jensen's aug-pc-2 basis sets are considered as starting point (for the Ne atom LPol bases are developed). As reference we take interaction energy results obtained with Dunning's augmented correlation consistent polarized valence basis sets. In all cases we test extensions with different sets of midbond functions. With the selected bases we evaluate CCSD(T) interaction potentials, and to check the potentials further, we obtain the ro-vibrational spectrum of the complex. The results are compared to the available experimental data.

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.

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.)

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.

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.

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.

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

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

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.

Boson-exchange nucleon-nucleon potential and nuclear structure

International Nuclear Information System (INIS)

Grange, Pierre.

1976-01-01

A fully momentum-dependent one-boson-exchange potential is derived which takes into account the mesons, π, eta, sigma, rho, ω and phi. Scattering bound states and nuclear matter properties are studied in momentum space. The use of such potential is shown to be as easy as the use of more simple phenomenological interactions. In nuclear matter the formalism of Bethe-Goldstone is chosen to compute the binding energy versus density in the approximation of two-body and three-body correlations. The three-body correlated wave function obtained is then used [fr

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.

Correlation of electronic carotenoid-chlorophyll interactions and fluorescence quenching with the aggregation of native LHC II and chlorophyll deficient mutants

International Nuclear Information System (INIS)

Liao, Pen-Nan; Bode, Stefan; Wilk, Laura; Hafi, Nour; Walla, Peter J.

2010-01-01

The aggregation dependent correlation between fluorescence quenching and the electronic carotenoid-chlorophyll interactions, φ Coupling Car S 1 -Chl , as measured by comparing chlorophyll fluorescence observed after two- and one-photon excitation, has been investigated using native LHC II samples as well as mutants lacking Chl 2 and Chl 13. For native LHC II the same linear correlation between φ Coupling Car S 1 -Chl and the fluorescence quenching was observed as previously reported for the pH and Zea-dependent quenching of LHC II . In order to elucidate which carotenoid-chlorophyll pair might dominate this correlation we also investigated the mutants lacking Chl 2 and Chl 13. However, also with these mutants the same linear correlation as for native LHC II was observed. This provides indication that these two chlorophylls play only a minor role for the observed effects. Nevertheless, we also conclude that this does not exclude that their neighboured carotenoids, lutein 1 and neoxanthin, might interact electronically with other chlorophylls close by.

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.

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.

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.

A self-interaction-free local hybrid functional: Accurate binding energies vis-à-vis accurate ionization potentials from Kohn-Sham eigenvalues

International Nuclear Information System (INIS)

Schmidt, Tobias; Kümmel, Stephan; Kraisler, Eli; Makmal, Adi; Kronik, Leeor

2014-01-01

We present and test a new approximation for the exchange-correlation (xc) energy of Kohn-Sham density functional theory. It combines exact exchange with a compatible non-local correlation functional. The functional is by construction free of one-electron self-interaction, respects constraints derived from uniform coordinate scaling, and has the correct asymptotic behavior of the xc energy density. It contains one parameter that is not determined ab initio. We investigate whether it is possible to construct a functional that yields accurate binding energies and affords other advantages, specifically Kohn-Sham eigenvalues that reliably reflect ionization potentials. Tests for a set of atoms and small molecules show that within our local-hybrid form accurate binding energies can be achieved by proper optimization of the free parameter in our functional, along with an improvement in dissociation energy curves and in Kohn-Sham eigenvalues. However, the correspondence of the latter to experimental ionization potentials is not yet satisfactory, and if we choose to optimize their prediction, a rather different value of the functional's parameter is obtained. We put this finding in a larger context by discussing similar observations for other functionals and possible directions for further functional development that our findings suggest

Functional importance of different patterns of correlation between adjacent cassette exons in human and mouse.

Science.gov (United States)

Peng, Tao; Xue, Chenghai; Bi, Jianning; Li, Tingting; Wang, Xiaowo; Zhang, Xuegong; Li, Yanda

2008-04-26

Alternative splicing expands transcriptome diversity and plays an important role in regulation of gene expression. Previous studies focus on the regulation of a single cassette exon, but recent experiments indicate that multiple cassette exons within a gene may interact with each other. This interaction can increase the potential to generate various transcripts and adds an extra layer of complexity to gene regulation. Several cases of exon interaction have been discovered. However, the extent to which the cassette exons coordinate with each other remains unknown. Based on EST data, we employed a metric of correlation coefficients to describe the interaction between two adjacent cassette exons and then categorized these exon pairs into three different groups by their interaction (correlation) patterns. Sequence analysis demonstrates that strongly-correlated groups are more conserved and contain a higher proportion of pairs with reading frame preservation in a combinatorial manner. Multiple genome comparison further indicates that different groups of correlated pairs have different evolutionary courses: (1) The vast majority of positively-correlated pairs are old, (2) most of the weakly-correlated pairs are relatively young, and (3) negatively-correlated pairs are a mixture of old and young events. We performed a large-scale analysis of interactions between adjacent cassette exons. Compared with weakly-correlated pairs, the strongly-correlated pairs, including both the positively and negatively correlated ones, show more evidence that they are under delicate splicing control and tend to be functionally important. Additionally, the positively-correlated pairs bear strong resemblance to constitutive exons, which suggests that they may evolve from ancient constitutive exons, while negatively and weakly correlated pairs are more likely to contain newly emerging exons.

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.

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

Band-structure calculations of noble-gas and alkali halide solids using accurate Kohn-Sham potentials with self-interaction correction

International Nuclear Information System (INIS)

Li, Y.; Krieger, J.B.; Norman, M.R.; Iafrate, G.J.

1991-01-01

The optimized-effective-potential (OEP) method and a method developed recently by Krieger, Li, and Iafrate (KLI) are applied to the band-structure calculations of noble-gas and alkali halide solids employing the self-interaction-corrected (SIC) local-spin-density (LSD) approximation for the exchange-correlation energy functional. The resulting band gaps from both calculations are found to be in fair agreement with the experimental values. The discrepancies are typically within a few percent with results that are nearly the same as those of previously published orbital-dependent multipotential SIC calculations, whereas the LSD results underestimate the band gaps by as much as 40%. As in the LSD---and it is believed to be the case even for the exact Kohn-Sham potential---both the OEP and KLI predict valence-band widths which are narrower than those of experiment. In all cases, the KLI method yields essentially the same results as the OEP

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.

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.

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

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

Quantum correlations between each two-level system in a pair of atoms and general coherent fields

Directory of Open Access Journals (Sweden)

S. Abdel-Khalek

Full Text Available The quantitative description of the quantum correlations between each two-level system in a two-atom system and the coherent fields initially defined in a coherent state in the framework of power-law potentials (PLPCSs is considered. Specifically, we consider two atoms locally interacting with PLPCSs and take into account the different terms of interactions, the entanglement and quantum discord are studied including the time-dependent coupling and photon transition effects. Using the monogamic relation between the entanglement of formation and quantum discord in tripartite systems, we show that the control and preservation of the different kinds of quantum correlations greatly benefit from the combination of the choice of the physical quantities. Finally, we explore the link between the dynamical behavior of quantum correlations and nonclassicality of the fields with and without atomic motion effect. Keywords: Quantum correlations, Monogamic relation, Coherent states, Power-law potentials, Wehrl entropy

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)

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.

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

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.

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

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.

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.

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.

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.

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.

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.

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.

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

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.

The role of the ion-molecule and molecule-molecule interactions in the formation of the two-ion average force interaction potential

CERN Document Server

Ajrian, E A; Sidorenko, S N

2002-01-01

The effect of the ion-molecule and intermolecular interactions on the formation of inter-ion average force potentials is investigated within the framework of a classical ion-dipole model of electrolyte solutions. These potentials are shown to possess the Coulomb asymptotics at large distances while in the region of mean distances they reveal creation and disintegration of solvent-shared ion pairs. The calculation results provide a qualitatively authentic physical picture which is experimentally observed in strong electrolytes solutions. In particular, an increased interaction between an ion and a molecule enhances formation of ion pairs in which the ions are separated by one solvent molecule

The hyperon-nucleon interaction

International Nuclear Information System (INIS)

Haidenbauer, J.

2007-01-01

Results of two recent hyperon-nucleon interaction potentials, both developed by the Bonn-Juelich group, are presented that are derived either in the conventional meson-exchange picture or within leading order chiral effective field theory. The chiral potential consists of one-pseudoscalar-meson exchanges and non-derivative four-baryon contact terms. The most salient feature of the new meson-exchange hyperon-nucleon model is that the contributions in the scalar-isoscalar (σ) and vector-isovector (ρ) exchange channels are constrained by a microscopic model of correlated ππ and KK-bar exchange

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.

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.

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

Influence of the potential well and the potential barrier on the density distribution of confined-model fluids

CERN Document Server

Lee, B H; Lee, C H; Seong Baek Seok

2000-01-01

A density functional perturbative approximation, which is based on the density functional expansion of the one-particle direct correlation function of model fluids with respect to the bulk density, has been employed to investigate the influence of the potential well and the potential barrier on the density behavior of confined-model fluids. The mean spherical approximation has been used to calculate the two-particle direct correlation function of the model fluids. At lower densities, the density distributions are strongly affected by the barrier height and the well depth of the model potential, the contribution from the short-range repulsive part being especially important. However, the effects of the barrier height and the well depth of the model potential decrease with increasing bulk density. The calculated results also show that in the region where the effect of the wall-fluid interaction is relatively weak, the square-barrier part of the model potential leads to a nonuniformity in the density distributio...

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.

Measuring baryon-(anti-)baryon interaction cross-sections with femtoscopy in Heavy-Ion Collisions

Energy Technology Data Exchange (ETDEWEB)

Kisiel, A.

2016-12-15

Two-particle correlations at low relative momentum (femtoscopy) are used to study the space-time dynamics of the source created in heavy-ion collisions. The same method can be used in a novel way to study the Final State Interaction potential for various particle pairs. The parameters are also directly related to the relevant interaction cross-sections. Of special interest are correlations of baryons, where the strong interaction often dominates. The femtoscopic technique offers a unique opportunity to study this interaction in such systems. In this work we discuss the similarities and differences of such measurement for baryon-baryon and baryon-antibaryon pairs.

Study of nuclear medium effects on the effective interaction based on the one-boson exchange model

International Nuclear Information System (INIS)

Nakayama, K.

1985-02-01

In this work, starting from a realistic nucleon-nucleon interaction based on the one-boson exchange model for the nuclear force, we attempted a microscopic derivation of the effective interaction which may be appropriate for nuclear structure as well as for nucleon-nucleus scattering problems. Short-range correlations and medium polarization as well as relativistic effects on both particle-hole and Δ-hole interactions have been investigated. For the nucleon-nucleon case short-range correlations are basically restricted to S-states and affect mainly the central components of the effective interaction. In contrast, the Δ-nucleon interaction is essentially unaffected by short-range correlations due to the Pauli principle restrictions and the momentum mismatch between the central components of the correlation operator and the tensor component of the bare transition potential. Based on these analyses it is shown that short-range correlation effects can be summarized in a very simple correlation operator. (orig./HSI)

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)

How structure determines correlations in neuronal networks.

Directory of Open Access Journals (Sweden)

Volker Pernice

2011-05-01

Full Text Available Networks are becoming a ubiquitous metaphor for the understanding of complex biological systems, spanning the range between molecular signalling pathways, neural networks in the brain, and interacting species in a food web. In many models, we face an intricate interplay between the topology of the network and the dynamics of the system, which is generally very hard to disentangle. A dynamical feature that has been subject of intense research in various fields are correlations between the noisy activity of nodes in a network. We consider a class of systems, where discrete signals are sent along the links of the network. Such systems are of particular relevance in neuroscience, because they provide models for networks of neurons that use action potentials for communication. We study correlations in dynamic networks with arbitrary topology, assuming linear pulse coupling. With our novel approach, we are able to understand in detail how specific structural motifs affect pairwise correlations. Based on a power series decomposition of the covariance matrix, we describe the conditions under which very indirect interactions will have a pronounced effect on correlations and population dynamics. In random networks, we find that indirect interactions may lead to a broad distribution of activation levels with low average but highly variable correlations. This phenomenon is even more pronounced in networks with distance dependent connectivity. In contrast, networks with highly connected hubs or patchy connections often exhibit strong average correlations. Our results are particularly relevant in view of new experimental techniques that enable the parallel recording of spiking activity from a large number of neurons, an appropriate interpretation of which is hampered by the currently limited understanding of structure-dynamics relations in complex networks.

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

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

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)

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

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.

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.

Pair-correlations in swimmer suspensions

Science.gov (United States)

Nambiar, Sankalp; Subramanian, Ganesh

2017-11-01

Suspensions of rear-actuated swimming microorganisms, such as E.coli, exhibit several interesting phenomena including spontaneous pattern formation above a critical concentration, novel rheological properties, shear-induced concentration banding etc. Explanations based on mean-field theory are only qualitative, since interactions between swimmers are important for typical experimental concentrations. We analytically characterize the hydrodynamic pair-interactions in a quiescent suspension of slender straight swimmers. The pair-correlation, calculated at leading order by integrating the swimmer velocity disturbances along straight trajectories, decays as 1/r2 for r >> L (L being the swimmer size). This allows us to characterize both polar and nematic correlations in an interacting swimmer suspension. In the absence of correlations, the velocity covariance asymptotes from a constant for r > L, the latter being characteristic of a suspension of non-interacting point force-dipoles. On including correlations, the slow decay of the pair-orientation correlation leads to an additional contribution to the velocity covariance that diverges logarithmically with system size.

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

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.

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.

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...

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.

Quantum dynamics modeled by interacting trajectories

Science.gov (United States)

Cruz-Rodríguez, L.; Uranga-Piña, L.; Martínez-Mesa, A.; Meier, C.

2018-03-01

We present quantum dynamical simulations based on the propagation of interacting trajectories where the effect of the quantum potential is mimicked by effective pseudo-particle interactions. The method is applied to several quantum systems, both for bound and scattering problems. For the bound systems, the quantum ground state density and zero point energy are shown to be perfectly obtained by the interacting trajectories. In the case of time-dependent quantum scattering, the Eckart barrier and uphill ramp are considered, with transmission coefficients in very good agreement with standard quantum calculations. Finally, we show that via wave function synthesis along the trajectories, correlation functions and energy spectra can be obtained based on the dynamics of interacting trajectories.

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

Sense-antisense (complementary) peptide interactions and the proteomic code; potential opportunities in biology and pharmaceutical science.

Science.gov (United States)

Miller, Andrew D

2015-02-01

A sense peptide can be defined as a peptide whose sequence is coded by the nucleotide sequence (read 5' → 3') of the sense (positive) strand of DNA. Conversely, an antisense (complementary) peptide is coded by the corresponding nucleotide sequence (read 5' → 3') of the antisense (negative) strand of DNA. Research has been accumulating steadily to suggest that sense peptides are capable of specific interactions with their corresponding antisense peptides. Unfortunately, although more and more examples of specific sense-antisense peptide interactions are emerging, the very idea of such interactions does not conform to standard biology dogma and so there remains a sizeable challenge to lift this concept from being perceived as a peripheral phenomenon if not worse, into becoming part of the scientific mainstream. Specific interactions have now been exploited for the inhibition of number of widely different protein-protein and protein-receptor interactions in vitro and in vivo. Further, antisense peptides have also been used to induce the production of antibodies targeted to specific receptors or else the production of anti-idiotypic antibodies targeted against auto-antibodies. Such illustrations of utility would seem to suggest that observed sense-antisense peptide interactions are not just the consequence of a sequence of coincidental 'lucky-hits'. Indeed, at the very least, one might conclude that sense-antisense peptide interactions represent a potentially new and different source of leads for drug discovery. But could there be more to come from studies in this area? Studies on the potential mechanism of sense-antisense peptide interactions suggest that interactions may be driven by amino acid residue interactions specified from the genetic code. If so, such specified amino acid residue interactions could form the basis for an even wider amino acid residue interaction code (proteomic code) that links gene sequences to actual protein structure and function, even

Study of Omega-proton correlations in heavy-ion collisions

Science.gov (United States)

Han, Yifei; STAR Collaboration

2015-10-01

Recently the STAR experiment at RHIC measured Lambda-Lambda correlations from Au+Au collisions at √{sNN} = 200 GeV to search for the H particle (uuddss). The correlation strength indicated that the Lambda-Lambda interaction is weak and is unlikely to be attractive enough to form a bound state. A recent lattice QCD calculation predicted a possible di-baryon bound state with Omega-nucleon. Thus, we will extend the correlation measurements to Omega-proton, which could potentially be a sensitive approach to search for such a state. We will present the Omega-proton correlations based on data collected by STAR in Au+Au collisions at √{sNN} =200 GeV, and discuss the physics implications. for the STAR collaboration.

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.

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

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)

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.

Oxidative potential of gas phase combustion emissions - An underestimated and potentially harmful component of air pollution from combustion processes

Science.gov (United States)

Stevanovic, S.; Vaughan, A.; Hedayat, F.; Salimi, F.; Rahman, M. M.; Zare, A.; Brown, R. A.; Brown, R. J.; Wang, H.; Zhang, Z.; Wang, X.; Bottle, S. E.; Yang, I. A.; Ristovski, Z. D.

2017-06-01

The oxidative potential (OP) of the gas phase is an important and neglected aspect of environmental toxicity. Whilst prolonged exposure to particulate matter (PM) associated reactive oxygen species (ROS) have been shown to lead to negative health effects, the potential for compounds in gas phase to cause similar effects is yet to be understood. In this study we describe: the significance of the gas phase OP generated through vehicle emissions; discuss the origin and evolution of species contributing to measured OP; and report on the impact of gas phase OP on human lung cells. The model aerosol for this study was exhaust emitted from a Euro III Common-rail diesel engine fuelled with different blends of diesel and biodiesel. The gas phase of these emissions was found to be potentially as hazardous as the particle phase. Fuel oxygen content was found to negatively correlate with the gas phase OP, and positively correlate with particle phase OP. This signifies a complex interaction between reactive species present in gas and particle phase. Furthermore, this interaction has an overarching effect on the OP of both particle and gas phase, and therefore the toxicity of combustion emissions.

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.

Diagrammatic analysis of correlations in polymer fluids: Cluster diagrams via Edwards' field theory

International Nuclear Information System (INIS)

Morse, David C.

2006-01-01

Edwards' functional integral approach to the statistical mechanics of polymer liquids is amenable to a diagrammatic analysis in which free energies and correlation functions are expanded as infinite sums of Feynman diagrams. This analysis is shown to lead naturally to a perturbative cluster expansion that is closely related to the Mayer cluster expansion developed for molecular liquids by Chandler and co-workers. Expansion of the functional integral representation of the grand-canonical partition function yields a perturbation theory in which all quantities of interest are expressed as functionals of a monomer-monomer pair potential, as functionals of intramolecular correlation functions of non-interacting molecules, and as functions of molecular activities. In different variants of the theory, the pair potential may be either a bare or a screened potential. A series of topological reductions yields a renormalized diagrammatic expansion in which collective correlation functions are instead expressed diagrammatically as functionals of the true single-molecule correlation functions in the interacting fluid, and as functions of molecular number density. Similar renormalized expansions are also obtained for a collective Ornstein-Zernicke direct correlation function, and for intramolecular correlation functions. A concise discussion is given of the corresponding Mayer cluster expansion, and of the relationship between the Mayer and perturbative cluster expansions for liquids of flexible molecules. The application of the perturbative cluster expansion to coarse-grained models of dense multi-component polymer liquids is discussed, and a justification is given for the use of a loop expansion. As an example, the formalism is used to derive a new expression for the wave-number dependent direct correlation function and recover known expressions for the intramolecular two-point correlation function to first-order in a renormalized loop expansion for coarse-grained models of

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

Precise synaptic efficacy alignment suggests potentiation dominated learning

Directory of Open Access Journals (Sweden)

Christoph eHartmann

2016-01-01

Full Text Available Recent evidence suggests that parallel synapses from the same axonal branch onto the same dendritic branch have almost identical strength. It has been proposed that this alignment is only possible through learning rules that integrate activity over long time spans. However, learning mechanisms such as spike-timing-dependent plasticity (STDP are commonly assumed to be temporally local. Here, we propose that the combination of temporally local STDP and a multiplicative synaptic normalization mechanism is sufficient to explain the alignment of parallel synapses.To address this issue, we introduce three increasingly complex models: First, we model the idealized interaction of STDP and synaptic normalization in a single neuron as a simple stochastic process and derive analytically that the alignment effect can be described by a so-called Kesten process. From this we can derive that synaptic efficacy alignment requires potentiation-dominated learning regimes. We verify these conditions in a single-neuron model with independent spiking activities but more realistic synapses. As expected, we only observe synaptic efficacy alignment for long-term potentiation-biased STDP. Finally, we explore how well the findings transfer to recurrent neural networks where the learning mechanisms interact with the correlated activity of the network. We find that due to the self-reinforcing correlations in recurrent circuits under STDP, alignment occurs for both long-term potentiation- and depression-biased STDP, because the learning will be potentiation dominated in both cases due to the potentiating events induced by correlated activity. This is in line with recent results demonstrating a dominance of potentiation over depression during waking and normalization during sleep. This leads us to predict that individual spine pairs will be more similar in the morning than they are after sleep depriviation.In conclusion, we show that synaptic normalization in conjunction with

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

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...

Influence of extranuclear fields on angular correlations; Influence des champs extranucleaires sur les correlations angulaires

Energy Technology Data Exchange (ETDEWEB)

Abragam, A [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1958-07-01

A general formalism is given for the description of the perturbation of angular correlations by extranuclear fields. An application is made to the case of static interactions in solids and time dependent interactions in liquids. (author) [French] On donne un formalisme general pour la description de la perturbation des correlations angulaires par des champs extranucleaires. Ce formalisme est applique aux cas des interactions statiques dans les solides et des interactions dependantes du temps dans les liquides. (auteur)

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)

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.

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)

Factors Associated with Potential Food-Drug Interaction in Hospitalized Patients: A Cross-Sectional Study in Northeast Iran

Directory of Open Access Journals (Sweden)

Mostafa Abdollahi

2018-04-01

Full Text Available Background: The minimization of adverse food-drug interactions will improve patient care by optimizing the therapeutic effects and maintaining proper nutritional status. Aim: The aim of the present study was to find the main factors that may place the hospitalized patients at risk of potential food-drug interactions. Method: This cross-sectional, descriptive study was conducted on 400 inpatients admitted to the Department of Internal Medicine of a teaching hospital in Mashhad, Northeast Iran, within 20 March 2013 to 20 April 2013. The potential food-drug interactions were evaluated for 19 commonly prescribed medications. The main factors (e.g., age, gender, education level, number of medications, and duration of the disease that may place the patients at risk of potential food-drug interactions were analyzed for each patient. Results: Out of the 19 commonly prescribed medications, 17 drugs (89% were not properly used with respect to meal. Furthermore, 14 commonly prescribed drugs were found to have a high frequency (≥50% of potential food-drug interactions. Most of the patients (n=359, 89.8% consumed their medicines at inappropriate time with respect to meals. The results of a multiple logistic regression after adjustment for confounders revealed that the age [β=0.005, CI: 0.0-0.01; P=033], number of medications [β=0.1, CI: 0.083-0.117; P

Superconductivity in a Fermi liquid from repulsive interactions: The role of electron–phonon interaction

International Nuclear Information System (INIS)

Fan, J.D.; Malozovsky, Y.M.

2013-01-01

Highlights: • The sign reversal of pair interaction in momentum space is proved. • It is also shown that electron-phonon interaction in fact leads to the pairing-break effect. • Transition temperature into superconductivity depends on competition between electron-phonon and Coulomb interactions. • Calculated exponent α of the isotope effect shows the possibility equal to, greater or less than 0.5, and even negative. -- Abstract: Based on our previously proven theorem that the interaction between a pair of quasiparticles in the normal Fermi liquid has an opposite sign to the interaction between particles, we consider pair correlation between a pair of quasiparticles when the interaction between particles is repulsive. For the convenience of statements, we have presented in this article once again the proof of the theorem in terms of an exact equation for the thermodynamic potential due to interaction between particles and based on the Green’s function method. Further, we have derived the Landau expansion of the thermodynamic potentials in terms of the variation of the quasiparticle distribution function. We have also derived the expansion of the thermodynamic potential in terms of the variation of an exact single particle (not quasiparticles), these derivations lead to the relationship between the interaction function for two quasiparticles and the interaction energy between two particles as shown. According to the proven theorem the interaction between a pair of quasiparticles is attractive in this case, the pairing – Cooper’s pairing between a pair of quasiparticles is possible. We solve the Bethe–Salpeter type equation for paring of two quasiparticles when both interactions – the Coulomb repulsive and electron–phonon interaction are present. We show that the electron–phonon interaction, in fact, leads to the pair breaking effect, in contrast to the common belief that electron–phonon interaction is the main mechanism for Cooper’s pair

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

Energy Technology Data Exchange (ETDEWEB)

Udagawa, Taro [Department of Chemistry and Biomolecuar Science, Faculty of Engineering, Gifu University, Yanagido 1-1, Gifu 501-1193 (Japan); Tsuneda, Takao [Fuel Cell Nanomaterials Center, University of Yamanashi, Miyamae-cho 6-43, Kofu 400-0021 (Japan); Tachikawa, Masanori [Quqnatum Chemistry Division, Graduate School of Science, Yokohama City University, Seto 22-2, Kanazawa, Yokohama 236-0027 (Japan)

2015-12-31

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

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.

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.

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.

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.

The Self-Correlation Function of Real Gases

International Nuclear Information System (INIS)

Sigmar, D.J.

1965-01-01

In the formal theory of inelastic scattering of neutrons, the self-correlation function has been worked out in terms of statistical averages of the derivatives of die N-body interaction-potential of the scatterer. In the present paper, these averages are evaluated for real gases by means of a cluster-expansion related to that of Mayer-Ursell. This leads to certain non-linear types of clusters, which are investigated with respect to the topology of the graphs, their multiplicity (by combinatorial analysis) and their quadrature. As one expects, in view of the many-body problem, some of the clusters are not separable and have to be machine-integrated. In this way, the self-correlation function γ s (K, t) is cálculated for short times, including also the first non-Gaussian term. The cluster-expansion breaks off after the first interaction term, so that the results are valid for low density only. This still gives rise to very many different types of clusters, containing up to seven points, for each coefficient. The assumed potential is a general two-particle, hard-core type. As Singwi et al. have shown, the long time behaviour of γs is determined by the time integral of the velocity auto-correlation: ∫ ∞ 0 K (0) V K (t) > T dt. To construct the integrand for all times, we can make use of our cluster-expansion for small t and adopt Langevin’s diffusion theory for large t. Numerical computations are under way. (author) [fr

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

Calculation of the real part of the interaction potential between two heavy ions in the sudden approximation

International Nuclear Information System (INIS)

Ngo, H.; Ngo, C.

1980-04-01

We have calculated the interaction potential between two heavy ions using the energy density formalism and Fermi distributions for the nuclear densities. The experimental fusion barriers are rather well reproduced. The conditions for the observation of fusion between two heavy ions is discussed. As far as the nuclear part of the interaction potential is concerned, the proximity scaling is investigated in details. It is found that the proximity theorem is satisfied to a good extent. However, as far as the neutron excess is concerned, a disagreement with the proximity potential is observed

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

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.

Multiplicity correlations in the forward and backward hemispheres in the center of mass in bar pp and pp interactions at 32 GeV/c

International Nuclear Information System (INIS)

Bravina, L.V.; Amelin, N.S.; Bogolyubskii, M.Y.; Bumazhnov, V.A.; Vinitskii, A.A.; Ermolov, P.F.; Zhautykov, B.O.; Zabrodin, E.E.; Kiryunin, A.E.; Klochkov, M.A.; Kotova, A.I.; Kruglov, N.A.; Levitskii, M.S.; Lukina, O.Y.; Minaenko, A.A.; Moiseev, A.M.; Murzin, V.S.; Proskuryakov, A.S.; Rizatdinova, F.K.; Sarycheva, L.I.; Smirnova, L.N.; Starchenko, E.A.; Ukhanov, M.N.; Chekulaev, S.V.

1989-01-01

A rise in the average multiplicity of particles in one hemisphere in the c.m.s. of bar pp and pp interactions with energy (s) 1/2 =7.86 GeV is observed with increase of the number of particles in the other hemisphere. The correlation parameter reaches b=0.19±0.01 and 0.10±0.02 in inelastic bar pp and pp interactions respectively. The observed correlations are reproduced in the quark-gluon string model

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.

Interactions of heavy quarks in quantum chromodynamics

International Nuclear Information System (INIS)

Dine, M.

1978-01-01

The interactions of heavy quarks in quantum chromodynamics (QCD) are analyzed in detail. The problem of extracting instantaneous interaction potentials from quantum field theory is first reviewed, in the context of simple models. How such a potential for a fermion-antifermion system may be extracted is indicated. After a review of the quantization of non-Abelian gauge theories in Coulomb gauge, the interaction of a heavy quark-antiquark (Q anti Q) pair is considered. A Ward identity relating the Coulomb-gluon-fermion vertex to the fermion self-energy is derived. This identity is used to prove the mass independence of the static potential. The potential is shown to be infrared finite through two loops, and its general structure in perturbation theory is indicated. At three loops, divergences associated with long-lived intermediate states appear. A method to resolve this problem for static sources is given, but the result cannot readily be identified as a potential appropriate to the description of a Q anti Q bound state. This problem is discussed in detail. Then the spin-dependent interactions in these systems are analyzed. It is shown that the spin-dependent potentials depend in a nontrivial way on the quark mass. The phenomenological implications of these results are considered. In conclusion, the implications of the results for nonperturbative attacks on the potential problem are discussed. The importance of source-field correlations is stressed. The limitations of schemes introduced recently to compute spin-dependent forces due to instantons are illustrated

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

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

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.

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

Concerning the theory of radiation cascades of atomic collisions in a solid with an arbitrary interatomic interaction potential

International Nuclear Information System (INIS)

Ryazanov, A.I.; Metelkin, E.V.

1980-01-01

Cascades of atomic collisions created by high energy particles as a result of irradiation of solids by them are considered. The solution of the problem is based on the investigation of the Boltzmann stationary kinetic equation for moving atoms. For this equation a model scattering indicatrix is constructed with an arbitrary form of the potential of interaction of moving atoms with lattice atoms. The choice of the model scattering indicatrix of atoms is determined by the normalization, the average energy loss in a single collision and by the deviation of the energy losses really occurring in the collision from the mean value, as well as by the initial kinetic equation for moving atoms. The energy distribution of moving atoms for arbitrary interatomic interaction potentials has been obtained using the constructed model scattering indicatrix. On the basis of the theory constructed a cascade is calculated with an interatomic interaction potential in the form of the Thomas-Fermi potential and the power potential. (author)

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.

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.

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…

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.

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 ...

Significance and properties of internucleon correlation functions

OpenAIRE

Suzuki, Y.; Horiuchi, W.

2008-01-01

We show that a nuclear Hamiltonian and a set of internucleon correlation functions is in a one-to-one correspondence. The correlation functions for $s$-shell nuclei interacting via the two-nucleon interaction of AV8$^\\prime$ type are calculated to exhibit the importance of tensor correlations as well as short-range central correlation. The asymptotic behavior of the correlation functions is also discussed.

Sources, potentials and fields in Lorenz and Coulomb gauge: Cancellation of instantaneous interactions for moving point charges

International Nuclear Information System (INIS)

Wundt, B.J.; Jentschura, U.D.

2012-01-01

We investigate the coupling of the electromagnetic sources (charge and current densities) to the scalar and vector potentials in classical electrodynamics, using Green function techniques. As is well known, the scalar potential shows an action-at-a-distance behavior in Coulomb gauge. The conundrum generated by the instantaneous interaction has intrigued physicists for a long time. Starting from the differential equations that couple the sources to the potentials, we here show in a concise derivation, using the retarded Green function, how the instantaneous interaction cancels in the calculation of the electric field. The time derivative of a specific additional term in the vector potential, present only in Coulomb gauge, yields a supplementary contribution to the electric field which cancels the gradient of the instantaneous Coulomb gauge scalar potential, as required by gauge invariance. This completely eliminates the contribution of the instantaneous interaction from the electric field. It turns out that a careful formulation of the retarded Green function, inspired by field theory, is required in order to correctly treat boundary terms in partial integrations. Finally, compact integral representations are derived for the Liénard–Wiechert potentials (scalar and vector) in Coulomb gauge which manifestly contain two compensating action-at-a-distance terms. - Highlights: ► We investigate action-at-a-distance effects in electrodynamics in detail. ► We calculate the instantaneous interactions for scalar and vector potentials. ► The cancellation mechanism involves the retarded Green function. ► The mechanism is confirmed on the example of moving point charges. ► The Green function has to be treated with care for nontrivial boundary terms.

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.

Correlation functions of one-dimensional Lieb-Liniger anyons

International Nuclear Information System (INIS)

Patu, Ovidiu I; Korepin, Vladimir E; Averin, Dmitri V

2007-01-01

We have investigated the properties of a model of 1D anyons interacting through a δ-function repulsive potential. The structure of the quasi-periodic boundary conditions for the anyonic field operators and the many-anyon wavefunctions is clarified. The spectrum of the low-lying excitations including the particle-hole excitations is calculated for periodic and twisted boundary conditions. Using the ideas of the conformal field theory we obtain the large-distance asymptotics of the density and field correlation function at the critical temperature T = 0 and at small finite temperatures. Our expression for the field correlation function extends the results in the literature obtained for harmonic quantum anyonic fluids

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.

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.

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.)

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

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.

Spinodal Theory: A Common Rupturing Mechanism in Spinodal Dewetting and Surface Directed Phase Separation (Some Technological Aspects: Spatial Correlations and the Significance of Dipole-Quadrupole Interaction in Spinodal Dewetting)

International Nuclear Information System (INIS)

Singh, S.P.; Singh, S.P.

2011-01-01

The emerging structures in spinodal dewetting of thin nano films and spinodal decomposition of binary mixtures are found to be similar with certain differences attributed to the nonlinearities inherent in the wetting forces. This paper deals with the technological aspects of the spinodal processes by giving a brief account of the theory and to correlate the two phenomena termed as spinodal dewetting of thin nano films and surface-directed phase separation. The MC simulation micrographs at early stage of spinodal dewetting of a (linear) polymer film confined between two hard walls (using FENE potential between the beads on same chain and Morse potential between inter and intra chain beads) show similarities with surface-directed phase separation (using metropolis algorithm) in creation of holes. The spinodal dewetting is also criticized on the basis of global minimization of free energy emerging from dipole-quadrupole interactions. A novel molecular scale-driving mechanism coming from asymmetric interface formation in spinodal processes is also proposed. It can be believed that the modeling done with the films under confinement of two walls works as a classical mathematical Ansatz to the dipole-quadrupole interaction coming from quantum origins and giving rise to lateral interactions in the process reflecting a colossal behavior in thin nano films though weak in nature

Spinodal Theory: A Common Rupturing Mechanism in Spinodal Dewetting and Surface Directed Phase Separation (Some Technological Aspects: Spatial Correlations and the Significance of Dipole-Quadrupole Interaction in Spinodal Dewetting

Directory of Open Access Journals (Sweden)

Satya Pal Singh

2011-01-01

Full Text Available The emerging structures in spinodal dewetting of thin nano films and spinodal decomposition of binary mixtures are found to be similar with certain differences attributed to the nonlinearities inherent in the wetting forces. This paper deals with the technological aspects of the spinodal processes by giving a brief account of the theory and to correlate the two phenomena termed as spinodal dewetting of thin nanofilms and surface-directed phase separation. The MC simulation micrographs at early stage of spinodal dewetting of a (linear polymer film confined between two hard walls (using FENE potential between the beads on same chain and Morse potential between inter and intra chain beads show similarities with surface-directed phase separation (using metropolis algorithm in creation of holes. The spinodal dewetting is also criticized on the basis of global minimization of free energy emerging from dipole-quadrupole interactions. A novel molecular scale-driving mechanism coming from asymmetric interface formation in spinodal processes is also proposed. It can be believed that the modeling done with the films under confinement of two walls works as a classical mathematical ansatz to the dipole-quadrupole interaction coming from quantum origins and giving rise to lateral interactions in the process reflecting a colossal behavior in thin nano films though weak in nature.

Heat conduction in diatomic chains with correlated disorder

Science.gov (United States)

Savin, Alexander V.; Zolotarevskiy, Vadim; Gendelman, Oleg V.

2017-01-01

The paper considers heat transport in diatomic one-dimensional lattices, containing equal amounts of particles with different masses. Ordering of the particles in the chain is governed by single correlation parameter - the probability for two neighboring particles to have the same mass. As this parameter grows from zero to unity, the structure of the chain varies from regular staggering chain to completely random configuration, and then - to very long clusters of particles with equal masses. Therefore, this correlation parameter allows a control of typical cluster size in the chain. In order to explore different regimes of the heat transport, two interatomic potentials are considered. The first one is an infinite potential wall, corresponding to instantaneous elastic collisions between the neighboring particles. In homogeneous chains such interaction leads to an anomalous heat transport. The other one is classical Lennard-Jones interatomic potential, which leads to a normal heat transport. The simulations demonstrate that the correlated disorder of the particle arrangement does not change the convergence properties of the heat conduction coefficient, but essentially modifies its value. For the collision potential, one observes essential growth of the coefficient for fixed chain length as the limit of large homogeneous clusters is approached. The thermal transport in these models remains superdiffusive. In the Lennard-Jones chain the effect of correlation appears to be not monotonous in the limit of low temperatures. This behavior stems from the competition between formation of long clusters mentioned above, and Anderson localization close to the staggering ordered state.

Heat conduction in diatomic chains with correlated disorder

Energy Technology Data Exchange (ETDEWEB)

Savin, Alexander V., E-mail: asavin@center.chph.ras.ru [Semenov Institute of Chemical Physics, Russian Academy of Sciences, 4 Kosygin str., 119991 Moscow (Russian Federation); Zolotarevskiy, Vadim; Gendelman, Oleg V. [Faculty of Mechanical Engineering, Technion – Israel Institute of Technology, Haifa 32000 (Israel)

2017-01-23

The paper considers heat transport in diatomic one-dimensional lattices, containing equal amounts of particles with different masses. Ordering of the particles in the chain is governed by single correlation parameter – the probability for two neighboring particles to have the same mass. As this parameter grows from zero to unity, the structure of the chain varies from regular staggering chain to completely random configuration, and then – to very long clusters of particles with equal masses. Therefore, this correlation parameter allows a control of typical cluster size in the chain. In order to explore different regimes of the heat transport, two interatomic potentials are considered. The first one is an infinite potential wall, corresponding to instantaneous elastic collisions between the neighboring particles. In homogeneous chains such interaction leads to an anomalous heat transport. The other one is classical Lennard–Jones interatomic potential, which leads to a normal heat transport. The simulations demonstrate that the correlated disorder of the particle arrangement does not change the convergence properties of the heat conduction coefficient, but essentially modifies its value. For the collision potential, one observes essential growth of the coefficient for fixed chain length as the limit of large homogeneous clusters is approached. The thermal transport in these models remains superdiffusive. In the Lennard–Jones chain the effect of correlation appears to be not monotonous in the limit of low temperatures. This behavior stems from the competition between formation of long clusters mentioned above, and Anderson localization close to the staggering ordered state.

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

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.

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.

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.

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.

NA61/SHINE results on fluctuations and correlations in p+p and Be+Be interactions at CERN SPS energies

CERN Document Server

Mackowiak-Pawlowska, Maja

2016-01-01

The aim of the NA61/SHINE strong interaction program is to explore the phase diagram of strongly interacting matter. The main physics goals are the study of the onset of deconfinement and the search for the critical point of strongly interacting matter. These goals are pursued by performing a beam momentum (13$A$ - 158$A$ GeV/c) and system size (p+p, p+Pb, Be+Be, Ar+Sc, Xe+La) scan. This contribution presents results on transverse momentum and multiplicity fluctuations from the Be+Be and p+p energy scan. Also, results on two-particle correlations in pseudorapidity and azimuthal angle obtained in p+p interactions will be shown. The influence of conservation laws and resonance decays on multiplicity and chemical fluctuations of identified particles in p+p interactions will be discussed. Obtained results will be compared with data from other experiments and with model predictions.

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

Influence of Three-square-well Interaction Potential on Isotope Effect Coefficient of High-TC Superconductors

International Nuclear Information System (INIS)

Udomsamuthirun, P.; Dokkaemklang, S.; Kumvongsa, C.; Maneeratanakul, S.

2005-10-01

In this research, the exact formula of the isotope effect coefficient of s wave and d-wave superconductor in weak-coupling limit are derived by using a three square- well interaction potential that pairing interaction consists of 3 parts : an attractive electron-phonon interaction, an attractive non-electron-phonon interaction , and a repulsive Coulomb interaction . op ac , w w and c w is the characteristic energy cutoff of the Debye phonon , non-phonon ,and Coulomb respectively and 2 / 1 ac M- a w , and c op , w w do not depend on isotope mass(M). We find that, in all case of consideration, the isotope coefficient converges to 0.5 at lower value of Coulomb coupling constant and larger values of phonon and non-phonon coupling constant

Correlation in photodetachment

International Nuclear Information System (INIS)

Pegg, D.J.

1992-01-01

Electron correlation plays a major role in all aspects of the photodetachment of an electron from a negative ion. Photodetachment measurements are well suited to investigate the relatively short range forces associated with correlation due to the absence of the long range Coulomb interaction. Measurements of electron affinities, asymmetry parameters and cross sections are described to illustrate the influence of correlation on photodetachment

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.

[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/.

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

Positronium annihilation in liquids in the framework of non-local interaction

International Nuclear Information System (INIS)

Mukherjee, Tapas; Dutta, Dhanadeep

2012-01-01

In the bubble model of ortho positronium (o-Ps) annihilation in liquid the origin of the trapping of o-Ps is the electron-exchange repulsive interaction between the electron of o-Ps and the electron of the medium. The corresponding effective interaction is non-local in nature. However, in the prevalent bubble model, this effective interaction is usually treated as local (model) potential (sharp or smooth). In the present study, we have taken an approach to consider this trapping interaction as non-local in nature, which is included through a model separable non-local function to tackle the problem in analytically solvable manner. The analytical calculations show that this non-local interaction effectively acts as a gauge potential in the energy of the Ps atom in parameter (bubble radius) space. The computed bubble variables obtained using experimental Ps annihilation data are shown. A comparison between the present data with the calculated results using prevalent bubble model has been presented. Discussions have been made on the input parameter dependencies of the computed data. - Highlights: ► Bubble model has been modified by considering positronium-atom non-local interaction. ► No straight forward correlation between bubble size and effective potential is observed. ► Non-local potential acts as a guage potential.

Effect of depression on processing interactions in group psychotherapy.

Science.gov (United States)

Slife, B D; Sasscer-Burgos, J; Froberg, W; Ellington, S

1989-01-01

Two studies were conducted to investigate the possibility of individual differences in the ability of inpatients to process interactions in group psychotherapy. The first was a pilot study conducted on groups of major depressive patients and matched normal subjects. Subjects were asked to give process comments after viewing simulations of typical group therapy interactions. These comments were later rated on the extent to which they reflected process qualities and accuracy. These data led to a more rigorous and extensive study that included more appropriate control groups as well as measures of potential confounding factors, such as simulation realism, verbal ability, and interaction comprehension. Results indicated that major depressives suffer from deficits in the ability to process group interactions, relative to three types of control groups, including normals. These differences in processing were not significantly positively correlated with any of the potential confounding factors. The implications for understanding interactional processing and group psychotherapy are discussed.

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...

Spin-dependent exciton-exciton interaction potential in two- and three-dimensional structure semiconductors under excitation

International Nuclear Information System (INIS)

Nguyen Ba An; Hoang Ngoc Cam; Nguyen Trung Dan

1990-08-01

Analytical expressions of the exciton-exciton interaction potentials have been approximately derived in both 2D and 3D structure materials exhibiting explicit dependences on exciton momentum difference, momentum transfer, electron-hole effective mass ratio and two-exciton state spin symmetry. Numerical calculations show that the character of the exciton-exciton interaction is determined by all of the above-mentioned dependences. (author). 32 refs, 7 figs

Inclusion of the strong interaction in low-energy hydrogen-antihydrogen scattering using a complex potential

International Nuclear Information System (INIS)

Armour, E A G; Liu, Y; Vigier, A

2005-01-01

The aim of experimentalists currently working on the preparation of antihydrogen is to trap it at very low temperatures so that its properties can be studied. Any process that can lead to loss of antihydrogen is thus of great concern to them. In view of this, we have carried out a calculation of the antiproton annihilation cross section in very low-energy hydrogen-antihydrogen scattering using a complex potential to represent the strong interaction that brings about the annihilation. The potential takes into account the isotopic spin state of the proton and the antiproton and the possibility that they may be in either a singlet or a triplet spin state. The results for the annihilation cross section and the percentage change in the elastic cross section due to the inclusion of the strong interaction are similar to those obtained in a recent calculation (Jonsell et al 2004 J. Phys. B: At. Mol. Opt. Phys. 37 1195), using an effective range expansion. They are smaller by a factor of 2 and 3, respectively, than those obtained in an earlier calculation (Voronin and Carbonell 2001 Nucl. Phys. A 689 529c), using a coupled channel method and a complex strong interaction potential. (letter to the editor)

Correlation in photodetachment

International Nuclear Information System (INIS)

Pegg, D.J.; Tennessee Univ., Knoxville, TN

1991-01-01

Electron correlation plays a major role in all aspects of the photodetachment of an electron from a negative ion. Photodetachment measurements are well suited to investigate the relatively short range forces associated with correlation due to the absence of the long range Coulomb interaction. Measurements of electron affinities, asymmetry parameters and cross sections are described to illustrate the influence of correlation on photodetachment. 25 refs., 4 figs

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