WorldWideScience

Sample records for vibrational correlation functions

  1. Accurate non-Born-Oppenheimer calculations of the complete pure vibrational spectrum of ditritium using all-particle explicitly correlated Gaussian functions

    Science.gov (United States)

    Bubin, Sergiy; Stanke, Monika; Adamowicz, Ludwik

    2014-04-01

    Very accurate variational calculations of the complete pure vibrational spectrum of the ditritium (T2) molecule are performed within the framework where the Born-Oppenheimer approximation is not assumed. After separating out the center-of-mass motion from the total laboratory-frame Hamiltonian, T2 becomes a three-particle problem. States corresponding to the zero total angular momentum, which are pure vibrational states, are spherically symmetric in this framework. The wave functions of these states are expanded in terms of all-particle, one-center, spherically symmetric explicitly correlated Gaussian functions multiplied by even non-negative powers of the internuclear distance. In the calculations the total energies, the dissociation energies, and expectation values of some operators dependent on interparticle distances are determined.

  2. Teager Correlation Function

    DEFF Research Database (Denmark)

    Bysted, Tommy Kristensen; Hamila, R.; Gabbouj, M.

    1998-01-01

    A new correlation function called the Teager correlation function is introduced in this paper. The connection between this function, the Teager energy operator and the conventional correlation function is established. Two applications are presented. The first is the minimization of the Teager error...... norm and the second one is the use of the instantaneous Teager correlation function for simultaneous estimation of TDOA and FDOA (Time and Frequency Difference of Arrivals)....

  3. Vibrations of Damaged Functionally Graded Cantilever Beams

    Science.gov (United States)

    Byrd, Larry W.; Birman, Victor

    2008-02-01

    The paper discusses closed-form solutions of the problems of free and forced vibrations of a functionally graded cantilever FGM beam with and without damage. The mode of damage considered in the paper is represented by cracks that are perpendicular to the axis of the beam. Notably, such mode of damage was observed in experiments on representative FGM beams. Forced vibrations considered in the paper were generated by a kinematic excitation of the clamped end of the beam.

  4. Modeling of vibration for functionally graded beams

    OpenAIRE

    Yiğit Gülsemay; Şahin Ali; Bayram Mustafa

    2016-01-01

    In this study, a vibration problem of Euler-Bernoulli beam manufactured with Functionally Graded Material (FGM), which is modelled by fourth-order partial differential equations with variable coefficients, is examined by using the Adomian Decomposition Method (ADM).The method is one of the useful and powerful methods which can be easily applied to linear and nonlinear initial and boundary value problems. As to functionally graded materials, they are composites mixed by two or more materials a...

  5. Pair Correlation Function Integrals

    DEFF Research Database (Denmark)

    Wedberg, Nils Hejle Rasmus Ingemar; O'Connell, John P.; Peters, Günther H.J.

    2011-01-01

    We describe a method for extending radial distribution functions obtained from molecular simulations of pure and mixed molecular fluids to arbitrary distances. The method allows total correlation function integrals to be reliably calculated from simulations of relatively small systems. The long......-distance behavior of radial distribution functions is determined by requiring that the corresponding direct correlation functions follow certain approximations at long distances. We have briefly described the method and tested its performance in previous communications [R. Wedberg, J. P. O’Connell, G. H. Peters......, and J. Abildskov, Mol. Simul. 36, 1243 (2010); Fluid Phase Equilib. 302, 32 (2011)], but describe here its theoretical basis more thoroughly and derive long-distance approximations for the direct correlation functions. We describe the numerical implementation of the method in detail, and report...

  6. Free Vibration Analysis of Functionally Graded Beams

    OpenAIRE

    Khalane Sanjay Anandrao; R. K. Gupta; P. Ramachandran; G. Venkateswara Rao

    2012-01-01

    Free vibration analysis of functionally graded beams is carried out for various classical boundary conditions. Two separate finite element formulations, one based on Euler-Bernoulli beam theory and other based on Timoshenko beam theory are developed. Principle of virtual work is used to obtain the finite element system of equations. Numerical results are provided to demonstrate the effect of transverse shear on the natural frequencies and mode shapes for different length-to-thickness ratios a...

  7. Quantum correlation dynamics in photosynthetic processes assisted by molecular vibrations

    Energy Technology Data Exchange (ETDEWEB)

    Giorgi, G.L., E-mail: g.giorgi@inrim.it [INRIM, Strada delle Cacce 91, I-10135 Torino (Italy); Roncaglia, M. [INRIM, Strada delle Cacce 91, I-10135 Torino (Italy); Raffa, F.A. [Politecnico di Torino, Dipartimento di Scienza Applicata e Tecnologia, Corso Duca degli Abruzzi 24, I-10129 Torino (Italy); Genovese, M. [INRIM, Strada delle Cacce 91, I-10135 Torino (Italy)

    2015-10-15

    During the long course of evolution, nature has learnt how to exploit quantum effects. In fact, recent experiments reveal the existence of quantum processes whose coherence extends over unexpectedly long time and space ranges. In particular, photosynthetic processes in light-harvesting complexes display a typical oscillatory dynamics ascribed to quantum coherence. Here, we consider the simple model where a dimer made of two chromophores is strongly coupled with a quasi-resonant vibrational mode. We observe the occurrence of wide oscillations of genuine quantum correlations, between electronic excitations and the environment, represented by vibrational bosonic modes. Such a quantum dynamics has been unveiled through the calculation of the negativity of entanglement and the discord, indicators widely used in quantum information for quantifying the resources needed to realize quantum technologies. We also discuss the possibility of approximating additional weakly-coupled off-resonant vibrational modes, simulating the disturbances induced by the rest of the environment, by a single vibrational mode. Within this approximation, one can show that the off-resonant bath behaves like a classical source of noise.

  8. Hexagonalization of correlation functions

    Energy Technology Data Exchange (ETDEWEB)

    Fleury, Thiago [Instituto de Física Teórica, UNESP - University Estadual Paulista,ICTP South American Institute for Fundamental Research,Rua Dr. Bento Teobaldo Ferraz 271, 01140-070, São Paulo, SP (Brazil); Komatsu, Shota [Perimeter Institute for Theoretical Physics,31 Caroline St N Waterloo, Ontario N2L 2Y5 (Canada)

    2017-01-30

    We propose a nonperturbative framework to study general correlation functions of single-trace operators in N=4 supersymmetric Yang-Mills theory at large N. The basic strategy is to decompose them into fundamental building blocks called the hexagon form factors, which were introduced earlier to study structure constants using integrability. The decomposition is akin to a triangulation of a Riemann surface, and we thus call it hexagonalization. We propose a set of rules to glue the hexagons together based on symmetry, which naturally incorporate the dependence on the conformal and the R-symmetry cross ratios. Our method is conceptually different from the conventional operator product expansion and automatically takes into account multi-trace operators exchanged in OPE channels. To illustrate the idea in simple set-ups, we compute four-point functions of BPS operators of arbitrary lengths and correlation functions of one Konishi operator and three short BPS operators, all at one loop. In all cases, the results are in perfect agreement with the perturbative data. We also suggest that our method can be a useful tool to study conformal integrals, and show it explicitly for the case of ladder integrals.

  9. Long-range vibration sensor based on correlation analysis of optical frequency-domain reflectometry signals.

    Science.gov (United States)

    Ding, Zhenyang; Yao, X Steve; Liu, Tiegen; Du, Yang; Liu, Kun; Han, Qun; Meng, Zhuo; Chen, Hongxin

    2012-12-17

    We present a novel method to achieve a space-resolved long- range vibration detection system based on the correlation analysis of the optical frequency-domain reflectometry (OFDR) signals. By performing two separate measurements of the vibrated and non-vibrated states on a test fiber, the vibration frequency and position of a vibration event can be obtained by analyzing the cross-correlation between beat signals of the vibrated and non-vibrated states in a spatial domain, where the beat signals are generated from interferences between local Rayleigh backscattering signals of the test fiber and local light oscillator. Using the proposed technique, we constructed a standard single-mode fiber based vibration sensor that can have a dynamic range of 12 km and a measurable vibration frequency up to 2 kHz with a spatial resolution of 5 m. Moreover, preliminarily investigation results of two vibration events located at different positions along the test fiber are also reported.

  10. Correlation of operating parameters on turbine shaft vibrations

    Science.gov (United States)

    Dixit, Harsh Kumar; Rajora, Rajeev

    2016-05-01

    The new generation of condition monitoring and diagnostics system plays an important role in efficient functioning of power plants. In most of the rotating machine, defects can be detected by such a system much before dangerous situation occurs. It allows the efficient use of stationary on-line continuous monitoring system for condition monitoring and diagnostics as well. Condition monitoring of turbine shaft can not only reduce expenses of maintenance of turbo generator of power plants but also prevents likely shutdown of plant, thereby increases plant load factor. Turbo visionary parameters are essential part of health diagnosis system of turbo generator. Particularly steam pressure, steam temperature and lube oil temperature are important parameters to monitor because they are having much influence on turbine shaft vibration and also governing systems are available for change values of those parameters. This paper includes influence of turbo visionary parameters i.e., steam temperature, steam pressure, lube oil temperature, turbine speed and load on turbine shaft vibration at turbo generator at 195 MW unit-6,Kota Super Thermal Power Station by measuring vibration amplitude and analyze them in MATLAB.

  11. Function generator for synthesizing complex vibration mode patterns

    Science.gov (United States)

    Naumann, E. C.; Hagood, G. J., Jr. (Inventor)

    1973-01-01

    A simple highly flexible device for synthesizing complex vibration mode patterns is described. These mode patterns can be used to identify vibration mode data. This device sums selected sine and cosine functions and then plots the sum against a linear function.

  12. Vibration Analysis using 3D Image Correlation Technique

    Directory of Open Access Journals (Sweden)

    Splitthof K.

    2010-06-01

    Full Text Available Digital speckle correlation techniques have already been successfully proven to be an accurate displacement analysis tool for a wide range of applications. With the use of two cameras, three dimensional measurements of contours and displacements can be carried out. With a simple setup it opens a wide range of applications. Rapid new developments in the field of digital imaging and computer technology opens further applications for these measurement methods to high speed deformation and strain analysis, e.g. in the fields of material testing, fracture mechanics, advanced materials and component testing. The high resolution of the deformation measurements in space and time opens a wide range of applications for vibration analysis of objects. Since the system determines the absolute position and displacements of the object in space, it is capable of measuring high amplitudes and even objects with rigid body movements. The absolute resolution depends on the field of view and is scalable. Calibration of the optical setup is a crucial point which will be discussed in detail. Examples of the analysis of harmonic vibration and transient events from material research and industrial applications are presented. The results show typical features of the system.

  13. The projected pattern correlation technique for vibration measurements

    Science.gov (United States)

    Konrath, R.; Klinge, F.; Schroeder, A.; Kompenhans, Juergen; Fuellekrug, U.

    2004-06-01

    The objective of this paper is the description of the Projected Pattern Correlation method for measuring surface velocities and to present results of a feasibility study. Similar to the Moire technique the local surface velocities of a large area are determined simultaneously, which replace a time consuming point wise scanning as it is necessary in e.g. Laser Doppler Vibrometry. Furthermore, the dynamics of non-periodic processes can be resolved temporally and spatially. In difference to the Moire or grid projection techniques the evaluation step is fast (real-time measurements are possible) more robust and provides a high spatial resolution. The measurement precision is assessed using a simple test arrangement. Vibration measurements are performed on a satellite model structure and a honeycomb sandwich plate.

  14. Correlation of finite element free vibration predictions using random vibration test data. M.S. Thesis - Cleveland State Univ.

    Science.gov (United States)

    Chambers, Jeffrey A.

    1994-01-01

    Finite element analysis is regularly used during the engineering cycle of mechanical systems to predict the response to static, thermal, and dynamic loads. The finite element model (FEM) used to represent the system is often correlated with physical test results to determine the validity of analytical results provided. Results from dynamic testing provide one means for performing this correlation. One of the most common methods of measuring accuracy is by classical modal testing, whereby vibratory mode shapes are compared to mode shapes provided by finite element analysis. The degree of correlation between the test and analytical mode shapes can be shown mathematically using the cross orthogonality check. A great deal of time and effort can be exhausted in generating the set of test acquired mode shapes needed for the cross orthogonality check. In most situations response data from vibration tests are digitally processed to generate the mode shapes from a combination of modal parameters, forcing functions, and recorded response data. An alternate method is proposed in which the same correlation of analytical and test acquired mode shapes can be achieved without conducting the modal survey. Instead a procedure is detailed in which a minimum of test information, specifically the acceleration response data from a random vibration test, is used to generate a set of equivalent local accelerations to be applied to the reduced analytical model at discrete points corresponding to the test measurement locations. The static solution of the analytical model then produces a set of deformations that once normalized can be used to represent the test acquired mode shapes in the cross orthogonality relation. The method proposed has been shown to provide accurate results for both a simple analytical model as well as a complex space flight structure.

  15. A Method for Vibration-Based Structural Interrogation and Health Monitoring Based on Signal Cross-Correlation

    Energy Technology Data Exchange (ETDEWEB)

    Trendafilova, I, E-mail: Irina.Trendafilova@strath.ac.uk [Department of Mechanical Engineering, University of Strathclyde, 75 Montrose street, Glasgow, G1 1XJ (United Kingdom)

    2011-07-19

    Vibration-based structural interrogation and health monitoring is a field which is concerned with the estimation of the current state of a structure or a component from its vibration response with regards to its ability to perform its intended function appropriately. One way to approach this problem is through damage features extracted from the measured structural vibration response. This paper suggests to use a new concept for the purposes of vibration-based health monitoring. The correlation between two signals, an input and an output, measured on the structure is used to develop a damage indicator. The paper investigates the applicability of the signal cross-correlation and a nonlinear alternative, the average mutual information between the two signals, for the purposes of structural health monitoring and damage assessment. The suggested methodology is applied and demonstrated for delamination detection in a composite beam.

  16. Relationship between bond-breakage correlations and four-point correlations in heterogeneous glassy dynamics: configuration changes and vibration modes.

    Science.gov (United States)

    Shiba, Hayato; Kawasaki, Takeshi; Onuki, Akira

    2012-10-01

    We investigate the dynamic heterogeneities of glassy particle systems in the theoretical schemes of bond breakage and four-point correlation functions. In the bond-breakage scheme, we introduce the structure factor S(b)(q,t) and the susceptibility χ(b)(t) to detect the spatial correlations of configuration changes. Here χ(b)(t) attains a maximum at t=t(b)(max) as a function of time t, where the fraction of the particles with broken bonds φ(b)(t) is about 1/2. In the four-point scheme, treating the structure factor S(4)(q,t) and the susceptibility χ(4)(t), we detect superpositions of the heterogeneity of bond breakage and that of thermal low-frequency vibration modes. While the former grows slowly, the latter emerges quickly to exhibit complex space-time behavior. In two dimensions, the vibration modes extending over the system yield significant contributions to the four-point correlations, which depend on the system size logarithmically. A maximum of χ(4)(t) is attained at t=t(4)(max), where these two contributions become of the same order. As a result, t(4)(max) is considerably shorter than t(b)(max).

  17. Non-stationary random vibration analysis of structures under multiple correlated normal random excitations

    Science.gov (United States)

    Li, Yanbin; Mulani, Sameer B.; Kapania, Rakesh K.; Fei, Qingguo; Wu, Shaoqing

    2017-07-01

    An algorithm that integrates Karhunen-Loeve expansion (KLE) and the finite element method (FEM) is proposed to perform non-stationary random vibration analysis of structures under excitations, represented by multiple random processes that are correlated in both time and spatial domains. In KLE, the auto-covariance functions of random excitations are discretized using orthogonal basis functions. The KLE for multiple correlated random excitations relies on expansions in terms of correlated sets of random variables reflecting the cross-covariance of the random processes. During the response calculations, the eigenfunctions of KLE used to represent excitations are applied as forcing functions to the structure. The proposed algorithm is applied to a 2DOF system, a 2D cantilever beam and a 3D aircraft wing under both stationary and non-stationary correlated random excitations. Two methods are adopted to obtain the structural responses: a) the modal method and b) the direct method. Both the methods provide the statistics of the dynamic response with sufficient accuracy. The structural responses under the same type of correlated random excitations are bounded by the response obtained by perfectly correlated and uncorrelated random excitations. The structural response increases with a decrease in the correlation length and with an increase in the correlation magnitude. The proposed methodology can be applied for the analysis of any complex structure under any type of random excitation.

  18. Modal simulation of gearbox vibration with experimental correlation

    Science.gov (United States)

    Choy, Fred K.; Ruan, Yeefeng F.; Zakrajsek, James J.; Oswald, Fred B.

    1992-01-01

    A newly developed global dynamic model was used to simulate the dynamics of a gear noise rig at NASA Lewis Research Center. Experimental results from the test rig were used to verify the analytical model. In this global dynamic model, the number of degrees of freedom of the system are reduced by transforming the system equations of motion into modal coordinates. The vibration of the individual gear-shaft system are coupled through the gear mesh forces. A three-dimensional, axial-lateral coupled, bearing model was used to couple the casing structural vibration to the gear-rotor dynamics. The coupled system of modal equations is solved to predict the resulting vibration at several locations on the test rig. Experimental vibration data was compared to the predicitions of the global dynamic model. There is excellent agreement between the vibration results from analysis and experiment.

  19. Correlation Functions and Power Spectra

    DEFF Research Database (Denmark)

    Larsen, Jan

    2006-01-01

    The present lecture note is a supplement to the textbook Digital Signal Processing by J. Proakis and D.G. Manolakis used in the IMM/DTU course 02451 Digital Signal Processing and provides an extended discussion of correlation functions and power spectra. The definitions of correlation functions...

  20. Statistical correlation analysis for comparing vibration data from test and analysis

    Science.gov (United States)

    Butler, T. G.; Strang, R. F.; Purves, L. R.; Hershfeld, D. J.

    1986-01-01

    A theory was developed to compare vibration modes obtained by NASTRAN analysis with those obtained experimentally. Because many more analytical modes can be obtained than experimental modes, the analytical set was treated as expansion functions for putting both sources in comparative form. The dimensional symmetry was developed for three general cases: nonsymmetric whole model compared with a nonsymmetric whole structural test, symmetric analytical portion compared with a symmetric experimental portion, and analytical symmetric portion with a whole experimental test. The theory was coded and a statistical correlation program was installed as a utility. The theory is established with small classical structures.

  1. Vibration-induced PM Noise in Oscillators and Measurements of Correlation with Vibration Sensors

    National Research Council Canada - National Science Library

    Howe, D. A; LanFranchi, J. L; Cutsinger, L; Hati, A; Nelson, C

    2005-01-01

    ...) and acceleration/vibration sensors. We describe the equipment setup and measurement procedure. Data are in the form of scatter plots, which we find to be highly informative compared to usual L(f...

  2. Nonlinear vibration of edge cracked functionally graded Timoshenko beams

    Science.gov (United States)

    Kitipornchai, S.; Ke, L. L.; Yang, J.; Xiang, Y.

    2009-07-01

    Nonlinear vibration of beams made of functionally graded materials (FGMs) containing an open edge crack is studied in this paper based on Timoshenko beam theory and von Kármán geometric nonlinearity. The cracked section is modeled by a massless elastic rotational spring. It is assumed that material properties follow exponential distributions through beam thickness. The Ritz method is employed to derive the governing eigenvalue equation which is then solved by a direct iterative method to obtain the nonlinear vibration frequencies of cracked FGM beams with different end supports. A detailed parametric study is conducted to study the influences of crack depth, crack location, material property gradient, slenderness ratio, and end supports on the nonlinear free vibration characteristics of cracked FGM beams. It is found that unlike isotropic homogeneous beams, both intact and cracked FGM beams show different vibration behavior at positive and negative amplitudes due to the presence of bending-extension coupling in FGM beams.

  3. Correlation functions in quantum gravity

    Energy Technology Data Exchange (ETDEWEB)

    Gies, Holger; Knorr, Benjamin; Lippoldt, Stefan [Theoretisch-Physikalisches Institut, Friedrich-Schiller-Universitaet Jena (Germany)

    2016-07-01

    We present some aspects of non-perturbative correlation functions of quantum gravity. In particular, the influence of curvature on gravitational correlations is investigated. Possible future applications of this include, e.g., genuine quantum gravity effects in black hole physics and gravitational waves.

  4. Density functional theory study of vibrational spectra, and ...

    Indian Academy of Sciences (India)

    WINTEC

    315. *For correspondence. Density functional theory study of vibrational spectra, and assignment of fundamental modes of ... FTIR; FT-Raman; density functional theory; dacarbazine. 1. Introduction. Dacarbazine, used as antineoplastic in ...... molecules (London: Chapman and Hall) vol 2. 18. Wiberg K B and Sharke A 1973 ...

  5. Correlation functions on conical defects

    CERN Document Server

    Smolkin, Michael

    2015-01-01

    We explore the new technique developed recently in \\cite{Rosenhaus:2014woa} and suggest a correspondence between the $N$-point correlation functions on spacetime with conical defects and the $(N+1)$-point correlation functions in regular Minkowski spacetime. This correspondence suggests a new systematic way to evaluate the correlation functions on spacetimes with conical defects. We check the correspondence for the expectation value of a scalar operator and of the energy momentum tensor in a conformal field theory and obtain the exact agreement with the earlier derivations for cosmic string spacetime. We then use this correspondence and do the computations for a generic scalar operator and a conserved vector current. For generic unitary field theory we compute the expectation value of the energy momentum tensor using the known spectral representation of the $2$-point correlators of stress-energy tensor in Minkowski spacetime.

  6. Free Vibration Analysis of Multiple Cracked Functionally Graded Timoshenko Beams

    Directory of Open Access Journals (Sweden)

    Tran Van Lien

    Full Text Available Abstract In this paper, authors present the study of free vibration of bending multiple cracked functionally graded material (FGM beam. Vibration equations of multiple cracked FGM beam were established by using the rotational spring model of cracks, dynamic stiffness method (DSM and actual position of neutral plane. The frequency equation obtained was in a simple form, that provides an effective approach to study not only free vibration of the beams but also inverse problems like identification of material and crack parameters in structure. The obtained numerical results show good agreement with other previous published results. Thence, numerical computation has been carried out to investigate the effect of each crack, the number of cracks, material and geometric parameters on the natural frequencies of multiple cracked Timoshenko FGM beams.

  7. A Summary Review of Correlations between Temperatures and Vibration Properties of Long-Span Bridges

    Directory of Open Access Journals (Sweden)

    Guang-Dong Zhou

    2014-01-01

    Full Text Available The shift of modal parameters induced by temperature fluctuation may mask the changes of vibration properties caused by structural damage and result in false structural condition identification. Thoroughly understanding the temperature effects on vibration properties of long-span bridges becomes an especially important issue before vibration-based damage detection methodologies are applied in real bridges. This paper presents an overview of current research activities and developments in the field of correlations between temperatures and vibration properties of long-span bridges. The theoretical derivation methods using classical structural dynamics and closed-form formulations are first briefly introduced. Then the trend analysis methods that are intended to extract the degree of variability in vibration property under temperature variation for different bridges by numerical analysis, laboratory test, or field monitoring are reviewed in detail. Following that, the development of quantitative models to quantify the temperature influence on vibration properties is discussed including the linear model, nonlinear model, and learning model. Finally, some promising research efforts for promoting the study of correlations between temperatures and vibration properties of long-span bridges are suggested.

  8. Dataset for paper "The effect of track load correlation on ground-borne vibration from railways"

    OpenAIRE

    Ntotsios, Evangelos; Thompson, David; Hussein, M.F.M.

    2017-01-01

    Dataset for paper "The effect of track load correlation on ground-borne vibration from railways" Authors: Evangelos Ntotsios, David Thompson, Mohammed Hussein Journal of Sound and Vibration Accepted: 02 May 2017Licenses or restrictions placed on the data: Creative Commons Attribution 4.0 File "FigureData.xlsx" contains all data contained in the graphs of the paper. One page is added per figure. Format: Microsoft Excel

  9. Investigation of the correlation between noise and vibration characteristics and unsteady flow in a circulator pump

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Denghao; Ren, Yun; Mou, Jiegang; Gu, Yunqing [Zhejiang University of Technology, Hangzhou (China)

    2017-05-15

    Circulator pumps have wide engineering applications but the acoustics, vibration and unsteady flow structures of the circulator pump are still not fully understood. We investigated the noise and vibration characteristics and unsteady flow structures in a circulator pump at different flow rates. Three-dimensional, unsteady RANS equations were solved on high-quality structured meshes with SST k-ω turbulence model numerically. Measurements were made in a semi-anechoic chamber to get an overview of noise and vibration level of a pump at different flow rates. The 1/3 octave-band filter technique was applied to obtain the explicit frequency spectra of sound, pressure fluctuations and vibration signals and their principal frequencies were identified successfully. The air-borne noise level of the designed condition is lower than that of the off-design conditions, and the highest sound pressure level is found at part-load condition. The acoustic emission from the pump is mainly caused by unsteady flow structures and pressure fluctuations. In addition, both the link between air- borne noise and pressure fluctuation, and the correlation between vibration and unsteady hydrodynamic forces, were quantitatively examined and verified. This work offers good data to understand noise and vibration characteristics of circulator pumps and the relationships among the noise, vibration and unsteady flow structures.

  10. Correction of vibration for classical free-fall gravimeters with correlation-analysis

    Science.gov (United States)

    Wang, G.; Hu, H.; Wu, K.; Wang, L. J.

    2017-03-01

    In a free-fall absolute gravimeter, a laser interferometer is used to track the falling retro-reflector. To buffer the reference retro-reflector from seismic noise, a low-frequency vertical vibration isolator is traditionally used. However, an isolation device is usually complicated and expensive. A strap-down system using a seismometer to record the vibration and correct the measurement resolves the issue, but the actual recorded vibration cannot be directly used because of signal transfer delay and amplitude attenuation. Nevertheless, by quadratically fitting the trajectory of the falling retro-reflector and the motion of the reference retro-reflector, we find that their residuals are significantly correlated. Moreover, the transfer delay and the amplitude attenuation can be calculated using correlation analysis. With this capability, a vibration correction method for absolute gravimeters is proposed and demonstrated. The transfer delay and the gain attenuation are determined from data of only 25 drops, and can be used to correct subsequent measurements. The method is also applied in the T-1 absolute gravimeter. The standard deviation of the measurement results is improved by a factor of 20 after correction in a noisy environment, and improved by a factor of 5 in a quiet environment. Compared with vibration isolators, the strap-down system using this correction method is much more compact, enabling its use in field conditions or even dynamic environments not suitable for vibration isolators.

  11. Vibrational absorption spectra from vibrational coupled cluster damped linear response functions calculated using an asymmetric Lanczos algorithm

    DEFF Research Database (Denmark)

    Thomsen, Bo; Hansen, Mikkel Bo; Seidler, Peter

    2012-01-01

    We report the theory and implementation of vibrational coupled cluster (VCC) damped response functions. From the imaginary part of the damped VCC response function the absorption as function of frequency can be obtained, requiring formally the solution of the now complex VCC response equations. T...

  12. Correlation of AH-1G airframe flight vibration data with a coupled rotor-fuselage analysis

    Science.gov (United States)

    Sangha, K.; Shamie, J.

    1990-01-01

    The formulation and features of the Rotor-Airframe Comprehensive Analysis Program (RACAP) is described. The analysis employs a frequency domain, transfer matrix approach for the blade structural model, a time domain wake or momentum theory aerodynamic model, and impedance matching for rotor-fuselage coupling. The analysis is applied to the AH-1G helicopter, and a correlation study is conducted on fuselage vibration predictions. The purpose of the study is to evaluate the state-of-the-art in helicopter fuselage vibration prediction technology. The fuselage vibration predicted using RACAP are fairly good in the vertical direction and somewhat deficient in the lateral/longitudinal directions. Some of these deficiencies are traced to the fuselage finite element model.

  13. Free vibration of symmetric and sigmoid functionally graded nanobeams

    Science.gov (United States)

    Hamed, M. A.; Eltaher, M. A.; Sadoun, A. M.; Almitani, K. H.

    2016-09-01

    The objective of this paper was the investigation of vibration characteristics of both nonlinear symmetric power and sigmoid functionally graded nonlocal nanobeams. The volume fractions of metal and ceramic are assumed to be distributed through a beam thickness by sigmoid law distribution and symmetric power function. Structures with symmetric distribution with mid-plane such as ceramic-metal-ceramic and metal-ceramic-metal are proposed. Nonlocal differential Eringen's elasticity is exploited to incorporate size dependency of nanobeam. The kinematic relations of Euler-Bernoulli beam are proposed, with the assumption of a small strain. A nonlocal equation of motion of nanobeam is derived by using principle of virtual work and then discretized by finite element method to obtain numerical solution. Numerical results show the effects of the function distribution, gradient index and nonlocal parameter on natural frequencies of macro- and nanobeam. This model is helpful in the mechanical design of nanoelectromechanical systems manufactured from FGM.

  14. Correlation between vibration amplitude and tool wear in turning: Numerical and experimental analysis

    Directory of Open Access Journals (Sweden)

    Balla Srinivasa Prasad

    2017-02-01

    Full Text Available In this paper, a correlation between vibration amplitude and tool wear when in dry turning of AISI 4140 steel using uncoated carbide insert DNMA 432 is analyzed via experiments and finite element simulations. 3D Finite element simulations results are utilized to predict the evolution of cutting forces, vibration displacement amplitudes and tool wear in vibration induced turning. In the present paper, the primary concern is to find the relative vibration and tool wear with the variation of process parameters. These changes lead to accelerated tool wear and even breakage. The cutting forces in the feed direction are also predicted and compared with the experimental trends. A laser Doppler vibrometer is used to detect vibration amplitudes and the usage of Kistler 9272 dynamometer for recording the cutting forces during the cutting process is well demonstrated. A sincere effort is put to investigate the influence of spindle speed, feed rate, depth of cut on vibration amplitude and tool flank wear at different levels of workpiece hardness. Empirical models have been developed using second order polynomial equations for correlating the interaction and higher order influences of various process parameters. Analysis of variance (ANOVA is carried out to identify the significant factors that are affecting the vibration amplitude and tool flank wear. Response surface methodology (RSM is implemented to investigate the progression of flank wear and displacement amplitude based on experimental data. While measuring the displacement amplitude, R-square values for experimental and numerical methods are 98.6 and 97.8. Based on the R-square values of ANOVA it is found that the numerical values show good agreement with the experimental values and are helpful in estimating displacement amplitude. In the case of predicting the tool wear, R-square values were found to be 97.69 and 96.08, respectively for numerical and experimental measures while determining the tool

  15. Vibrational spectroscopy and density functional theory study of ninhydrin

    Science.gov (United States)

    Li, Ran; Sui, Huimin; Liu, Peipie; Chen, Lei; Cheng, Jianbo; Zhao, Bing

    2015-02-01

    In this paper, ninhydrin was designed as a model molecule for theoretical and experimental studies of the molecule structure. Density functional theory (DFT) calculations have been performed to predict the IR and Raman spectra for the molecule. In addition, Fourier transform infrared (FTIR) and Raman spectra of the compound have been obtained experimentally. Based on the modeling results obtained at the B3LYP/6-311++G** level, all FTIR and Raman bands of the compound obtained experimentally were assigned. Our calculated vibrational frequencies are in good agreement with the experimental values. The molecular electrostatic potential surface calculation was performed and the result suggested that the ninhydrin had two potential hydrogen bond donors and four potential hydrogen bond acceptors. HOMO-LUMO gap was also obtained theoretically at B3LYP/6-311++G** level.

  16. Correlating the motion of electrons and nuclei with two-dimensional electronic-vibrational spectroscopy.

    Science.gov (United States)

    Oliver, Thomas A A; Lewis, Nicholas H C; Fleming, Graham R

    2014-07-15

    Multidimensional nonlinear spectroscopy, in the electronic and vibrational regimes, has reached maturity. To date, no experimental technique has combined the advantages of 2D electronic spectroscopy and 2D infrared spectroscopy, monitoring the evolution of the electronic and nuclear degrees of freedom simultaneously. The interplay and coupling between the electronic state and vibrational manifold is fundamental to understanding ensuing nonradiative pathways, especially those that involve conical intersections. We have developed a new experimental technique that is capable of correlating the electronic and vibrational degrees of freedom: 2D electronic-vibrational spectroscopy (2D-EV). We apply this new technique to the study of the 4-(di-cyanomethylene)-2-methyl-6-p-(dimethylamino)styryl-4H-pyran (DCM) laser dye in deuterated dimethyl sulfoxide and its excited state relaxation pathways. From 2D-EV spectra, we elucidate a ballistic mechanism on the excited state potential energy surface whereby molecules are almost instantaneously projected uphill in energy toward a transition state between locally excited and charge-transfer states, as evidenced by a rapid blue shift on the electronic axis of our 2D-EV spectra. The change in minimum energy structure in this excited state nonradiative crossing is evident as the central frequency of a specific vibrational mode changes on a many-picoseconds timescale. The underlying electronic dynamics, which occur on the hundreds of femtoseconds timescale, drive the far slower ensuing nuclear motions on the excited state potential surface, and serve as a excellent illustration for the unprecedented detail that 2D-EV will afford to photochemical reaction dynamics.

  17. The effect of track load correlation on ground-borne vibration from railways

    Science.gov (United States)

    Ntotsios, Evangelos; Thompson, David; Hussein, Mohammed

    2017-08-01

    In predictions of ground-borne vibration from railways, it is generally assumed that the unevenness profile of the wheel and rail is fully correlated between the two rails and the two wheels of an axle. This leads to identical contact forces at the two rails and can allow further simplifications of the vehicle model, the track model and the track/ground interface conditions. In the present paper, the level of correlation of the track loading at the wheel/rail interface due to rail unevenness and its influence on predictions of ground vibration is investigated. The extent to which the unevenness of the two rails is correlated has been estimated from measurements of track geometry obtained with track recording vehicles for four different tracks. It was found that for wavelengths longer than about 3 m the unevenness of the two rails can be considered to be strongly correlated and in phase. To investigate the effect of this on ground vibration, an existing model expressed in the wavenumber-frequency domain is extended to include separate inputs on the two rails. The track is modelled as an infinite invariant linear structure resting on an elastic stratified half-space. This is excited by the gravitational loading of a passing train and the irregularity of the contact surfaces between the wheels and the rails. The railway model is developed in this work to be versatile so that it can account or discard the effect of load correlations on the two rails beside the effects of variation of the tractions across the width of the track-ground interface and the vehicle sprung mass, as well as the roll motion of the sleepers and the axle. A comparative analysis is carried out on the influence of these factors on the response predictions using numerical simulations. It is shown that, when determining the vibration in the free field, it is important to include in the model the traction variation across the track-ground interface and the non-symmetrical loading at the two rails that

  18. Vibrational two-dimensional correlation spectroscopy (2DCOS) study of proteins

    Science.gov (United States)

    Noda, Isao

    2017-12-01

    A tutorial is provided for the generalized two-dimensional correlation spectroscopy (2DCOS), which is applicable to the vibrational spectroscopic study of proteins and related systems. In 2DCOS, similarity or dissimilarity among variations of spectroscopic intensities, which are induced by applying an external perturbation to the sample, is examined by constructing correlation spectra defined by two independent spectral variable axes. By spreading congested or overlapped peaks along the second dimension, apparent spectral resolution is enhanced and interpretation of complex spectra becomes simplified. A set of simple rules for the intensities and signs of correlation peaks is used to extract insightful information. Simulated IR spectra for a model protein are used to demonstrate the specific utility of 2DCOS. Additional tools useful in the 2DCOS analysis of proteins, such as data segmentation assisted with moving-window analysis, 2D codistribution analysis, Pareto scaling, and null-space projection are also discussed.

  19. Imaging study of vibrational predissociation of the HCl-acetylene dimer: pair-correlated distributions.

    Science.gov (United States)

    Li, Guosheng; Parr, Jessica; Fedorov, Igor; Reisler, Hanna

    2006-07-07

    The state-to-state predissociation dynamics of the HCl-acetylene dimer were studied following excitation in the asymmetric C-H (asym-CH) stretch and the HCl stretch. Velocity map imaging (VMI) and resonance enhanced multiphoton ionization (REMPI) were used to determine pair-correlated product energy distributions. Different vibrational predissociation mechanisms were observed for the two excited vibrational levels. Following excitation in the of the asym-CH stretch fundamental, HCl fragments in upsilon = 0 and j = 4-7 were observed and no HCl in upsilon = 1 was detected. The fragments' center-of-mass (c.m.) translational energy distributions were derived from images of HCl (j = 4-7), and were converted to rotational state distributions of the acetylene co-fragment by assuming that acetylene is generated with one quantum of C-C stretch (nu(2)) excitation. The acetylene pair-correlated rotational state distributions agree with the predictions of the statistical phase space theory, restricted to acetylene fragments in 1nu(2). It is concluded that the predissociation mechanism is dominated by the initial coupling of the asym-CH vibration to a combination of C-C stretch and bending modes in the acetylene moiety. Vibrational energy redistribution (IVR) between acetylene bending and the intermolecular dimer modes leads to predissociation that preserves the C-C stretch excitation in the acetylene product while distributing the rest of the available energy statistically. The predissociation mechanism following excitation in the Q band of the dimer's HCl stretch fundamental was quite different. HCl (upsilon = 0) rotational states up to j = 8 were observed. The rovibrational state distributions in the acetylene co-fragment derived from HCl (j = 6-8) images were non-statistical with one or two quanta in acetylene bending vibrational excitation. From the observation that all the HCl(j) translational energy distributions were similar, it is proposed that there exists a

  20. From correlation functions to event shapes

    CERN Document Server

    Belitsky, A V; Korchemsky, G P; Sokatchev, E; Zhiboedov, A

    2014-01-01

    We present a new approach to computing event shape distributions or, more precisely, charge flow correlations in a generic conformal field theory (CFT). These infrared finite observables are familiar from collider physics studies and describe the angular distribution of global charges in outgoing radiation created from the vacuum by some source. The charge flow correlations can be expressed in terms of Wightman correlation functions in a certain limit. We explain how to compute these quantities starting from their Euclidean analogues by means of a non-trivial analytic continuation which, in the framework of CFT, can elegantly be performed in Mellin space. The relation between the charge flow correlations and Euclidean correlation functions can be reformulated directly in configuration space, bypassing the Mellin representation, as a certain Lorentzian double discontinuity of the correlation function integrated along the cuts. We illustrate the general formalism in N=4 SYM, making use of the well-known results...

  1. Wavelet Correlation Feature Scale Entropy and Fuzzy Support Vector Machine Approach for Aeroengine Whole-Body Vibration Fault Diagnosis

    Directory of Open Access Journals (Sweden)

    Cheng-Wei Fei

    2013-01-01

    Full Text Available In order to correctly analyze aeroengine whole-body vibration signals, Wavelet Correlation Feature Scale Entropy (WCFSE and Fuzzy Support Vector Machine (FSVM (WCFSE-FSVM method was proposed by fusing the advantages of the WCFSE method and the FSVM method. The wavelet coefficients were known to be located in high Signal-to-Noise Ratio (S/N or SNR scales and were obtained by the Wavelet Transform Correlation Filter Method (WTCFM. This method was applied to address the whole-body vibration signals. The WCFSE method was derived from the integration of the information entropy theory and WTCFM, and was applied to extract the WCFSE values of the vibration signals. Among the WCFSE values, the WFSE1 and WCFSE2 values on the scale 1 and 2 from the high band of vibration signal were believed to acceptably reflect the vibration feature and were selected to construct the eigenvectors of vibration signals as fault samples to establish the WCFSE-FSVM model. This model was applied to aeroengine whole-body vibration fault diagnosis. Through the diagnoses of four vibration fault modes and the comparison of the analysis results by four methods (SVM, FSVM, WESE-SVM, WCFSE-FSVM, it is shown that the WCFSE-FSVM method is characterized by higher learning ability, higher generalization ability and higher anti-noise ability than other methods in aeroengine whole-vibration fault analysis. Meanwhile, this present study provides a useful insight for the vibration fault diagnosis of complex machinery besides an aeroengine.

  2. Bootstrapping correlation functions in N=4 SYM

    CERN Document Server

    Chicherin, Dmitry; Eden, Burkhard; Heslop, Paul; Korchemsky, Gregory P; Sokatchev, Emery

    2016-01-01

    We describe a new approach to computing the chiral part of correlation functions of stress-tensor supermultiplets in N=4 SYM that relies on symmetries, analytic properties and the structure of the OPE only. We demonstrate that the correlation functions are given by a linear combination of chiral N=4 superconformal invariants accompanied by coefficient functions depending on the space-time coordinates only. We present the explicit construction of these invariants and show that the six-point correlation function is fixed in the Born approximation up to four constant coefficients by its symmetries. In addition, the known asymptotic structure of the correlation function in the light-like limit fixes unambiguously these coefficients up to an overall normalization. We demonstrate that the same approach can be applied to obtain a representation for the six-point NMHV amplitude that is free from any auxiliary gauge fixing parameters, does not involve spurious poles and manifests half of the dual superconformal symmet...

  3. Full-field Measurement of Deformation and Vibration using Digital Image Correlation

    Directory of Open Access Journals (Sweden)

    Liang-Chih Chen

    2015-05-01

    Full Text Available The main intention of this study was to investigate the full-field measurement of de-formation and vibration using a program we developed for digital image correlation. Digital image correlation is a measuring method that can calculate the displacement of each point on an object by using recorded images. By capturing continuous images of the object in deformation or in motion, the displacements of feature points on the object can be tracked and used in calculations to determine the full-field deformation, strain and vibration of the object. We used the fast and simple algorithm in our program as the core, and conducted non-contact full-field displacement measurement by tracking feature points from images taken after motion. The measuring accuracy can be up to 0.1 pixel. Our experimental results show the technique to be very accurate and useful. We also applied this technique under conditions where an ordinary sensor could not be used.

  4. On the measurability of quantum correlation functions

    Energy Technology Data Exchange (ETDEWEB)

    Lima Bernardo, Bertúlio de, E-mail: bertulio.fisica@gmail.com; Azevedo, Sérgio; Rosas, Alexandre

    2015-05-15

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

  5. Density functional theory study of vibrational spectra, and ...

    Indian Academy of Sciences (India)

    The FTIR and FT Raman spectra of dacarbazine were recorded in the regions 4000-400 and 3500-100 cm-1, respectively. The optimized geometry, wavenumber, polarizability and several thermodynamic properties of dacarbazine were studied using ab initio Hartree-Fock, MP2 and DFT methods. A complete vibrational ...

  6. Whole-body vibration exercise improves functional parameters in ...

    African Journals Online (AJOL)

    Background: Patients with osteogenesis imperfecta (OI) have abnormal bone modelling and resorption. The bone tissue adaptation and responsivity to dynamic and mechanical loading may be of therapeutic use under controlled circumstances. Improvements due to the wholebody vibration (WBV) exercises have been ...

  7. Single-camera high-speed stereo-digital image correlation for full-field vibration measurement

    Science.gov (United States)

    Yu, Liping; Pan, Bing

    2017-09-01

    A low-cost, easy-to-implement single-camera high-speed stereo-digital image correlation (SCHS stereo-DIC) method using a four-mirror adapter is proposed for full-field 3D vibration measurement. With the aid of the four-mirror adapter, surface images of calibration target and test objects can be separately imaged onto two halves of the camera sensor through two different optical paths. These images can be further processed to retrieve the vibration responses on the specimen surface. To validate the effectiveness and accuracy of the proposed approach, dynamic parameters including natural frequencies, damping ratios and mode shapes of a rectangular cantilever plate were extracted from the directly measured vibration responses using the established system. The results reveal that the SCHS stereo-DIC is a simple, practical and effective technique for vibration measurements and dynamic parameters identification.

  8. Correlation functions of Coulomb branch operators

    Energy Technology Data Exchange (ETDEWEB)

    Gerchkovitz, Efrat [Weizmann Institute of Science,Rehovot 76100 (Israel); Gomis, Jaume [Perimeter Institute for Theoretical Physics,Waterloo, ON N2L 2Y5 (Canada); Ishtiaque, Nafiz [Perimeter Institute for Theoretical Physics,Waterloo, ON N2L 2Y5 (Canada); Department of Physics, University of Waterloo,Waterloo, ON N2L 3G1 (Canada); Karasik, Avner; Komargodski, Zohar [Weizmann Institute of Science,Rehovot 76100 (Israel); Pufu, Silviu S. [Joseph Henry Laboratories, Princeton University,Princeton, NJ 08544 (United States)

    2017-01-24

    We consider the correlation functions of Coulomb branch operators in four-dimensional N=2 Superconformal Field Theories (SCFTs) involving exactly one anti-chiral operator. These extremal correlators are the “minimal' non-holomorphic local observables in the theory. We show that they can be expressed in terms of certain determinants of derivatives of the four-sphere partition function of an appropriate deformation of the SCFT. This relation between the extremal correlators and the deformed four-sphere partition function is non-trivial due to the presence of conformal anomalies, which lead to operator mixing on the sphere. Evaluating the deformed four-sphere partition function using supersymmetric localization, we compute the extremal correlators explicitly in many interesting examples. Additionally, the representation of the extremal correlators mentioned above leads to a system of integrable differential equations. We compare our exact results with previous perturbative computations and with the four-dimensional tt{sup ∗} equations. We also use our results to study some of the asymptotic properties of the perturbative series expansions we obtain in N=2 SQCD.

  9. Phase behaviour of transfer functions in vibrating systems

    DEFF Research Database (Denmark)

    Zhu, Jianyuan; Ohlrich, Mogens

    1998-01-01

    This paper investigates the applicabilities of pole-zero models and wave propagation theory in estimating the phase characteristics of vibrating systems. The measured phase spectra are compared with the estimated reverberant phase limit and wave propagation phase. The relations between transfer...... on frequency in this band, but from the transition frequency and onwards the phase increases only with the square root of frequency. This behaviour is characteristic for free propagating waves....

  10. Non-Parametric Estimation of Correlation Functions

    DEFF Research Database (Denmark)

    Brincker, Rune; Rytter, Anders; Krenk, Steen

    In this paper three methods of non-parametric correlation function estimation are reviewed and evaluated: the direct method, estimation by the Fast Fourier Transform and finally estimation by the Random Decrement technique. The basic ideas of the techniques are reviewed, sources of bias are point...... out, and methods to prevent bias are presented. The techniques are evaluated by comparing their speed and accuracy on the simple case of estimating auto-correlation functions for the response of a single degree-of-freedom system loaded with white noise....

  11. Group entropies, correlation laws, and zeta functions

    Science.gov (United States)

    Tempesta, Piergiulio

    2011-08-01

    The notion of group entropy is proposed. It enables the unification and generaliztion of many different definitions of entropy known in the literature, such as those of Boltzmann-Gibbs, Tsallis, Abe, and Kaniadakis. Other entropic functionals are introduced, related to nontrivial correlation laws characterizing universality classes of systems out of equilibrium when the dynamics is weakly chaotic. The associated thermostatistics are discussed. The mathematical structure underlying our construction is that of formal group theory, which provides the general structure of the correlations among particles and dictates the associated entropic functionals. As an example of application, the role of group entropies in information theory is illustrated and generalizations of the Kullback-Leibler divergence are proposed. A new connection between statistical mechanics and zeta functions is established. In particular, Tsallis entropy is related to the classical Riemann zeta function.

  12. Correlation of finite-element structural dynamic analysis with measured free vibration characteristics for a full-scale helicopter fuselage

    Science.gov (United States)

    Kenigsberg, I. J.; Dean, M. W.; Malatino, R.

    1974-01-01

    The correlation achieved with each program provides the material for a discussion of modeling techniques developed for general application to finite-element dynamic analyses of helicopter airframes. Included are the selection of static and dynamic degrees of freedom, cockpit structural modeling, and the extent of flexible-frame modeling in the transmission support region and in the vicinity of large cut-outs. The sensitivity of predicted results to these modeling assumptions are discussed. Both the Sikorsky Finite-Element Airframe Vibration analysis Program (FRAN/Vibration Analysis) and the NASA Structural Analysis Program (NASTRAN) have been correlated with data taken in full-scale vibration tests of a modified CH-53A helicopter.

  13. Green's function formalism for highly correlated systems

    Directory of Open Access Journals (Sweden)

    F.Mancini

    2006-01-01

    Full Text Available We present the Composite Operator Method (COM as a modern approach to the study of strongly correlated electronic systems, based on the equation of motion and Green's function method. COM uses propagators of composite operators as building blocks at the basis of approximate calculations and algebra constrains to fix the representation of Green's functions in order to maintain the algebraic and symmetry properties.

  14. Spectral analysis, vibrational assignments, NBO analysis, NMR, UV-Vis, hyperpolarizability analysis of 2-aminofluorene by density functional theory.

    Science.gov (United States)

    Jone Pradeepa, S; Sundaraganesan, N

    2014-05-05

    In this present investigation, the collective experimental and theoretical study on molecular structure, vibrational analysis and NBO analysis has been reported for 2-aminofluorene. FT-IR spectrum was recorded in the range 4000-400 cm(-1). FT-Raman spectrum was recorded in the range 4000-50 cm(-1). The molecular geometry, vibrational spectra, and natural bond orbital analysis (NBO) were calculated for 2-aminofluorene using Density Functional Theory (DFT) based on B3LYP/6-31G(d,p) model chemistry. (13)C and (1)H NMR chemical shifts of 2-aminofluorene were calculated using GIAO method. The computed vibrational and NMR spectra were compared with the experimental results. The total energy distribution (TED) was derived to deepen the understanding of different modes of vibrations contributed by respective wavenumber. The experimental UV-Vis spectra was recorded in the region of 400-200 nm and correlated with simulated spectra by suitably solvated B3LYP/6-31G(d,p) model. The HOMO-LUMO energies were measured with time dependent DFT approach. The nonlinearity of the title compound was confirmed by hyperpolarizabilty examination. Using theoretical calculation Molecular Electrostatic Potential (MEP) was investigated. Copyright © 2014 Elsevier B.V. All rights reserved.

  15. Terahertz spectroscopy and solid-state density functional theory calculation of anthracene: Effect of dispersion force on the vibrational modes

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Feng; Tominaga, Keisuke, E-mail: atmyh@ntu.edu.tw, E-mail: tominaga@kobe-u.ca.jp, E-mail: junichi.nishizawa@hanken.jp [Molecular Photoscience Research Center, Kobe University, Nada, Kobe 657-0013 (Japan); Hayashi, Michitoshi, E-mail: atmyh@ntu.edu.tw, E-mail: tominaga@kobe-u.ca.jp, E-mail: junichi.nishizawa@hanken.jp; Wang, Houng-Wei [Center for Condensed Matter Sciences, National Taiwan University, 1 Roosevelt Rd., Sec. 4, Taipei 10617, Taiwan (China); Kambara, Ohki; Sasaki, Tetsuo [Research Institute of Electronics, Shizuoka University, 3-5-1 Jyohoku, Naka-ku, Hamamatsu, Shizuoka 432-8561 (Japan); Nishizawa, Jun-ichi, E-mail: atmyh@ntu.edu.tw, E-mail: tominaga@kobe-u.ca.jp, E-mail: junichi.nishizawa@hanken.jp [Jun-ichi Nishizawa Memorial Research Center, Tohoku University, 519-1176 Aoba, Aramaki, Aoba-ku, Sendai 980-0845 (Japan)

    2014-05-07

    The phonon modes of molecular crystals in the terahertz frequency region often feature delicately coupled inter- and intra-molecular vibrations. Recent advances in density functional theory such as DFT-D{sup *} have enabled accurate frequency calculation. However, the nature of normal modes has not been quantitatively discussed against experimental criteria such as isotope shift (IS) and correlation field splitting (CFS). Here, we report an analytical mode-decoupling method that allows for the decomposition of a normal mode of interest into intermolecular translation, libration, and intramolecular vibrational motions. We show an application of this method using the crystalline anthracene system as an example. The relationship between the experimentally obtained IS and the IS obtained by PBE-D{sup *} simulation indicates that two distinctive regions exist. Region I is associated with a pure intermolecular translation, whereas region II features coupled intramolecular vibrations that are further coupled by a weak intermolecular translation. We find that the PBE-D{sup *} data show excellent agreement with the experimental data in terms of IS and CFS in region II; however, PBE-D{sup *} produces significant deviations in IS in region I where strong coupling between inter- and intra-molecular vibrations contributes to normal modes. The result of this analysis is expected to facilitate future improvement of DFT-D{sup *}.

  16. Calculated rotational and vibrational g factors of LiH X 1S+ and evaluation of parameters in radial functions from rotational and vibration-rotational spectra

    DEFF Research Database (Denmark)

    Sauer, Stephan P. A.; Paidarová, Ivana; Oddershede, Jens

    2011-01-01

    The vibrational g factor, that is, the nonadiabatic correction to the vibrational reduced mass, of LiH has been calculated for internuclear distances over a wide range. Based on multiconfigurational wave functions with a large complete active space and an extended set of gaussian type basis...... functions, these calculations yielded also the rotational g factor, the electric dipolar moment, and its gradient with internuclear distance for LiH in its electronic ground state X (1)Sigma(+). The vibrational g factor g(v) exhibits a pronounced minimum near internuclear distance R = 3.65 x 10(-10) m...

  17. ASSESSMENT OF THE GENERAL PSYCHOLOGICAL AND FUNCTIONAL CHARACTERISTICS CAUSED BY VIBRATIONS AT DRIVERS OF HEAVY MOTOR VEHICLES

    Directory of Open Access Journals (Sweden)

    Sanela Čajlaković Kurtalić

    2014-09-01

    Full Text Available In this paper we presented a research that estimates general psychological and functional characteristics of motor vehicle drivers, with the goal of determining the adverse effects of noise and vibration on the drivers. The study was conducted on a sample of 56 participants, professional drivers of motor vehicles, randomly chosen from companies of various types operating in transport of passengers and goods. For the evaluation of the results,we used descriptive and correlational analysis. The results showed that there were significant negative side effects caused by the nature of work of drivers, especially those under the influence of noise and vibration, which are even more significant in older participants and those with more years of service and those who spend more time driving during the interval of 24 hours , as well as those who drive heavier vehicles.

  18. Correlated Strength in the Nuclear Spectral Function

    Energy Technology Data Exchange (ETDEWEB)

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

    2004-10-01

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

  19. Noninvasive measurement of dynamic correlation functions

    CSIR Research Space (South Africa)

    Uhrich, P

    2017-08-01

    Full Text Available of ancilla-free protocols. DOI: 10.1103/PhysRevA.96.022127 I. INTRODUCTION Dynamic correlation functions such as 〈O1(t1)O2(t2)〉 relate the values of some observableO1 at an early time t1 to the value of another observable O2 at a later time t2. They play...—at least in principle—protocol for determin- ing dynamic correlations consists of measuring the observable O1 at time t1 and correlating the outcome with the measured value of O2 at time t2. In a quantum mechanical system, however, such a naive approach...

  20. PyTransport: Calculate inflationary correlation functions

    Science.gov (United States)

    Mulryne, David J.; Ronayne, John W.

    2017-10-01

    PyTransport calculates the 2-point and 3-point function of inflationary perturbations produced during multi-field inflation. The core of PyTransport is C++ code which is automatically edited and compiled into a Python module once an inflationary potential is specified. This module can then be called to solve the background inflationary cosmology as well as the evolution of correlations of inflationary perturbations. PyTransport includes two additional modules written in Python, one to perform the editing and compilation, and one containing a suite of functions for common tasks such as looping over the core module to construct spectra and bispectra.

  1. Correlation of analysis with high level vibration test results for primary coolant piping

    Energy Technology Data Exchange (ETDEWEB)

    Park, Y.J.; Hofmayer, C.H. [Brookhaven National Lab., Upton, NY (United States); Costello, J.F. [Nuclear Regulatory Commission, Washington, DC (United States)

    1992-05-01

    Dynamic tests on a modified 1/2.5-scale model of pressurized water reactor (PWR) primary coolant piping were performed using a large shaking table at Tadotsu, Japan. The High Level Vibration Test (HLVT) program was part of a cooperative study between the United States (Nuclear Regulatory Commission/Brookhaven National Laboratory, NRC/BNL) and Japan (Ministry of International Trade and Industry/Nuclear Power Engineering Center). During the test program, the excitation level of each test run was gradually increased up to the limit of the shaking table and significant plastic strains, as well as cracking, were induced in the piping. To fully utilize the test results, NRC/BNL sponsored a project to develop corresponding analytical predictions for the nonlinear dynamic response of the piping for selected test runs. The analyses were performed using both simplified and detailed approaches. The simplified approaches utilize a linear solution and an approximate formulation for nonlinear dynamic effects such as the use of a deamplification factor. The detailed analyses were performed using available nonlinear finite element computer codes, including the MARC, ABAQUS, ADINA and WECAN codes. A comparison of various analysis techniques with the test results shows a higher prediction error in the detailed strain values in the overall response values. A summary of the correlation analyses was presented before the BNL. This paper presents a detailed description of the various analysis results and additional comparisons with test results.

  2. Correlation of analysis with high level vibration test results for primary coolant piping

    Energy Technology Data Exchange (ETDEWEB)

    Park, Y.J.; Hofmayer, C.H. (Brookhaven National Lab., Upton, NY (United States)); Costello, J.F. (Nuclear Regulatory Commission, Washington, DC (United States))

    1992-01-01

    Dynamic tests on a modified 1/2.5-scale model of pressurized water reactor (PWR) primary coolant piping were performed using a large shaking table at Tadotsu, Japan. The High Level Vibration Test (HLVT) program was part of a cooperative study between the United States (Nuclear Regulatory Commission/Brookhaven National Laboratory, NRC/BNL) and Japan (Ministry of International Trade and Industry/Nuclear Power Engineering Center). During the test program, the excitation level of each test run was gradually increased up to the limit of the shaking table and significant plastic strains, as well as cracking, were induced in the piping. To fully utilize the test results, NRC/BNL sponsored a project to develop corresponding analytical predictions for the nonlinear dynamic response of the piping for selected test runs. The analyses were performed using both simplified and detailed approaches. The simplified approaches utilize a linear solution and an approximate formulation for nonlinear dynamic effects such as the use of a deamplification factor. The detailed analyses were performed using available nonlinear finite element computer codes, including the MARC, ABAQUS, ADINA and WECAN codes. A comparison of various analysis techniques with the test results shows a higher prediction error in the detailed strain values in the overall response values. A summary of the correlation analyses was presented before the BNL. This paper presents a detailed description of the various analysis results and additional comparisons with test results.

  3. On the correlation between phase-locking modes and Vibrational Resonance in a neuronal model

    Science.gov (United States)

    Morfu, S.; Bordet, M.

    2018-02-01

    We numerically and experimentally investigate the underlying mechanism leading to multiple resonances in the FitzHugh-Nagumo model driven by a bichromatic excitation. Using a FitzHugh-Nagumo circuit, we first analyze the number of spikes triggered by the system in response to a single sinusoidal wave forcing. We build an encoding diagram where different phase-locking modes are identified according to the amplitude and frequency of the sinusoidal excitation. Next, we consider the bichromatic driving which consists in a low frequency sinusoidal wave perturbed by an additive high frequency signal. Beside the classical Vibrational Resonance phenomenon, we show in real experiments that multiple resonances can be reached by an appropriate setting of the perturbation parameters. We clearly establish a correlation between these resonances and the encoding diagram of the low frequency signal free FitzHugh-Nagumo model. We show with realistic parameters that sharp transitions of the encoding diagram allow to predict the main resonances. Our experiments are confirmed by numerical simulations of the system response.

  4. Influence of vibration on some of functional markers of delayed onset muscle soreness

    Directory of Open Access Journals (Sweden)

    Mansour Sahebazamani

    2012-12-01

    Full Text Available Objective:Objective of this study was to the effect of vibration on some of functional markers of delayed onset muscle soreness.Methodology: 30 college males with mean age of 21.2, were selected and were divided into two groups randomly. A vibrator was used to apply 50?Hz vibration for 1 min in the VT group, while no vibration was applied in the non?VT group. Then, Both groups performed five sets (10 repetitions per set of the eccentric contractions , at 85% of one repetition maximum (1- RM. Range of motion at elbow jount Circomference of� nondominant elbow and Muscle soreness� were recorded before, after, 24, 48, 72, 96 (hr after eccentric contractions.Statistical Result: The results showed vibration training do show positive effects on Range of motion at elbow joint and Muscle soreness and Circomference of nondominant elbow (p> 0.05.Discussion: A comparison by experimental groups indicates that VT before eccentric exercise may prevent and control DOMS.Key words: Eccntric exercise,Delayed onset muscle soreness, Range of motion, vibration training.�

  5. Influence of vibration on some of functional markers of delayed onset muscle soreness

    Directory of Open Access Journals (Sweden)

    Mansour Sahebazamani

    2012-12-01

    Full Text Available Objective of this study was to the effect of vibration on some of functional markers of delayed onset muscle soreness. Methodology: 30 college males with mean age of 21.2, were selected and were divided into two groups randomly. A vibrator was used to apply 50?Hz vibration for 1 min in the VT group, while no vibration was applied in the non?VT group. Then, Both groups performed five sets (10 repetitions per set of the eccentric contractions , at 85% of one repetition maximum (1- RM. Range of motion at elbow jount Circomference of nondominant elbow and Muscle soreness were recorded before, after, 24, 48, 72, 96 (hr after eccentric contractions. Statistical Result: The results showed vibration training do show positive effects on Range of motion at elbow joint and Muscle soreness and Circomference of nondominant elbow (p> 0.05.  Discussion: A comparison by experimental groups indicates that VT before eccentric exercise may prevent and control DOMS.  Key words: Eccntric exercise,Delayed onset muscle soreness, Range of motion, vibration training.  

  6. An analytical method for free vibration analysis of functionally graded beams with edge cracks

    Science.gov (United States)

    Wei, Dong; Liu, Yinghua; Xiang, Zhihai

    2012-03-01

    In this paper, an analytical method is proposed for solving the free vibration of cracked functionally graded material (FGM) beams with axial loading, rotary inertia and shear deformation. The governing differential equations of motion for an FGM beam are established and the corresponding solutions are found first. The discontinuity of rotation caused by the cracks is simulated by means of the rotational spring model. Based on the transfer matrix method, then the recurrence formula is developed to get the eigenvalue equations of free vibration of FGM beams. The main advantage of the proposed method is that the eigenvalue equation for vibrating beams with an arbitrary number of cracks can be conveniently determined from a third-order determinant. Due to the decrease in the determinant order as compared with previous methods, the developed method is simpler and more convenient to analytically solve the free vibration problem of cracked FGM beams. Moreover, free vibration analyses of the Euler-Bernoulli and Timoshenko beams with any number of cracks can be conducted using the unified procedure based on the developed method. These advantages of the proposed procedure would be more remarkable as the increase of the number of cracks. A comprehensive analysis is conducted to investigate the influences of the location and total number of cracks, material properties, axial load, inertia and end supports on the natural frequencies and vibration mode shapes of FGM beams. The present work may be useful for the design and control of damaged structures.

  7. The optimization of single mode basis functions for polyatomic vibrational problems with application to the water molecule

    Science.gov (United States)

    Schwenke, David W.

    1992-01-01

    The optimization of the wave functions is considered for coupled vibrations represented by linear combinations of products of functions depending only on a single vibrational coordinate. The functions themselves are optimized as well as configuration list. For the H2O molecule highly accurate results are obtained for the lowest 15 levels using significantly shorter expansions than would otherwise be possible.

  8. Significance of Input Correlations in Striatal Function

    Science.gov (United States)

    Yim, Man Yi; Aertsen, Ad; Kumar, Arvind

    2011-01-01

    The striatum is the main input station of the basal ganglia and is strongly associated with motor and cognitive functions. Anatomical evidence suggests that individual striatal neurons are unlikely to share their inputs from the cortex. Using a biologically realistic large-scale network model of striatum and cortico-striatal projections, we provide a functional interpretation of the special anatomical structure of these projections. Specifically, we show that weak pairwise correlation within the pool of inputs to individual striatal neurons enhances the saliency of signal representation in the striatum. By contrast, correlations among the input pools of different striatal neurons render the signal representation less distinct from background activity. We suggest that for the network architecture of the striatum, there is a preferred cortico-striatal input configuration for optimal signal representation. It is further enhanced by the low-rate asynchronous background activity in striatum, supported by the balance between feedforward and feedback inhibitions in the striatal network. Thus, an appropriate combination of rates and correlations in the striatal input sets the stage for action selection presumably implemented in the basal ganglia. PMID:22125480

  9. Correlation Functions in Holographic Minimal Models

    CERN Document Server

    Papadodimas, Kyriakos

    2012-01-01

    We compute exact three and four point functions in the W_N minimal models that were recently conjectured to be dual to a higher spin theory in AdS_3. The boundary theory has a large number of light operators that are not only invisible in the bulk but grow exponentially with N even at small conformal dimensions. Nevertheless, we provide evidence that this theory can be understood in a 1/N expansion since our correlators look like free-field correlators corrected by a power series in 1/N . However, on examining these corrections we find that the four point function of the two bulk scalar fields is corrected at leading order in 1/N through the contribution of one of the additional light operators in an OPE channel. This suggests that, to correctly reproduce even tree-level correlators on the boundary, the bulk theory needs to be modified by the inclusion of additional fields. As a technical by-product of our analysis, we describe two separate methods -- including a Coulomb gas type free-field formalism -- that ...

  10. Identification of the best DFT functionals for a reliable prediction of lignin vibrational properties

    DEFF Research Database (Denmark)

    Barsberg, Soren

    2015-01-01

    for a comprehensive study of the quality of available theoretical methods in relation to the task of predicting lignin vibrational properties. The present study examined more than 50 functionals for prediction of IR vibrations of an appropriate lignin model. Based on a basis set incompleteness study, the pc-2 basis...... set was used. B98, X3LYP and B97-1 were the overall best-performing functionals, and “fingerprint” band positions were predicted by single-factor scaling of harmonic frequencies to an average error of ±3 cm−1 by optimized scaling factors of 1.017, 1.021 and 1.016, respectively. Their performance using......Lignin is the most abundant aromatic plant polymer on earth. Useful information on its structure and interactions is gained by vibrational spectroscopy and relies on the quality of band assignments. B3LYP predictions were recently shown to support band assignments. Further progress calls...

  11. Free vibrations and buckling analysis of laminated plates by oscillatory radial basis functions

    Science.gov (United States)

    Neves, A. M. A.; Ferreira, A. J. M.

    2015-12-01

    In this paper the free vibrations and buckling analysis of laminated plates is performed using a global meshless method. A refined version of Kant's theorie which accounts for transverse normal stress and through-the-thickness deformation is used. The innovation is the use of oscillatory radial basis functions. Numerical examples are performed and results are presented and compared to available references. Such functions proved to be an alternative to the tradicional nonoscillatory radial basis functions.

  12. Matrix elements from moments of correlation functions

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Chia Cheng [SLAC National Accelerator Lab., Menlo Park, CA (United States); Bouchard, Chris [College of William and Mary, Williamsburg, VA (United States); Orginos, Konstantinos [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); College of William and Mary, Williamsburg, VA (United States); Richards, David G. [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)

    2016-10-01

    Momentum-space derivatives of matrix elements can be related to their coordinate-space moments through the Fourier transform. We derive these expressions as a function of momentum transfer Q2 for asymptotic in/out states consisting of a single hadron. We calculate corrections to the finite volume moments by studying the spatial dependence of the lattice correlation functions. This method permits the computation of not only the values of matrix elements at momenta accessible on the lattice, but also the momentum-space derivatives, providing {\\it a priori} information about the Q2 dependence of form factors. As a specific application we use the method, at a single lattice spacing and with unphysically heavy quarks, to directly obtain the slope of the isovector form factor at various Q2, whence the isovector charge radius. The method has potential application in the calculation of any hadronic matrix element with momentum transfer, including those relevant to hadronic weak decays.

  13. Detecting correlations among functional-sequence motifs

    Science.gov (United States)

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

    2012-06-01

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

  14. Dynamic functional network connectivity using distance correlation

    Science.gov (United States)

    Rudas, Jorge; Guaje, Javier; Demertzi, Athena; Heine, Lizette; Tshibanda, Luaba; Soddu, Andrea; Laureys, Steven; Gómez, Francisco

    2015-01-01

    Investigations about the intrinsic brain organization in resting-state are critical for the understanding of healthy, pathological and pharmacological cerebral states. Recent studies on fMRI suggest that resting state activity is organized on large scale networks of coordinated activity, in the so called, Resting State Networks (RSNs). The assessment of the interactions among these functional networks plays an important role for the understanding of different brain pathologies. Current methods to quantify these interactions commonly assume that the underlying coordination mechanisms are stationary and linear through the whole recording of the resting state phenomena. Nevertheless, recent evidence suggests that rather than stationary, these mechanisms may exhibit a rich set of time-varying repertoires. In addition, these approaches do not consider possible non-linear relationships maybe linked to feed-back communication mechanisms between RSNs. In this work, we introduce a novel approach for dynamical functional network connectivity for functional magnetic resonance imaging (fMRI) resting activity, which accounts for non-linear dynamic relationships between RSNs. The proposed method is based on a windowed distance correlations computed on resting state time-courses extracted at single subject level. We showed that this strategy is complementary to the current approaches for dynamic functional connectivity and will help to enhance the discrimination capacity of patients with disorder of consciousness.

  15. Transverse Vibration of Axially Moving Functionally Graded Materials Based on Timoshenko Beam Theory

    Directory of Open Access Journals (Sweden)

    Suihan Sui

    2015-01-01

    Full Text Available The transverse free vibration of an axially moving beam made of functionally graded materials (FGM is investigated using a Timoshenko beam theory. Natural frequencies, vibration modes, and critical speeds of such axially moving systems are determined and discussed in detail. The material properties are assumed to vary continuously through the thickness of the beam according to a power law distribution. Hamilton’s principle is employed to derive the governing equation and a complex mode approach is utilized to obtain the transverse dynamical behaviors including the vibration modes and natural frequencies. Effects of the axially moving speed and the power-law exponent on the dynamic responses are examined. Some numerical examples are presented to reveal the differences of natural frequencies for Timoshenko beam model and Euler beam model. Moreover, the critical speed is determined numerically to indicate its variation with respect to the power-law exponent, axial initial stress, and length to thickness ratio.

  16. Vibration control of uncertain multiple launch rocket system using radial basis function neural network

    Science.gov (United States)

    Li, Bo; Rui, Xiaoting

    2018-01-01

    Poor dispersion characteristics of rockets due to the vibration of Multiple Launch Rocket System (MLRS) have always restricted the MLRS development for several decades. Vibration control is a key technique to improve the dispersion characteristics of rockets. For a mechanical system such as MLRS, the major difficulty in designing an appropriate control strategy that can achieve the desired vibration control performance is to guarantee the robustness and stability of the control system under the occurrence of uncertainties and nonlinearities. To approach this problem, a computed torque controller integrated with a radial basis function neural network is proposed to achieve the high-precision vibration control for MLRS. In this paper, the vibration response of a computed torque controlled MLRS is described. The azimuth and elevation mechanisms of the MLRS are driven by permanent magnet synchronous motors and supposed to be rigid. First, the dynamic model of motor-mechanism coupling system is established using Lagrange method and field-oriented control theory. Then, in order to deal with the nonlinearities, a computed torque controller is designed to control the vibration of the MLRS when it is firing a salvo of rockets. Furthermore, to compensate for the lumped uncertainty due to parametric variations and un-modeled dynamics in the design of the computed torque controller, a radial basis function neural network estimator is developed to adapt the uncertainty based on Lyapunov stability theory. Finally, the simulated results demonstrate the effectiveness of the proposed control system and show that the proposed controller is robust with regard to the uncertainty.

  17. Meson's correlation functions in a nuclear medium

    Directory of Open Access Journals (Sweden)

    Chanyong Park

    2016-09-01

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

  18. Finite-Element Vibration Analysis and Modal Testing of Graphite Epoxy Tubes and Correlation Between the Data

    Science.gov (United States)

    Taleghani, Barmac K.; Pappa, Richard S.

    1996-01-01

    Structural materials in the form of graphite epoxy composites with embedded rubber layers are being used to reduce vibrations in rocket motor tubes. Four filament-wound, graphite epoxy tubes were studied to evaluate the effects of the rubber layer on the modal parameters (natural vibration frequencies, damping, and mode shapes). Tube 1 contained six alternating layers of 30-degree helical wraps and 90-degree hoop wraps. Tube 2 was identical to tube 1 with the addition of an embedded 0.030-inch-thick rubber layer. Tubes 3 and 4 were identical to tubes 1 and 2, respectively, with the addition of a Textron Kelpoxy elastomer. This report compares experimental modal parameters obtained by impact testing with analytical modal parameters obtained by NASTRAN finite-element analysis. Four test modes of tube 1 and five test modes of tube 3 correlate highly with corresponding analytical predictions. Unsatisfactory correlation of test and analysis results occurred for tubes 2 and 4 and these comparisons are not shown. Work is underway to improve the analytical models of these tubes. Test results clearly show that the embedded rubber layers significantly increase structural modal damping as well as decrease natural vibration frequencies.

  19. Based On Intrinsic Mode Function Energy Tracking Method of Circuit Breaker Vibration Signal Feature Extraction Studies

    Directory of Open Access Journals (Sweden)

    Sun Yi-Hang

    2017-01-01

    Full Text Available In order to detect a mechanical type of structural failure of the circuit breaker, the characteristics of the circuit breaker mechanical vibration signal is analyzed in this paper. A combination of medium voltage circuit breaker based on empirical mode decomposition (EMD amount of energy and support vector machine (SVM theory vibration signal feature vector extraction and analysis of fault classification method is proposed. First, the vibration signal of the circuit breaker is decomposed by EMD, then intrinsic mode function (IMF is obtain. The major fault feature information intrinsic mode functions the amount of energy of the component is obtained by discrete sampling points and the amount of energy. Using the amount of energy of IMF component as a feature vector, the failure of the test sample signal as input feature vector into trained “BT-SVM” support vector machine classification mechanism for fault classification. The differences and fault type of vibration signals can be identified by this method through the experimental analysis.

  20. Quantum chemical density functional theory studies on the molecular structure and vibrational spectra of mannitol

    Science.gov (United States)

    Moorthi, P. P.; Gunasekaran, S.; Swaminathan, S.; Ramkumaar, G. R.

    2015-02-01

    A collective experimental and theoretical study was conducted on the molecular structure and vibrational spectra of mannitol. The FT-IR and FT-Raman spectra of mannitol were recorded in the solid phase. The molecular geometry, vibrational frequencies, thermodynamic functions and atomic charges of mannitol in the ground state have been calculated by using the ab initio HF (Hartree-Fock) and density functional methods (B3LYP) invoking cc-pVDZ basis set. The complete vibrational assignments were performed on the basis of Total Energy Distribution (TED) of the vibrational modes. The UV absorption spectra of the title compound dissolved in water. Natural bond orbital analysis has been carried out to explain the charge transfer or delocalization of charge due to the intra-molecular interactions. The 1H and 13C nuclear magnetic resonance (NMR) chemical shifts of the molecule were calculated by GIAO methods. The first order hyperpolarizability (β0) of this novel molecular system and related properties (β, α0 and Δα) of mannitol are calculated using B3LYP/cc-pVDZ and HF/cc-pVDZ methods on the finite-field approach. By using TD-DFT calculation, electronic absorption spectra of the title compound have been predicted and a good agreement with experimental one is established. In addition, the molecular electrostatic potential (MEP) have been investigated using theoretical calculations, the calculated HOMO and LUMO energies shows that the charge transfer within the molecule.

  1. Structures, vibrational absorption and vibrational circular dichroism spectra of L-alanine in aqueous solution: a density functional theory and RHF study

    DEFF Research Database (Denmark)

    Frimand, Kenneth; Bohr, Henrik; Jalkanen, Karl J.

    2000-01-01

    A detailed comparative study of structures, vibrational absorption (VA) and vibrational circular dichroism (VCD) spectra has been carried out for the zwitterionic structure of the amino acid L-alanine. Theoretically determined structures necessary for deriving VA and VCD spectra were calculated...... at the density functional theory level using the B3LYP functional with the 6-31G* basis set. The Hessians and atomic polar tensors and atomic axial tensors were all calculated at the B3LYP/6-31G* level of theory. An important result is the method of treating solvent effects by both adding explicit water...

  2. Relativistic corrections for non-Born-Oppenheimer molecular wave functions expanded in terms of complex explicitly correlated Gaussian functions

    Science.gov (United States)

    Bubin, Sergiy; Stanke, Monika; Adamowicz, Ludwik

    2017-06-01

    In our previous work S. Bubin et al., Chem. Phys. Lett. 647, 122 (2016), 10.1016/j.cplett.2016.01.056, it was established that complex explicitly correlated one-center all-particle Gaussian functions (CECGs) provide effective basis functions for very accurate nonrelativistic molecular non-Born-Oppenheimer calculations. In this work, we advance the molecular CECGs approach further by deriving and implementing algorithms for calculating the leading relativistic corrections within this approach. The algorithms are tested in the calculations of the corrections for all 23 bound pure vibrational states of the HD+ ion.

  3. FUNCTIONAL CORRELATION OF FP AND DC METHODS

    Directory of Open Access Journals (Sweden)

    Marin Kaluža

    2013-02-01

    Full Text Available Most of organizations today use information-communication technologies (ICT for building an information system (IS. IS is assembled of hardware, software, network resources, organizational and human resources. In IS development process, complexity is crucial for evaluating quantities of resources needed (time, people, money, equipment. Complexity of an IS can be evaluated and/or measured in different phases of development. There are many methods for measuring complexity, but mostly used and thoroughly described method is Function Point Analysis (FP. The opposite method, Database Complexity (DC, does not measure all the aspects of IS, but it could evaluate system complexity depending on the database complexity. DC method is intended to be used for measuring semantic complexity of the IS database, and can be shown by counting attributes A and foreign keys F. This paper describes a very high correlation between FP and DC methods, and defines a function which can in 95% of accuracy express FP values from measured DC values.

  4. Free Vibration and Stability of Axially Functionally Graded Tapered Euler-Bernoulli Beams

    Directory of Open Access Journals (Sweden)

    Ahmad Shahba

    2011-01-01

    Full Text Available Structural analysis of axially functionally graded tapered Euler-Bernoulli beams is studied using finite element method. A beam element is proposed which takes advantage of the shape functions of homogeneous uniform beam elements. The effects of varying cross-sectional dimensions and mechanical properties of the functionally graded material are included in the evaluation of structural matrices. This method could be used for beam elements with any distributions of mass density and modulus of elasticity with arbitrarily varying cross-sectional area. Assuming polynomial distributions of modulus of elasticity and mass density, the competency of the element is examined in stability analysis, free longitudinal vibration and free transverse vibration of double tapered beams with different boundary conditions and the convergence rate of the element is then investigated.

  5. Prediction of protein functions based on function-function correlation relations.

    Science.gov (United States)

    Ng, Ka-Lok; Ciou, Jin-Shuei; Huang, Chien-Hung

    2010-03-01

    A protein function pair approach, based on protein-protein interaction (PPI) data, is proposed to predict protein functions. Randomization tests are performed on the PPI dataset, which resulted in a protein function correlation scoring value which is used to rank the relative importance of a function pair. It has been found that certain classes of protein functions tend to be correlated together. Scoring values of these correlation pairs allow us to predict the functionality of a protein given that it interacts with proteins having well-defined function annotations. The jackknife test is used to validate the function pair method. The protein function pair approach achieves a prediction sensitivity comparable to an approach using more sophisticated method. The main advantages of this approach are as follows: (i) a set of function-function correlation relations are derived and intuitive biological interpretation can be achieved, and (ii) its simplicity, only two parameters are needed. Copyright (c) 2010 Elsevier Ltd. All rights reserved.

  6. Lumped Parameter Modeling for Rapid Vibration Response Prototyping and Test Correlation for Electronic Units

    Science.gov (United States)

    Van Dyke, Michael B.

    2013-01-01

    Present preliminary work using lumped parameter models to approximate dynamic response of electronic units to random vibration; Derive a general N-DOF model for application to electronic units; Illustrate parametric influence of model parameters; Implication of coupled dynamics for unit/board design; Demonstrate use of model to infer printed wiring board (PWB) dynamics from external chassis test measurement.

  7. 2-Bromohydroquinone: structures, vibrational assignments and RHF, B- and B3-based density functional calculations.

    Science.gov (United States)

    Ramoji, Anuradha; Yenagi, Jayashree; Tonannavar, J

    2008-03-01

    Vibrational spectral measurements, namely, infrared (4000-400 cm(-1)) and Raman (3500-50 cm(-1)) spectra have been made for 2-Bromohydroquinone. Optimized geometrical structures, harmonic vibrational frequencies and intensities have been computed by the ab initio (RHF), B-based (BLYP, BP86) and B3-based (B3P86, B3LYP, B3PW91) density functional methods using 6-31G(d) basis set. A complete assignment of the observed spectra has been proposed. Coupling of vibrations has been determined by calculating potential energy distributions (PEDs) at BP86/6-31G(d) level of theory. In the computed equilibrium geometries by all the levels, the bond lengths and bond angles show changes in the neighborhood of Bromine. Similarly, the vibrational spectra exhibit some marked spectral features unlike in hydroquinone and phenol. On the other hand, the infrared spectrum shows a clear evidence of O-H...O bonding near 3200 cm(-1) as in hydroquinone. Evaluation of the theoretical methods demonstrates that all the levels but the RHF have reproduced frequencies fairly accurately in the 2000-500 cm(-1); below 500 cm(-1) the RHF has performed reasonably well.

  8. Vibration control for a rigid-flexible manipulator with full state constraints via Barrier Lyapunov Function

    Science.gov (United States)

    Cao, Fangfei; Liu, Jinkun

    2017-10-01

    Considering full state constraints, this paper designs a boundary controller for a two-link rigid-flexible manipulator via Barrier Lyapunov Function. The dynamic model of the two-link rigid-flexible manipulator is described by coupled ordinary differential equations- partial differential equations (ODEs-PDEs). Based on the original model without neglecting the high-frequency modes, boundary controller is proposed to regulate the joint positions and eliminate the elastic vibration simultaneously. To ensure that the full state constraints which include position, speed and vibration constraints are not transgressed, a Barrier Lyapunov Function is employed in the proposed controller. The asymptotic stability of the closed-loop system is rigorously proved by the LaSalle's Invariance Principle. Simulations are given to verify the effectiveness of the proposed controller with state constraints.

  9. Analysis of vibrational, structural, and electronic properties of rivastigmine by density functional theory

    Science.gov (United States)

    Prasad, O.; Sinha, L.; Misra, N.; Narayan, V.; Kumar, N.; Kumar, A.

    2010-09-01

    The present work deals with the structural, electronic, and vibrational analysis of rivastigmine. Rivastigmine, an antidementia medicament, is credited with significant therapeutic effects on the cognitive, functional, and behavioural problems that are commonly associated with Alzheimer’s dementia. For rivastigmine, a number of minimum energy conformations are possible. The geometry of twelve possible conformers has been analyzed and the most stable conformer was further optimized at a higher basis set. The electronic properties and vibrational frequencies were then calculated using a density functional theory at the B3LYP level with the 6-311+G(d, p) basis set. The different molecular surfaces have also been drawn to understand the activity of the molecule. A narrower frontier orbital energy gap in rivastigmine makes it softer and more reactive than water and dimethylfuran. The calculated value of the dipole moment is 2.58 debye.

  10. Lattice dynamics and correlated atomic motion from the atomic pair distribution function

    OpenAIRE

    Jeong, I. -K.; Heffner, R. H.; Graf, M. J.; Billinge, S. J. L.

    2002-01-01

    The mean-square relative displacements (MSRD) of atomic pair motions in crystals are studied as a function of pair distance and temperature using the atomic pair distribution function (PDF). The effects of the lattice vibrations on the PDF peak widths are modelled using both a multi-parameter Born von-Karman (BvK) force model and a single-parameter Debye model. These results are compared to experimentally determined PDFs. We find that the near-neighbor atomic motions are strongly correlated, ...

  11. Thermal Buckling and Free Vibration Analysis of Heated Functionally Graded Material Beams

    OpenAIRE

    Khalane Sanjay Anandrao; R. K. Gupta; P. Ramachandran; G. V. Rao

    2013-01-01

    The effect of temperature dependency of material properties on thermal buckling and free vibration of functionally graded material (FGM) beams is studied. The FGM beam is assumed to be at a uniform through thickness temperature, above the ambient temperature. Finite element system of equations based on the first order shear deformation theory is developed. FGM beam with axially immovable ends having the classical boundary conditions is analysed. An exhaustive set of numerical results, in term...

  12. The approximation function of bridge deck vibration derived from the measured eigenmodes

    Directory of Open Access Journals (Sweden)

    Sokol Milan

    2017-12-01

    Full Text Available This article deals with a method of how to acquire approximate displacement vibration functions. Input values are discrete, experimentally obtained mode shapes. A new improved approximation method based on the modal vibrations of the deck is derived using the least-squares method. An alternative approach to be employed in this paper is to approximate the displacement vibration function by a sum of sine functions whose periodicity is determined by spectral analysis adapted for non-uniformly sampled data and where the parameters of scale and phase are estimated as usual by the least-squares method. Moreover, this periodic component is supplemented by a cubic regression spline (fitted on its residuals that captures individual displacements between piers. The statistical evaluation of the stiffness parameter is performed using more vertical modes obtained from experimental results. The previous method (Sokol and Flesch, 2005, which was derived for near the pier areas, has been enhanced to the whole length of the bridge. The experimental data describing the mode shapes are not appropriate for direct use. Especially the higher derivatives calculated from these data are very sensitive to data precision.

  13. Unified Green's function retrieval by cross-correlation; connection with energy principles.

    Science.gov (United States)

    Snieder, Roel; Wapenaar, Kees; Wegler, Ulrich

    2007-03-01

    It has been shown theoretically and observationally that the Green's function for acoustic and elastic waves can be retrieved by cross-correlating fluctuations recorded at two locations. We extend the concept of the extraction of the Green's function to a wide class of scalar linear systems. For systems that are not invariant under time reversal, the fluctuations must be excited by volume sources in order to satisfy the energy balance (equipartitioning) that is needed to extract the Green's function. The general theory for retrieving the Green's function is illustrated with examples that include the diffusion equation, Schrödinger's equation, a vibrating string, the acoustic wave equation, a vibrating beam, and the advection equation. Examples are also shown of situations where the Green's function cannot be extracted from ambient fluctuations. The general theory opens up new applications for the extraction of the Green's function from field correlations that include flow in porous media, quantum mechanics, and the extraction of the response of mechanical structures such as bridges.

  14. Somatosensory Nerve Function, Measured by Vibration Thresholds in Asymptomatic Tennis Players: A Pilot Study

    Directory of Open Access Journals (Sweden)

    Sarah Harrisson

    2015-06-01

    Full Text Available Tennis players are vulnerable to injury in their upper limbs due to the repetitive exposure to racket vibrations and torsional forces during play, leading to musculoskeletal adaptations in the dominant arm including some evidence of changes in nerve function (Colak et al., 2004. Vibration is a sensitive technique for diagnosing mild pathology in clinically asymptomatic participant groups. It has been used in participants with various musculoskeletal disorders (Laursen et al., 2006 (Tucker et al., 2007 showing widespread and bilateral increases in vibration threshold. Tests of somatosensory function by vibration will be abnormal prior to changes in nerve conduction velocity. Thus vibration testing in a sub-clinical group of participants may a more sensitive measure of nerve function compared to nerve conduction by electrodiagnostic testing. The aim of this pilot study was to conduct an exploratory investigation to establish whether tennis players have a reduction in their somatosensory nerve function compared to non- tennis playing controls. It also set out to compare the somatosensory nerve function of the dominant compared to the non-dominant upper limb in tennis players. Healthy tennis players (males, n = 8, females, n = 2, mean age 22 years and control non- tennis playing volunteers (males, n = 6, females, n = 4, mean age 22 years were recruited on an opportunistic basis from a tennis centre in London UK. Participants were excluded if they had any history of neurological impairment, serious injury or fracture or any arthritic condition affecting the upper limbs, cervical or thoracic spine. Control participants were excluded if it was deemed that they played a sport where there was exposure to repetitive use of the upper body. Ethical approval was obtained from the University College London Ethics Committee and all participants gave written informed consent. A preliminary clinical examination was carried out on all participants followed by

  15. Vibrational analysis, electronic structure and nonlinear optical properties of Levofloxacin by density functional theory

    Science.gov (United States)

    Gunasekaran, Sethu; Rajalakshmi, K.; Kumaresan, Subramanian

    2013-08-01

    The Fourier transform (FT-IR) spectrum of Levofloxacin was recorded in the region 4000-400 cm-1 and a complete vibrational assignment of fundamental vibrational modes of the molecule was carried out using density functional method. The observed fundamental modes have been compared with the harmonic vibrational frequencies computed using DFT (B3LYP) method by employing 6-31 G (d, p) basis sets. The most stable geometry of the molecule under investigation has been determined from the potential energy scan. The first-order hyperpolarizability (βo) and other related properties (μ, αo) of Levofloxacin are calculated using density functional theory (DFT) on a finite field approach. UV-vis spectrum of the molecule was recorded and the electronic properties, such as HOMO and LUMO energies were performed by DFT using 6-31 G (d, p) basis sets. Stability of the molecule arising from hyperconjugative interactions, charge delocalization have been analyzed using natural bond orbital analysis (NBO). The calculated HOMO and LUMO energies show that, the charge transfer occurs within the molecule. The other molecular properties like molecular electrostatic potential (MESP), Mulliken population analysis and thermodynamic properties of the title molecule have been calculated.

  16. Vibrational Raman spectra of hydrogen clathrate hydrates from density functional theory

    Science.gov (United States)

    Ramya, K. R.; Venkatnathan, Arun

    2013-03-01

    Hydrogen clathrate hydrates are promising sources of clean energy and are known to exist in a sII hydrate lattice, which consists of H2 molecules in dodecahedron (512) and hexakaidecahedron (51264) water cages. The formation of these hydrates which occur in extreme thermodynamic conditions is known to be considerably reduced by an inclusion of tetrahydrofuran (THF) in cages of these hydrate lattice. In this present work, we employ the density functional theory with a dispersion corrected (B97-D) functional to characterize vibrational Raman modes in the cages of pure and THF doped hydrogen clathrate hydrates. Our calculations show that the symmetric stretch of the H2 molecule in the 51264H2.THF cage is blueshifted compared to the 51264H2 cage. However, all vibrational modes of water molecules are redshifted which suggest reduced interaction between the H2 molecule and water molecules in the 51264H2.THF cage. The symmetric and asymmetric O-H stretch of water molecules in 512H2, 51264H2, and 51264H2.THF cages are redshifted compared with the corresponding guest free cages due to interactions between encapsulated H2 molecules and water molecules of the cages. The low frequency modes contain contributions from contraction and expansion of water cages and vibration of water molecules due to hydrogen bonding and these modes could possibly play an important role in the formation of the hydrate lattice.

  17. IR and Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometries and atomic charges of uracil and 5-aminouracil

    Science.gov (United States)

    Singh, J. S.

    2014-09-01

    Infrared (IR) and Raman spectra of uracil and 5-aminouracil have been recorded and analyzed between the region 200-4000 cm-1. The optimized molecular geometries, atomic polar tensor (APT) charges and vibrational characteristics have been studied theoretically using restricted Hartree-Fock (RHF) and density functional theory (DFT) methods. Using the Becke’s exchange in conjunction with Lee-Yang-Parr’s correlation functional and Becke’s three-parameter hybrid method (B3LYP), the ab initio and DFT calculations were carried out to study the optimized molecular fundamental vibrational frequencies for uracil and 5-aminouracil by employing Gaussian-03 program. The fundamental vibrational frequencies along with their corresponding intensities in IR and Raman activities and depolarization ratios of the Raman lines have also been calculated using the RHF and DFT methods employing different basis sets. In quantum chemical calculations, the most of B3LYP/6-311++G** vibrational frequencies are in the excellent agreement with available experimental assignments and helped in the reassignments of some fundamental vibrational modes. On the basis of calculated results, the assignments of some missing frequencies in the experimental study are proposed. Assuming under the Cs point group for both molecules, the distribution of normal mode of vibrations between the two species as planar (a‧) and non-planar (a″) are given by 25a‧ + 11a″, of which 30 modes (21a‧ + 9a″) correspond to the uracil moiety and 6 modes (4a‧ + 2a″) to the NH2 group. Kekule ring stretching mode is found to be comparatively higher frequency magnitude than the mode of uracil due to the involvement of hydrogen bonding of amino group. But, the ring breathing is found to be lower frequency magnitude compared to those for uracil which could be due to mass effect of the NH2 group in place of the hydrogen atom. All other bands have also been assigned different fundamentals/overtones/combinations.

  18. Energy trapping of thickness-shear vibration modes of elastic plates with functionally graded materials.

    Science.gov (United States)

    Wang, Ji; Yang, Jiashi; Li, Jiangyu

    2007-03-01

    Energy trapping has important applications in the design of thickness-shear resonators. Considerable efforts have been made for the effective utilization and improvement of energy trapping with variations of plate configurations, such as adding electrodes and contouring. As a new approach in seeking improved energy trapping feature, we analyze thickness-shear vibrations in an elastic plate with functionally graded material (FGM) of in-plane variation of mechanical properties, such as elastic constants and density. A simple and general equation governing the thickness-shear modes is derived from a variational analysis. A plate with piecewise constant material properties is analyzed as an example. It is shown that such a plate can support thickness-shear vibration modes with obvious energy trapping. Bechmann's number for the existence of only one trapped mode also can be determined accordingly.

  19. Function-function correlated multi-label protein function prediction over interaction networks.

    Science.gov (United States)

    Wang, Hua; Huang, Heng; Ding, Chris

    2013-04-01

    Many previous works in protein function prediction make predictions one function at a time, fundamentally, which assumes the functional categories to be isolated. However, biological processes are highly correlated and usually intertwined together to happen at the same time; therefore, it would be beneficial to consider protein function prediction as one indivisible task and treat all the functional categories as an integral and correlated prediction target. By leveraging the function-function correlations, it is expected to achieve improved overall predictive accuracy. To this end, we develop a network-based protein function prediction approach, under the framework of multi-label classification in machine learning, to utilize the function-function correlations. Besides formulating the function-function correlations in the optimization objective explicitly, we also exploit them as part of the pairwise protein-protein similarities implicitly. The algorithm is built upon the Green's function over a graph, which not only employs the global topology of a network but also captures its local structures. In addition, we propose an adaptive decision boundary method to deal with the unbalanced distribution of protein annotation data. Finally, we quantify the statistical confidence of predicted functions to facilitate post-processing of proteomic analysis. We evaluate the proposed approach on Saccharomyces cerevisiae data, and the experimental results demonstrate very encouraging results.

  20. Quantum chemical density functional theory studies on the molecular structure and vibrational spectra of mannitol.

    Science.gov (United States)

    Moorthi, P P; Gunasekaran, S; Swaminathan, S; Ramkumaar, G R

    2015-02-25

    A collective experimental and theoretical study was conducted on the molecular structure and vibrational spectra of mannitol. The FT-IR and FT-Raman spectra of mannitol were recorded in the solid phase. The molecular geometry, vibrational frequencies, thermodynamic functions and atomic charges of mannitol in the ground state have been calculated by using the ab initio HF (Hartree-Fock) and density functional methods (B3LYP) invoking cc-pVDZ basis set. The complete vibrational assignments were performed on the basis of Total Energy Distribution (TED) of the vibrational modes. The UV absorption spectra of the title compound dissolved in water. Natural bond orbital analysis has been carried out to explain the charge transfer or delocalization of charge due to the intra-molecular interactions. The (1)H and (13)C nuclear magnetic resonance (NMR) chemical shifts of the molecule were calculated by GIAO methods. The first order hyperpolarizability (β0) of this novel molecular system and related properties (β, α0 and Δα) of mannitol are calculated using B3LYP/cc-pVDZ and HF/cc-pVDZ methods on the finite-field approach. By using TD-DFT calculation, electronic absorption spectra of the title compound have been predicted and a good agreement with experimental one is established. In addition, the molecular electrostatic potential (MEP) have been investigated using theoretical calculations, the calculated HOMO and LUMO energies shows that the charge transfer within the molecule. Copyright © 2014 Elsevier B.V. All rights reserved.

  1. Estimation of Correlation Functions by the Random Decrement Technique

    DEFF Research Database (Denmark)

    Brincker, Rune; Krenk, Steen; Jensen, Jacob Laigaard

    1991-01-01

    The Random Decrement (RDD) Technique is a versatile technique for characterization of random signals in the time domain. In this paper a short review of the theoretical basis is given, and the technique is illustrated by estimating auto-correlation functions and cross-correlation functions on modal...... - in some cases up to 100 times faster than the FFT technique. Another important advantage is that if the RDD technique is implemented correctly, the correlation function estimates are unbiased. Comparison with exact solutions for the correlation functions shows that the RDD auto-correlation estimates...... suffer from smaller RDD auto-correlation estimation errors than the corresponding FFT estimates. However, in the case of estimating cross-correlation functions for the stochastic processes with low mutual correlation, the FFT tehcnique might be more accurate....

  2. Estimation of Correlation Functions by the Random Decrement Technique

    DEFF Research Database (Denmark)

    Brincker, Rune; Krenk, S.; Jensen, Jakob Laigaard

    1993-01-01

    The Random Decrement (RDD) Technique is a versatile technique for characterization of random signals in the time domain. In this paper a short review of the theoretical basis is given, and the technique is illustrated by estimating auto-correlation functions and cross-correlation functions on modal...... - in some case up to 100 times faster that the FFT technique. Another important advantage is that if the RDD technique is implemented correctly, the correlation function estimates are unbiased. Comparison with exact solutions for the correlation functions show that the RDD auto-correlation estimates suffer...

  3. Estimation of Correlation Functions by the Random Decrement Technique

    DEFF Research Database (Denmark)

    Brincker, Rune; Krenk, Steen; Jensen, Jakob Laigaard

    The Random Decrement (RDD) Technique is a versatile technique for characterization of random signals in the time domain. In this paper a short review of the theoretical basis is given, and the technique is illustrated by estimating auto-correlation functions and cross-correlation functions on modal...... - in some case up to 100 times faster that the FFT technique. Another important advantage is that if the RDD technique is implemented correctly, the correlation function estimates are unbiased. Comparison with exact solutions for the correlation functions show that the RDD auto-correlation estimates suffer...

  4. Application of the differential transformation method for nonlocal vibration analysis of functionally graded nanobeams

    Energy Technology Data Exchange (ETDEWEB)

    Ebrahimi, Farzad; Ghadiri, Majid; Salari, Erfan; Shaghaghi, Gholam Reza [Imam Khomeini International University, Qazvin (Iran, Islamic Republic of); Hoseini, Seied Amir Hosein [University of Zanjan, Zanjan (Iran, Islamic Republic of)

    2015-03-15

    In this study, the applicability of differential transformation method (DTM) in investigations on vibrational characteristics of functionally graded (FG) size-dependent nanobeams is examined. The material properties of FG nanobeam vary over the thickness based on the power law. The nonlocal Eringen theory, which takes into account the effect of small size, enables the present model to be effective in the analysis and design of nanosensors and nanoactuators. Governing equations are derived through Hamilton's principle. The obtained results exactly match the results of the presented Navier-based analytical solution as well as those available in literature. The DTM is also demonstrated to have high precision and computational efficiency in the vibration analysis of FG nanobeams. The detailed mathematical derivations are presented and numerical investigations performed with emphasis placed on investigating the effects of several parameters, such as small scale effects, volume fraction index, mode number, and thickness ratio on the normalized natural frequencies of the FG nanobeams. The study also shows explicitly that vibrations of FG nanobeams are significantly influenced by these effects. Numerical results are presented to serve as benchmarks for future analyses of FG nanobeams.

  5. Multirate Simulations of String Vibrations Including Nonlinear Fret-String Interactions Using the Functional Transformation Method

    Directory of Open Access Journals (Sweden)

    R. Rabenstein

    2004-06-01

    Full Text Available The functional transformation method (FTM is a well-established mathematical method for accurate simulations of multidimensional physical systems from various fields of science, including optics, heat and mass transfer, electrical engineering, and acoustics. This paper applies the FTM to real-time simulations of transversal vibrating strings. First, a physical model of a transversal vibrating lossy and dispersive string is derived. Afterwards, this model is solved with the FTM for two cases: the ideally linearly vibrating string and the string interacting nonlinearly with the frets. It is shown that accurate and stable simulations can be achieved with the discretization of the continuous solution at audio rate. Both simulations can also be performed with a multirate approach with only minor degradations of the simulation accuracy but with preservation of stability. This saves almost 80% of the computational cost for the simulation of a six-string guitar and therefore it is in the range of the computational cost for digital waveguide simulations.

  6. Electro-mechanical vibration analysis of functionally graded piezoelectric porous plates in the translation state

    Science.gov (United States)

    Wang, Yan Qing

    2018-02-01

    To provide reference for aerospace structural design, electro-mechanical vibrations of functionally graded piezoelectric material (FGPM) plates carrying porosities in the translation state are investigated. A modified power law formulation is employed to depict the material properties of the plates in the thickness direction. Three terms of inertial forces are taken into account due to the translation of plates. The geometrical nonlinearity is considered by adopting the von Kármán non-linear relations. Using the d'Alembert's principle, the nonlinear governing equation of the out-of-plane motion of the plates is derived. The equation is further discretized to a system of ordinary differential equations using the Galerkin method, which are subsequently solved via the harmonic balance method. Then, the approximate analytical results are validated by utilizing the adaptive step-size fourth-order Runge-Kutta technique. Additionally, the stability of the steady state responses is examined by means of the perturbation technique. Linear and nonlinear vibration analyses are both carried out and results display some interesting dynamic phenomenon for translational porous FGPM plates. Parametric study shows that the vibration characteristics of the present inhomogeneous structure depend on several key physical parameters.

  7. Investigating the thermal environment effects on geometrically nonlinear vibration of smart functionally graded plates

    Energy Technology Data Exchange (ETDEWEB)

    Ebrahimi, Farzad; Rastgoo, Abbas; Bahrami, Mansoor Nikkhah [University of Tehran, Tehran (Iran, Islamic Republic of)

    2010-03-15

    An analytical solution for a sandwich circular FGM plate coupled with piezoelectric layers under one-dimensional heat conduction is presented. All materials of the device may be of any functional gradients in the direction of thickness. The solution exactly satisfies all the equilibrium conditions and continuity conditions for the stress, displacement and electric displacement as well as electric potential on the interfaces between adjacency layers. A nonlinear static problem is solved first to determine the initial stress state and pre-vibration deformations of the FG plate that is subjected to in-plane forces and applied actuator voltage in thermal environment in the case of simply supported boundary conditions. By adding an incremental dynamic state to the pre-vibration state, the differential equations that govern the nonlinear vibration behavior of pre-stressed piezoelectric coupled FGM plates are derived. The role of thermal environment as well as control effects on nonlinear static deflections and natural frequencies imposed by the piezoelectric actuators using high input voltages are investigated. Numerical examples are provided and simulation results are discussed. Numerical results for FGM plates with a mixture of metal and ceramic are presented in dimensionless forms. The good agreement between the results of this paper and those of the finite element (FE) analyses validated the presented approach. In a parametric study the emphasis is placed on investigating the effect of varying the applied actuator voltage and thermal environment as well as gradient index of FG plate on the dynamics and control characteristics of the structure

  8. Porosity-dependent nonlinear forced vibration analysis of functionally graded piezoelectric smart material plates

    Science.gov (United States)

    Qing Wang, Yan; Zu, Jean W.

    2017-10-01

    This work investigates the porosity-dependent nonlinear forced vibrations of functionally graded piezoelectric material (FGPM) plates by using both analytical and numerical methods. The FGPM plates contain porosities owing to the technical issues during the preparation of FGPMs. Two types of porosity distribution, namely, even and uneven distribution, are considered. A modified power law model is adopted to describe the material properties of the porous FGPM plates. Using D’Alembert’s principle, the out-of-plane equation of motion is derived by taking into account the Kármán nonlinear geometrical relations. After that, the Galerkin method is used to discretize the equation of motion, resulting in a set of ordinary differential equations with respect to time. These ordinary differential equations are solved analytically by employing the harmonic balance method. The approximate analytical results are verified by using the adaptive step-size fourth-order Runge-Kutta method. By means of the perturbation technique, the stability of approximate analytical solutions is examined. An interesting nonlinear broadband vibration phenomenon is detected in the FGPM plates with porosities. Nonlinear frequency-response characteristics of the present smart structures are investigated for various system parameters including the porosity type, the porosity volume fraction, the electric potential, the external excitation, the damping and the constituent volume fraction. It is found that these parameters have significant effects on the nonlinear vibration characteristics of porous FGPM plates.

  9. Size-dependent axisymmetric vibration of functionally graded circular plates in bifurcation/limit point instability

    Science.gov (United States)

    Ashoori, A. R.; Vanini, S. A. Sadough; Salari, E.

    2017-04-01

    In the present paper, vibration behavior of size-dependent functionally graded (FG) circular microplates subjected to thermal loading are carried out in pre/post-buckling of bifurcation/limit-load instability for the first time. Two kinds of frequently used thermal loading, i.e., uniform temperature rise and heat conduction across the thickness direction are considered. Thermo-mechanical material properties of FG plate are supposed to vary smoothly and continuously throughout the thickness based on power law model. Modified couple stress theory is exploited to describe the size dependency of microplate. The nonlinear governing equations of motion and associated boundary conditions are extracted through generalized form of Hamilton's principle and von-Karman geometric nonlinearity for the vibration analysis of circular FG plates including size effects. Ritz finite element method is then employed to construct the matrix representation of governing equations which are solved by two different strategies including Newton-Raphson scheme and cylindrical arc-length method. Moreover, in the following a parametric study is accompanied to examine the effects of the several parameters such as material length scale parameter, temperature distributions, type of buckling, thickness to radius ratio, boundary conditions and power law index on the dimensionless frequency of post-buckled/snapped size-dependent FG plates in detail. It is found that the material length scale parameter and thermal loading have a significant effect on vibration characteristics of size-dependent circular FG plates.

  10. Forced vibration analysis of functionally graded carbon nanotube-reinforced composite plates using a numerical strategy

    Science.gov (United States)

    Ansari, R.; Hasrati, E.; Faghih Shojaei, M.; Gholami, R.; Shahabodini, A.

    2015-05-01

    In this paper, the nonlinear forced vibration behavior of composite plates reinforced by carbon nanotubes is investigated by a numerical approach. The reinforcement is considered to be functionally graded (FG) in the thickness direction according to a micromechanical model. The first-order shear deformation theory and von Kármán-type kinematic relations are employed. The governing equations and the corresponding boundary conditions are derived with the use of Hamilton's principle. The generalized differential quadrature (GDQ) method is utilized to achieve a discretized set of nonlinear governing equations. A Galerkin-based scheme is then applied to obtain a time-varying set of ordinary differential equations of Duffing-type. Subsequently, a time periodic discretization is done and the frequency response of plates is determined via the pseudo-arc length continuation method. Selected numerical results are given for the effects of different parameters on the nonlinear forced vibration characteristics of uniformly distributed carbon nanotube- and FG carbon nanotube-reinforced composite plates. It is found that with the increase of CNT volume fraction, the flexural stiffness of plate increases; and hence its natural frequency gets larger. Moreover, it is observed that the distribution type of CNTs significantly affects the vibrational behavior of plate. The results also show that when the mid-plane of plate is CNT-rich, the natural frequency takes its minimum value and the hardening-type response of plate is intensified.

  11. Free Vibration of Sandwich Plates and Shells by Using Zig-Zag Function

    Directory of Open Access Journals (Sweden)

    S. Brischetto

    2009-01-01

    Full Text Available This paper analyses the free vibration response of sandwich curved and flat panels by introducing the zig-zag function (—1kζk (ZZF in the displacement models of classical and higher order two-dimensional shell theories. The main advantage of ZZF is the introduction of a discontinuity in the first derivative, zig-zag effect, of the displacements distribution with correspondence to the core/faces interfaces. Results including and discarding ZZF are compared. Several values of face-to-core stiffness ratio (FCSR and geometrical plate/shell parameters have been analyzed. Both fundamental vibration modes and those corresponding to high wave numbers are considered in the analysis. It is concluded that: (1 ZZF is highly recommended in the free vibration analysis of sandwich plates and shells; (2 the use of ZZF makes the error almost independent by FCSR parameter; (3 ZZF is easy to implement and its use should be preferred with respect to other `more cumbersome' refined theories.

  12. correlation between cytology and thyroid function test

    African Journals Online (AJOL)

    Damary

    2006-10-01

    Oct 1, 2006 ... Results: Forty two patients had their thyroid profiles done and the results were correlated with. FNA diagnosis. Majority of patients had nodular goiter ... diagnosis of non-diagnostic sample had euthyroidism while 2.4% each with papillary carcinoma, ... of a nodule raises suspicion for cancer, only 5% are.

  13. correlation between cytology and thyroid function test

    African Journals Online (AJOL)

    Damary

    2006-10-01

    Oct 1, 2006 ... euthyroidism, hyperthyroidism and hypothyroidism. Fine needle aspiration (FNA) is the diagnostic test of choice in determining whether a nodule is benign or malignant. Objective: To correlate hormonal levels to FNA cytologic findings. Design: A cross-sectional study. Setting: Kenyatta National Hospital ...

  14. Low intensity, high frequency vibration training to improve musculoskeletal function in a mouse model of Duchenne muscular dystrophy.

    Directory of Open Access Journals (Sweden)

    Susan A Novotny

    Full Text Available The objective of the study was to determine if low intensity, high frequency vibration training impacted the musculoskeletal system in a mouse model of Duchenne muscular dystrophy, relative to healthy mice. Three-week old wildtype (n = 26 and mdx mice (n = 22 were randomized to non-vibrated or vibrated (45 Hz and 0.6 g, 15 min/d, 5 d/wk groups. In vivo and ex vivo contractile function of the anterior crural and extensor digitorum longus muscles, respectively, were assessed following 8 wks of vibration. Mdx mice were injected 5 and 1 days prior to sacrifice with Calcein and Xylenol, respectively. Muscles were prepared for histological and triglyceride analyses and subcutaneous and visceral fat pads were excised and weighed. Tibial bones were dissected and analyzed by micro-computed tomography for trabecular morphometry at the metaphysis, and cortical geometry and density at the mid-diaphysis. Three-point bending tests were used to assess cortical bone mechanical properties and a subset of tibiae was processed for dynamic histomorphometry. Vibration training for 8 wks did not alter trabecular morphometry, dynamic histomorphometry, cortical geometry, or mechanical properties (P ≥ 0.34. Vibration did not alter any measure of muscle contractile function (P ≥ 0.12; however the preservation of muscle function and morphology in mdx mice indicates vibration is not deleterious to muscle lacking dystrophin. Vibrated mice had smaller subcutaneous fat pads (P = 0.03 and higher intramuscular triglyceride concentrations (P = 0.03. These data suggest that vibration training at 45 Hz and 0.6 g did not significantly impact the tibial bone and the surrounding musculature, but may influence fat distribution in mice.

  15. Effects of functional group mass variance on vibrational properties and thermal transport in graphene

    Science.gov (United States)

    Lindsay, L.; Kuang, Y.

    2017-03-01

    Intrinsic thermal resistivity critically depends on features of phonon dispersions dictated by harmonic interatomic forces and masses. Here we present the effects of functional group mass variance on vibrational properties and thermal conductivity (κ ) of functionalized graphene from first-principles calculations. We use graphane, a buckled graphene backbone with covalently bonded hydrogen atoms on both sides, as the base material and vary the mass of the hydrogen atoms to simulate the effect of mass variance from other functional groups. We find nonmonotonic behavior of κ with increasing mass of the functional group and an unusual crossover from acoustic-dominated to optic-dominated thermal transport behavior. We connect this crossover to changes in the phonon dispersion with varying mass which suppress acoustic phonon velocities, but also give unusually high velocity optic modes. Further, we show that out-of-plane acoustic vibrations contribute significantly more to thermal transport than in-plane acoustic modes despite breaking of a reflection-symmetry-based scattering selection rule responsible for their large contributions in graphene. This work demonstrates the potential for manipulation and engineering of thermal transport properties in two-dimensional materials toward targeted applications.

  16. Free-vibration characteristics and correlation of a Space Station split-blanket solar array

    Science.gov (United States)

    Carney, Kelly S.; Shaker, Francis J.

    1989-01-01

    Two methods for studying the free-vibration characteristics of a large split-blanket solar array in a zero-g cantilevered configuration are presented. The zero-g configuration corresponds to an on-orbit configuration of the Space Station solar array. The first method applies the equations of continuum mechanics to determine the natural frequencies of the array; the second uses the finite element method program, MSC/NASTRAN. The stiffness matrix from the NASTRAN solution was found to be erroneously grounded. The results from the two methods are compared. It is concluded that the grounding does not seriously compromise the solution to the elastic modes of the solar array. However, the correct rigid body modes need to be icluded to obtain the correct dynamic model.

  17. Free Vibration of Size-Dependent Functionally Graded Microbeams Based on the Strain Gradient Reddy Beam Theory

    Science.gov (United States)

    Ansari, R.; Gholami, R.; Sahmani, S.

    2014-09-01

    The microscale vibration characteristics of microbeams made of functionally graded materials (FGMs) are investigated based on the strain gradient Reddy beam theory capable of capturing the size effect. The non-classical governing differential equations, together with the corresponding boundary conditions, are obtained using Hamilton's principle. Then, the free vibration problem of simply supported FGM microbeams is solved using the Navier solution. The natural frequencies of FGM microbeams are calculated corresponding to a wide range of dimensionless length scale parameters, material property gradient indices, and aspect ratios to illustrate the influences of size effect on the vibrational response of FGM microbeams.

  18. Semi-analytical Vibration Characteristics of Rotating Timoshenko Beams Made of Functionally Graded Materials

    Directory of Open Access Journals (Sweden)

    Farzad Ebrahimia

    Full Text Available AbstractFree vibration analysis of rotating functionally graded (FG thick Timoshenko beams is presented. The material properties of FG beam vary along the thickness direction of the constituents according to power law model. Governing equations are derived through Hamilton's principle and they are solved applying differential transform method. The good agreement between the results of this article and those available in literature validated the presented approach. The emphasis is placed on investigating the effect of several beam parameters such as constituent volume fractions, slenderness ratios, rotational speed and hub radius on natural frequencies and mode shapes of the rotating thick FG beam.

  19. Vibrational Spectra and Density functional calculation of Organic Nonlinear Optic Crystal p-Amino Acetanilide

    Energy Technology Data Exchange (ETDEWEB)

    Saja, D; Joe, I Hubert; Jayakumar, V S [Department of Physics, Mar Ivanios College, Thiruvananthapuram-695015, Kerala (India)

    2006-01-01

    The NIR-FT Raman, FT-IR spectral analysis of potential NLO material P-Amino Acetanilide is carried out by density functional computations. The optimized geometry shows that NH2 and NHCOCH3 groups substituted in para position of phenyl ring are non-planar which predicts maximum conjugation of molecule with donor and acceptor groups. Vibrational analysis reveals that simultaneous IR and Raman activation of the phenyl ring modes also provide evidence for the charge transfer interaction between the donors and the acceptor can make the molecule highly polarized and the intra molecular charge transfer interaction must be responsible for the NLO properties of PAA.

  20. Finite Element Modelling for Static and Free Vibration Response of Functionally Graded Beam

    OpenAIRE

    Khan, Ateeb Ahmad; Naushad Alam, M.; Rahman, Najeeb ur; Wajid, Mustafa

    2016-01-01

    Abstract A 1D Finite Element model for static response and free vibration analysis of functionally graded material (FGM) beam is presented in this work. The FE model is based on efficient zig-zag theory (ZIGT) with two noded beam element having four degrees of freedom at each node. Linear interpolation is used for the axial displacement and cubic hermite interpolation is used for the deflection. Out of a large variety of FGM systems available, Al/SiC and Ni/Al2O3 metal/ceramic FGM system has ...

  1. Molecular orbital studies (hardness, chemical potential, electrophilicity, and first electron excitation), vibrational investigation and theoretical NBO analysis of 2-hydroxy-5-bromobenzaldehyde by density functional method

    Science.gov (United States)

    Nataraj, A.; Balachandran, V.; Karthick, T.

    2013-01-01

    In this work, the vibrational spectral analysis was carried out using Raman and infrared spectroscopy in the range 4000-400 cm-1 and 3500-100 cm-1, respectively, for the 2-hydroxy-5-bromobenzaldehyde (HBB). The experimental spectra were recorded in the solid phase. The fundamental vibrational frequencies and intensity of vibrational bands were evaluated using density functional theory (DFT) with the standard B3LYP/6-311G++(d,p) method and basis set. Normal co-ordinate calculations were performed with the DFT force field corrected by a recommended set of scaling factors yielding fairly good agreement between observed and calculated frequencies. Simulation of infrared and Raman spectra utilizing the results of these calculations led to excellent overall agreement with the observed spectral patterns. The complete assignments were performed on the basis of the potential energy distribution (PED) of the vibrational modes, calculated with scaled quantum mechanics (SQM) method. The optimized geometric parameters (bond lengths and bond angles) were compared with experimental values of related compound. The stability of the molecule arising from hyper conjugative interactions and the charge delocalization has been analyzed using natural bond orbital (NBO) analysis. The directly calculated ionization potential (IP), electron affinity (EA), electronegativity (χ), electrophilicity index (ω), hardness (η), chemical potential (μ), and first electron excitation (τ) are all correlated with the HOMO and LUMO energies with their molecular properties. These show that charge transfer occurs within the molecule. Furthermore, molecular electrostatic potential maps (MESP) of the molecule have been calculated.

  2. Functional magnetic resonance imaging of the human spinal cord during vibration stimulation of different dermatomes.

    Science.gov (United States)

    Lawrence, Jane M; Stroman, Patrick W; Kollias, Spyros S

    2008-03-01

    We investigated noninvasively areas of the healthy human spinal cord that become active in response to vibration stimulation of different dermatomes using functional magnetic resonance imaging (fMRI). The objectives of this study were to: (1) examine the patterns of consistent activity in the spinal cord during vibration stimulation of the skin, and (2) investigate the rostrocaudal distribution of active pixels when stimulation was applied to different dermatomes. FMRI of the cervical and lumbar spinal cord of seven healthy human subjects was carried out during vibration stimulation of six different dermatomes. In separate experiments, vibratory stimulation (about 50 Hz) was applied to the right biceps, wrist, palm, patella, Achilles tendon and left palm. The segmental distribution of activity observed by fMRI corresponded well with known spinal cord neuroanatomy. The peak number of active pixels was observed at the expected level of the spinal cord with some activity in the adjacent segments. The rostrocaudal distribution of activity was observed to correspond to the dermatome being stimulated. Cross-sectional localization of activity was primarily in dorsal areas but also spread into ventral and intermediate areas of the gray matter and a distinct laterality ipsilateral to the stimulated limb was not observed. We demonstrated that fMRI can detect a dermatome-dependent pattern of spinal cord activity during vibratory stimulation and can be used as a passive stimulus for the noninvasive assessment of the functional integrity of the human spinal cord. Demonstration of cross-sectional selectivity of the activation awaits further methodological and experimental refinements.

  3. Functional magnetic resonance imaging of the human spinal cord during vibration stimulation of different dermatomes

    Energy Technology Data Exchange (ETDEWEB)

    Lawrence, Jane M. [University Hospital of Zurich, Institute of Neuroradiology, Zurich (Switzerland); University of Manitoba, Department of Physiology, Winnipeg, Manitoba (Canada); Stroman, Patrick W. [Queen' s University, Department of Diagnostic Radiology, Kingston, Ontario (Canada); Kollias, Spyros S. [University Hospital of Zurich, Institute of Neuroradiology, Zurich (Switzerland)

    2008-03-15

    We investigated noninvasively areas of the healthy human spinal cord that become active in response to vibration stimulation of different dermatomes using functional magnetic resonance imaging (fMRI). The objectives of this study were to: (1) examine the patterns of consistent activity in the spinal cord during vibration stimulation of the skin, and (2) investigate the rostrocaudal distribution of active pixels when stimulation was applied to different dermatomes. FMRI of the cervical and lumbar spinal cord of seven healthy human subjects was carried out during vibration stimulation of six different dermatomes. In separate experiments, vibratory stimulation (about 50 Hz) was applied to the right biceps, wrist, palm, patella, Achilles tendon and left palm. The segmental distribution of activity observed by fMRI corresponded well with known spinal cord neuroanatomy. The peak number of active pixels was observed at the expected level of the spinal cord with some activity in the adjacent segments. The rostrocaudal distribution of activity was observed to correspond to the dermatome being stimulated. Cross-sectional localization of activity was primarily in dorsal areas but also spread into ventral and intermediate areas of the gray matter and a distinct laterality ipsilateral to the stimulated limb was not observed. We demonstrated that fMRI can detect a dermatome-dependent pattern of spinal cord activity during vibratory stimulation and can be used as a passive stimulus for the noninvasive assessment of the functional integrity of the human spinal cord. Demonstration of cross-sectional selectivity of the activation awaits further methodological and experimental refinements. (orig.)

  4. The effect of vibration therapy on spasticity and motor function in children with cerebral palsy: a randomized controlled trial.

    Science.gov (United States)

    Katusic, Ana; Alimovic, Sonja; Mejaski-Bosnjak, Vlatka

    2013-01-01

    As the motor system relies heavily on deep sensory stimulation, recent studies have investigated the effect of vibration stimuli. Although research suggests a positive influence of vibration on motor performance in individuals with neurological disorders, there are very limited numbers of studies in children with cerebral palsy (CP). The objective of the present study was to evaluate the effects of sound wave vibration therapy on spasticity and motor function in children with CP. In this 3-month trial, 89 children with spastic CP were randomized to either continue their physiotherapy treatment (PT) or to receive vibration therapy twice a week in addition to their PT program. The randomization was stratified according to the Gross Motor Function Classification System (GMFCS) level to ensure similar functional ability. Children were assessed at baseline and after the 12-week intervention period. The outcomes measured were spasticity level as assessed by Modified Modified Ashworth Scale (MMAS) and gross motor function as assessed by Gross Motor Function Measurement (GMFM-88). Subgroup analysis was performed for the GMFCS. Significant differences between groups were detected for changes in spasticity level and gross motor function after the three months intervention. In conclusion, vibration therapy may decrease spasticity and improve motor performance in children with CP. The results of the present trial serve as valuable input for evidence-based treatments in paediatric neurorehabilitation.

  5. Size-dependent vibrations of post-buckled functionally graded Mindlin rectangular microplates

    Directory of Open Access Journals (Sweden)

    R. Ansari

    Full Text Available In this paper, the free vibration behavior of post-buckled functionally graded (FG Mindlin rectangular microplates are described based on the modified couple stress theory (MCST. This theory enables the consideration of the size-effect through introducing material length scale parameters. The FG microplates made of a mixture of metal and ceramic are considered whose volume fraction of components is expressed by a power law function. By means of Hamilton's principle, the nonlinear governing equations and associated boundary conditions are derived for FG micro-plates in the postbuckling domain. The governing equations and boundary conditions are then discretized by using the generalized differential quadrature (GDQ method before solving numerically by the pseudo-arclength continuation technique. In the solution procedure, the postbuckling problem of microplates is investigated first. Afterwards, the free vibration of microplates around the buckled configuration is discussed. The effects of dimensionless length scale parameter, material gradient index and aspect ratio on the on the postbuckling path and frequency of FG microplates subject to arbitrary edge supports are thoroughly discussed.

  6. The flux-flux correlation function for anharmonic barriers

    NARCIS (Netherlands)

    Goussev, Arseni; Schubert, Roman; Waalkens, Holger; Wiggins, Stephen

    2010-01-01

    The flux-flux correlation function formalism is a standard and widely used approach for the computation of reaction rates. In this paper we introduce a method to compute the classical and quantum flux-flux correlation functions for anharmonic barriers essentially analytically through the use of the

  7. On the application of correlation function matrices in OMA

    DEFF Research Database (Denmark)

    Brincker, Rune

    2017-01-01

    In this paper the theoretical solution for the correlation function matrix of the random response of a structural system is re-visited. It is shown that using the classical definition of the correlation functions, the row space is defined by the mode shapes of the system, whereas the column space...

  8. Size variation of infrared vibrational spectra from molecules to hydrogenated diamond nanocrystals: a density functional theory study

    Directory of Open Access Journals (Sweden)

    Mudar A. Abdulsattar

    2013-04-01

    Full Text Available Infrared spectra of hydrogenated diamond nanocrystals of one nanometer length are calculated by ab initio methods. Positions of atoms are optimized via density functional theory at the level of the generalized gradient approximation of Perdew, Burke and Ernzerhof (PBE using 3-21G basis states. The frequencies in the vibrational spectrum are analyzed against reduced masses, force constants and intensities of vibration. The spectrum can be divided into two regions depending on the properties of the vibrations or the gap separating them. In the first region, results show good matching to several experimentally obtained lines. The 500 cm−1 broad-peak acoustical branch region is characterized by pure C–C vibrations. The optical branch is centered at 1185 cm−1. Calculations show that several C–C vibrations are mixed with some C–H vibrations in the first region. In the second region the matching also extends to C–H vibration frequencies that include different modes such as symmetric, asymmetric, wagging, scissor, rocking and twisting modes. In order to complete the picture of the size dependence of the vibrational spectra, we analyzed the spectra of ethane and adamantane. The present analysis shows that acoustical and optical branches in diamond nanocrystals approach each other and collapse at 963 cm−1 in ethane. Variation of the highest reduced-mass-mode C–C vibrations from 1332 cm−1 of bulk diamond to 963 cm−1 for ethane (red shift is shown. The analysis also shows the variation of the radial breathing mode from 0 cm−1 of bulk diamond to 963 cm−1 for ethane (blue shift. These variations compare well with experiment. Experimentally, the above-mentioned modes appear shifted from their exact positions due to overlap with neighboring modes.

  9. A Simple Local Correlation Energy Functional for Spherically Confined Atoms from ab Initio Correlation Energy Density.

    Science.gov (United States)

    Vyboishchikov, Sergei F

    2017-09-03

    We propose a simple method of calculating the electron correlation energy density ec (r) and the correlation potential Vc (r) from second-order Møller-Plesset amplitudes and its generalization for the case of a configuration interaction wavefunction, based on Nesbet's theorem. The correlation energy density obtained by this method for free and spherically confined Be and He atoms was employed to fit a local analytical density functional based on Wigner's functional. The functional is capable of producing a strong increase in the correlation energy with decreasing confined radius for the Be atom. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Holographic correlation functions in Critical Gravity

    Science.gov (United States)

    Anastasiou, Giorgos; Olea, Rodrigo

    2017-11-01

    We compute the holographic stress tensor and the logarithmic energy-momentum tensor of Einstein-Weyl gravity at the critical point. This computation is carried out performing a holographic expansion in a bulk action supplemented by the Gauss-Bonnet term with a fixed coupling. The renormalization scheme defined by the addition of this topological term has the remarkable feature that all Einstein modes are identically cancelled both from the action and its variation. Thus, what remains comes from a nonvanishing Bach tensor, which accounts for non-Einstein modes associated to logarithmic terms which appear in the expansion of the metric. In particular, we compute the holographic 1-point functions for a generic boundary geometric source.

  11. Extension and Application of High-Speed Digital Imaging Analysis Via Spatiotemporal Correlation and Eigenmode Analysis of Vocal Fold Vibration Before and After Polyp Excision.

    Science.gov (United States)

    Wang, Jun-Sheng; Olszewski, Emily; Devine, Erin E; Hoffman, Matthew R; Zhang, Yu; Shao, Jun; Jiang, Jack J

    2016-08-01

    To evaluate the spatiotemporal correlation of vocal fold vibration using eigenmode analysis before and after polyp removal and explore the potential clinical relevance of spatiotemporal analysis of correlation length and entropy as quantitative voice parameters. We hypothesized that increased order in the vibrating signal after surgical intervention would decrease the eigenmode-based entropy and increase correlation length. Prospective case series. Forty subjects (23 males, 17 females) with unilateral (n = 24) or bilateral (n = 16) polyps underwent polyp removal. High-speed videoendoscopy was performed preoperatively and 2 weeks postoperatively. Spatiotemporal analysis was performed to determine entropy, quantification of signal disorder, correlation length, size, and spatially ordered structure of vocal fold vibration in comparison to full spatial consistency. The signal analyzed consists of the vibratory pattern in space and time derived from the high-speed video glottal area contour. Entropy decreased (Z = -3.871, P < .001) and correlation length increased (t = -8.913, P < .001) following polyp excision. The intraclass correlation coefficients (ICC) for correlation length and entropy were 0.84 and 0.93. Correlation length and entropy are sensitive to mass lesions. These parameters could potentially be used to augment subjective visualization after polyp excision when evaluating procedural efficacy. © The Author(s) 2016.

  12. Self-calibrated correlation imaging with k-space variant correlation functions.

    Science.gov (United States)

    Li, Yu; Edalati, Masoud; Du, Xingfu; Wang, Hui; Cao, Jie J

    2017-07-07

    Correlation imaging is a previously developed high-speed MRI framework that converts parallel imaging reconstruction into the estimate of correlation functions. The presented work aims to demonstrate this framework can provide a speed gain over parallel imaging by estimating k-space variant correlation functions. Because of Fourier encoding with gradients, outer k-space data contain higher spatial-frequency image components arising primarily from tissue boundaries. As a result of tissue-boundary sparsity in the human anatomy, neighboring k-space data correlation varies from the central to the outer k-space. By estimating k-space variant correlation functions with an iterative self-calibration method, correlation imaging can benefit from neighboring k-space data correlation associated with both coil sensitivity encoding and tissue-boundary sparsity, thereby providing a speed gain over parallel imaging that relies only on coil sensitivity encoding. This new approach is investigated in brain imaging and free-breathing neonatal cardiac imaging. Correlation imaging performs better than existing parallel imaging techniques in simulated brain imaging acceleration experiments. The higher speed enables real-time data acquisition for neonatal cardiac imaging in which physiological motion is fast and non-periodic. With k-space variant correlation functions, correlation imaging gives a higher speed than parallel imaging and offers the potential to image physiological motion in real-time. Magn Reson Med, 2017. © 2017 International Society for Magnetic Resonance in Medicine. © 2017 International Society for Magnetic Resonance in Medicine.

  13. Magnetic field shift due to mechanical vibration in functional magnetic resonance imaging.

    Science.gov (United States)

    Foerster, Bernd U; Tomasi, Dardo; Caparelli, Elisabeth C

    2005-11-01

    Mechanical vibrations of the gradient coil system during readout in echo-planar imaging (EPI) can increase the temperature of the gradient system and alter the magnetic field distribution during functional magnetic resonance imaging (fMRI). This effect is enhanced by resonant modes of vibrations and results in apparent motion along the phase encoding direction in fMRI studies. The magnetic field drift was quantified during EPI by monitoring the resonance frequency interleaved with the EPI acquisition, and a novel method is proposed to correct the apparent motion. The knowledge on the frequency drift over time was used to correct the phase of the k-space EPI dataset. Since the resonance frequency changes very slowly over time, two measurements of the resonance frequency, immediately before and after the EPI acquisition, are sufficient to remove the field drift effects from fMRI time series. The frequency drift correction method was tested "in vivo" and compared to the standard image realignment method. The proposed method efficiently corrects spurious motion due to magnetic field drifts during fMRI. (c) 2005 Wiley-Liss, Inc.

  14. Free vibration of functionally graded carbon-nanotube-reinforced composite plates with cutout

    Directory of Open Access Journals (Sweden)

    Mostafa Mirzaei

    2016-04-01

    Full Text Available During the past five years, it has been shown that carbon nanotubes act as an exceptional reinforcement for composites. For this reason, a large number of investigations have been devoted to analysis of fundamental, structural behavior of solid structures made of carbon-nanotube-reinforced composites (CNTRC. The present research, as an extension of the available works on the vibration analysis of CNTRC structures, examines the free vibration characteristics of plates containing a cutout that are reinforced with uniform or nonuniform distribution of carbon nanotubes. The first-order shear deformation plate theory is used to estimate the kinematics of the plate. The solution method is based on the Ritz method with Chebyshev basis polynomials. Such a solution method is suitable for arbitrary in-plane and out-of-plane boundary conditions of the plate. It is shown that through a functionally graded distribution of carbon nanotubes across the thickness of the plate, the fundamental frequency of a rectangular plate with or without a cutout may be enhanced. Furthermore, the frequencies are highly dependent on the volume fraction of carbon nanotubes and may be increased upon using more carbon nanotubes as reinforcement.

  15. 42 CFR 476.86 - Correlation of Title XI functions with Title XVIII functions.

    Science.gov (United States)

    2010-10-01

    ... 42 Public Health 4 2010-10-01 2010-10-01 false Correlation of Title XI functions with Title XVIII functions. 476.86 Section 476.86 Public Health CENTERS FOR MEDICARE & MEDICAID SERVICES, DEPARTMENT OF...) Qio Review Functions § 476.86 Correlation of Title XI functions with Title XVIII functions. (a...

  16. On the correlation of output rate and aerodynamic characteristics in vibrating-mesh-based aqueous aerosol delivery.

    Science.gov (United States)

    Beck-Broichsitter, Moritz; Oesterheld, Nina; Knuedeler, Marie-Christine; Seeger, Werner; Schmehl, Thomas

    2014-01-30

    Aerosolization of aqueous formulations is of special interest for inhalative drug delivery, where an adequate nebulizer performance represents a prerequisite for improving pulmonary therapy. The present study investigated the interplay of output rate and aerodynamic characteristics of different excipient-based formulations and its impact on the atomization process by vibrating-mesh technology (i.e. eFlow(®)rapid). Output rate and aerodynamic characteristics were manipulated by both dynamic viscosity and conductivity of the applied formulation. Supplementation with sucrose and sodium chloride caused a decline (down to ∼0.2 g/min) and elevation (up to ∼1.0 g/min) of the nebulizer output rate, respectively. However, both excipients were capable of decreasing the aerodynamic diameter of produced aerosol droplets from >7.0 μm to values of ≤5.0 μm. Thus, the correlation of output rate and aerodynamic characteristics resulted in linear fits of opposite slopes (R(2)>0.85). Finally, the overall number of delivered aerosol droplets per time was almost constant for sucrose (≤1×10(8) droplets/s), while for sodium chloride a concentration-dependent increase was observed (up to ∼3×10(8) droplets/s). Overall, the current findings illustrated the influence of formulation parameters on the aerosolization process performed by vibrating-mesh technology. Moreover, concentration and charge distribution of aerosol populations supposedly modify the final characteristics of the delivered aerosols. Copyright © 2013 Elsevier B.V. All rights reserved.

  17. Free vibration of functionally graded parabolic and circular panels with general boundary conditions

    Directory of Open Access Journals (Sweden)

    Zhang Hong

    2017-01-01

    Full Text Available The purpose of this content is to investigate the free vibration of functionally graded parabolic and circular panels with general boundary conditions by using the Fourier-Ritz method. The first-order shear deformation theory is adopted to consider the effects of the transverse shear and rotary inertia of the panel structures. The functionally graded panel structures consist of ceramic and metal which are assumed to vary continuously through the thickness according to the power-law distribution, and two types of power-law distributions are considered for the ceramic volume fraction. The improved Fourier series method is applied to construct the new admissible function of the panels to surmount the weakness of the relevant discontinuities with the original displacement and its derivatives at the boundaries while using the traditional Fourier series method. The boundary spring technique is adopted to simulate the general boundary condition. The unknown coefficients appearing in the admissible function are determined by using the Ritz procedure based on the energy functional of the panels. The numerical results show the present method has good convergence, reliability and accuracy. Some new results for functionally graded parabolic and circular panels with different material distributions and boundary conditions are provided, which may serve as benchmark solutions.

  18. Current correlation functions of ideal Fermi gas at finite temperature

    Indian Academy of Sciences (India)

    The results obtained for transverse and longitudinal functions are presented for different values of wavelength and frequency at different temperatures. The diamagnetic susceptibility as a function of temperature has also been obtained from transverse current correlation function as its long wavelength and static limit, which ...

  19. Effect of impulse vibration and noise on vasomotor function of peripheral blood vessels among pneumatic forge hammer operators.

    Science.gov (United States)

    Solecki, L

    1995-01-01

    An evaluation of the effect of impulse vibration and noise on vasomotor function of blood vessels among pneumatic forge hammer operators has been presented based on thermal tests (cooling). The study covered the following groups of workers; pneumatic forge hammer operators (I), pneumatic forging hammer operators (II), hammer operator's assistants (III), operators of forging presses and machines (IV) and the control group. The results of the study showed that in groups I and III it was impulse noise not vibration that caused changes in the functioning of peripheral blood vessels.

  20. On the use of two-time correlation functions for X-ray photon correlation spectroscopy data analysis.

    Science.gov (United States)

    Bikondoa, Oier

    2017-04-01

    Multi-time correlation functions are especially well suited to study non-equilibrium processes. In particular, two-time correlation functions are widely used in X-ray photon correlation experiments on systems out of equilibrium. One-time correlations are often extracted from two-time correlation functions at different sample ages. However, this way of analysing two-time correlation functions is not unique. Here, two methods to analyse two-time correlation functions are scrutinized, and three illustrative examples are used to discuss the implications for the evaluation of the correlation times and functional shape of the correlations.

  1. Size-dependent free vibrations of electrostatically predeformed functionally graded micro-cantilevers

    Science.gov (United States)

    Tahani, Masoud; Batra, Romesh C.; Askari, Amir R.

    2015-07-01

    Size-dependent free vibration analysis of cantilever-type resonant micro-sensors made of non-homogeneous functionally graded materials with two material phases is the objective of the present paper. For this aim, the modified couple stress theory together with the Euler-Bernoulli beam model is considered, and the size-dependent equation of motion which accounts for the non-linear and distributed electrostatic force is derived using the Hamilton's principle. The natural frequencies of the system are extracted using the Galerkin weighted residual method. It is found that the fundamental frequency of the system is decreased with an increase of applied voltage and becomes zero when the input voltage reaches the pull-in voltage of the system. The findings of the present paper are compared and validated by available results in the literature and excellent agreements between them are observed.

  2. Raman spectra of vibrational and librational modes in methane clathrate hydrates using density functional theory

    Science.gov (United States)

    Ramya, K. R.; Pavan Kumar, G. V.; Venkatnathan, Arun

    2012-05-01

    The sI type methane clathrate hydrate lattice is formed during the process of nucleation where methane gas molecules are encapsulated in the form of dodecahedron (512CH4) and tetrakaidecahedron (51262CH4) water cages. The characterization of change in the vibrational modes which occur on the encapsulation of CH4 in these cages plays a key role in understanding the formation of these cages and subsequent growth to form the hydrate lattice. In this present work, we have chosen the density functional theory (DFT) using the dispersion corrected B97-D functional to characterize the Raman frequency vibrational modes of CH4 and surrounding water molecules in these cages. The symmetric and asymmetric C-H stretch in the 512CH4 cage is found to shift to higher frequency due to dispersion interaction of the encapsulated CH4 molecule with the water molecules of the cages. However, the symmetric and asymmetric O-H stretch of water molecules in 512CH4 and 51262CH4 cages are shifted towards lower frequency due to hydrogen bonding, and interactions with the encapsulated CH4 molecules. The CH4 bending modes in the 512CH4 and 51262CH4 cages are blueshifted, though the magnitude of the shifts is lower compared to modes in the high frequency region which suggests bending modes are less affected on encapsulation of CH4. The low frequency librational modes which are collective motion of the water molecules and CH4 in these cages show a broad range of frequencies which suggests that these modes largely contribute to the formation of the hydrate lattice.

  3. A Correlation of Symptomatology with Lung Function in Patients with ...

    African Journals Online (AJOL)

    2017-06-28

    Jun 28, 2017 ... and abnormal spirometry (χ2 = 72, P = 0.0001). Conclusion: There is a significant correlation between nasal symptom score and reduced lung volumes in patients with allergic rhinosinusitis even in the absence of asthma. KEYWORDS: Allergic rhinosinusitis, correlation, lung function. Department of.

  4. Low-mode averaging for baryon correlation functions

    CERN Document Server

    Giusti, Leonardo; Giusti, Leonardo; Necco, Silvia

    2005-01-01

    The low-mode averaging technique is a powerful tool for reducing large fluctuations in correlation functions due to low-mode eigenvalues of the Dirac operator. In this work we propose a generalization to baryons and test our method on two-point correlation functions of left-handed nucleons, computed with quenched Neuberger fermions on a lattice with extension L=1.5 fm. We show that the statistical fluctuations can be reduced and the baryon signal significantly improved.

  5. Using frequency response functions to manage image degradation from equipment vibration in the Daniel K. Inouye Solar Telescope

    Science.gov (United States)

    McBride, William R.; McBride, Daniel R.

    2016-08-01

    The Daniel K Inouye Solar Telescope (DKIST) will be the largest solar telescope in the world, providing a significant increase in the resolution of solar data available to the scientific community. Vibration mitigation is critical in long focal-length telescopes such as the Inouye Solar Telescope, especially when adaptive optics are employed to correct for atmospheric seeing. For this reason, a vibration error budget has been implemented. Initially, the FRFs for the various mounting points of ancillary equipment were estimated using the finite element analysis (FEA) of the telescope structures. FEA analysis is well documented and understood; the focus of this paper is on the methods involved in estimating a set of experimental (measured) transfer functions of the as-built telescope structure for the purpose of vibration management. Techniques to measure low-frequency single-input-single-output (SISO) frequency response functions (FRF) between vibration source locations and image motion on the focal plane are described. The measurement equipment includes an instrumented inertial-mass shaker capable of operation down to 4 Hz along with seismic accelerometers. The measurement of vibration at frequencies below 10 Hz with good signal-to-noise ratio (SNR) requires several noise reduction techniques including high-performance windows, noise-averaging, tracking filters, and spectral estimation. These signal-processing techniques are described in detail.

  6. Contribution to viscosity from the structural relaxation via the atomic scale Green-Kubo stress correlation function.

    Science.gov (United States)

    Levashov, V A

    2017-11-14

    We studied the connection between the structural relaxation and viscosity for a binary model of repulsive particles in the supercooled liquid regime. The used approach is based on the decomposition of the macroscopic Green-Kubo stress correlation function into the correlation functions between the atomic level stresses. Previously we used the approach to study an iron-like single component system of particles. The role of vibrational motion has been addressed through the demonstration of the relationship between viscosity and the shear waves propagating over large distances. In our previous considerations, however, we did not discuss the role of the structural relaxation. Here we suggest that the contribution to viscosity from the structural relaxation can be taken into account through the consideration of the contribution from the atomic stress auto-correlation term only. This conclusion, however, does not mean that only the auto-correlation term represents the contribution to viscosity from the structural relaxation. Previously the role of the structural relaxation for viscosity has been addressed through the considerations of the transitions between inherent structures and within the mode-coupling theory by other authors. In the present work, we study the structural relaxation through the considerations of the parent liquid and the atomic level stress correlations in it. The comparison with the results obtained on the inherent structures also is made. Our current results suggest, as our previous observations, that in the supercooled liquid regime, the vibrational contribution to viscosity extends over the times that are much larger than the Einstein's vibrational period and much larger than the times that it takes for the shear waves to propagate over the model systems. Besides addressing the atomic level shear stress correlations, we also studied correlations between the atomic level pressure elements.

  7. Contribution to viscosity from the structural relaxation via the atomic scale Green-Kubo stress correlation function

    Science.gov (United States)

    Levashov, V. A.

    2017-11-01

    We studied the connection between the structural relaxation and viscosity for a binary model of repulsive particles in the supercooled liquid regime. The used approach is based on the decomposition of the macroscopic Green-Kubo stress correlation function into the correlation functions between the atomic level stresses. Previously we used the approach to study an iron-like single component system of particles. The role of vibrational motion has been addressed through the demonstration of the relationship between viscosity and the shear waves propagating over large distances. In our previous considerations, however, we did not discuss the role of the structural relaxation. Here we suggest that the contribution to viscosity from the structural relaxation can be taken into account through the consideration of the contribution from the atomic stress auto-correlation term only. This conclusion, however, does not mean that only the auto-correlation term represents the contribution to viscosity from the structural relaxation. Previously the role of the structural relaxation for viscosity has been addressed through the considerations of the transitions between inherent structures and within the mode-coupling theory by other authors. In the present work, we study the structural relaxation through the considerations of the parent liquid and the atomic level stress correlations in it. The comparison with the results obtained on the inherent structures also is made. Our current results suggest, as our previous observations, that in the supercooled liquid regime, the vibrational contribution to viscosity extends over the times that are much larger than the Einstein's vibrational period and much larger than the times that it takes for the shear waves to propagate over the model systems. Besides addressing the atomic level shear stress correlations, we also studied correlations between the atomic level pressure elements.

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

    Science.gov (United States)

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

    2014-07-11

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

  9. FT-IR and Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometries and atomic charges of uracil and 5-methyluracil (thymine)

    Science.gov (United States)

    Singh, J. S.

    2015-02-01

    FT-IR (400-4000 cm-1) and Raman spectra (200-4000 cm-1) of uracil and 5-methyluracil (thymine) have been recorded and analyzed. The optimized molecular geometries, atomic polar tensor (APT) charges and vibrational characteristics have been studied theoretically using restricted Hartree-Fock (RHF) and density functional theory (DFT) methods. Using the Becke's exchange in conjunction with Lee-Yang-Parr's correlation functional and Becke's three-parameter hybrid method (B3LYP), the ab initio and DFT calculations were carried out to study the optimized molecular fundamental vibrational frequencies for uracil and 5-methyluracil (thymine) by employing Gaussian-03 program. The fundamental vibrational frequencies along with their corresponding intensities in IR and Raman activities and depolarization ratios of the Raman lines have also been calculated using the RHF and DFT methods employing different basis sets. In quantum chemical calculations, most of the B3LYP/6-311++G∗∗ vibrational frequencies are in excellent agreement with the available experimental assignments and helped to propose in the reassignments of some missing frequencies in experimental study. Assuming under the Cs point group for both molecules, the distribution of normal mode of vibrations between the two species as planar (a‧) and non-planar (a″) for all 39 normal vibrational modes of 5-methyluracil are given by 26a‧ + 13a″, of which 30 modes (21a‧ + 9a″) correspond to the uracil moiety and 9 modes (5a‧ + 4a″) to the CH3 group. Consistent assignments have been made for the internal modes of CH3 group, especially for the anti-symmetric CH3 stretching and bending modes. A possible explanation could be the planarity of pyrimidine ring and non-planarity at carbon site of methyl group which might cause the splitting of frequencies including three components due to the substitution of CH3 group at the site of C5 atom on pyrimidine ring of uracil. The three non-equivalent CH bonds of CH3

  10. Testing group differences in brain functional connectivity: using correlations or partial correlations?

    Science.gov (United States)

    Kim, Junghi; Wozniak, Jeffrey R; Mueller, Bryon A; Pan, Wei

    2015-05-01

    Resting-state functional magnetic resonance imaging allows one to study brain functional connectivity, partly motivated by evidence that patients with complex disorders, such as Alzheimer's disease, may have altered functional brain connectivity patterns as compared with healthy subjects. A functional connectivity network describes statistical associations of the neural activities among distinct and distant brain regions. Recently, there is a major interest in group-level functional network analysis; however, there is a relative lack of studies on statistical inference, such as significance testing for group comparisons. In particular, it is still debatable which statistic should be used to measure pairwise associations as the connectivity weights. Many functional connectivity studies have used either (full or marginal) correlations or partial correlations for pairwise associations. This article investigates the performance of using either correlations or partial correlations for testing group differences in brain connectivity, and how sparsity levels and topological structures of the connectivity would influence statistical power to detect group differences. Our results suggest that, in general, testing group differences in networks deviates from estimating networks. For example, high regularization in both covariance matrices and precision matrices may lead to higher statistical power; in particular, optimally selected regularization (e.g., by cross-validation or even at the true sparsity level) on the precision matrices with small estimation errors may have low power. Most importantly, and perhaps surprisingly, using either correlations or partial correlations may give very different testing results, depending on which of the covariance matrices and the precision matrices are sparse. Specifically, if the precision matrices are sparse, presumably and arguably a reasonable assumption, then using correlations often yields much higher powered and more stable testing

  11. A Miniature Magnetic-Force-Based Three-Axis AC Magnetic Sensor with Piezoelectric/Vibrational Energy-Harvesting Functions.

    Science.gov (United States)

    Hung, Chiao-Fang; Yeh, Po-Chen; Chung, Tien-Kan

    2017-02-08

    In this paper, we demonstrate a miniature magnetic-force-based, three-axis, AC magnetic sensor with piezoelectric/vibrational energy-harvesting functions. For magnetic sensing, the sensor employs a magnetic-mechanical-piezoelectric configuration (which uses magnetic force and torque, a compact, single, mechanical mechanism, and the piezoelectric effect) to convert x-axis and y-axis in-plane and z-axis magnetic fields into piezoelectric voltage outputs. Under the x-axis magnetic field (sine-wave, 100 Hz, 0.2-3.2 gauss) and the z-axis magnetic field (sine-wave, 142 Hz, 0.2-3.2 gauss), the voltage output with the sensitivity of the sensor are 1.13-26.15 mV with 8.79 mV/gauss and 1.31-8.92 mV with 2.63 mV/gauss, respectively. In addition, through this configuration, the sensor can harness ambient vibrational energy, i.e., possessing piezoelectric/vibrational energy-harvesting functions. Under x-axis vibration (sine-wave, 100 Hz, 3.5 g) and z-axis vibration (sine-wave, 142 Hz, 3.8 g), the root-mean-square voltage output with power output of the sensor is 439 mV with 0.333 μW and 138 mV with 0.051 μW, respectively. These results show that the sensor, using this configuration, successfully achieves three-axis magnetic field sensing and three-axis vibration energy-harvesting. Due to these features, the three-axis AC magnetic sensor could be an important design reference in order to develop future three-axis AC magnetic sensors, which possess energy-harvesting functions, for practical industrial applications, such as intelligent vehicle/traffic monitoring, processes monitoring, security systems, and so on.

  12. Correlation singularities of partially coherent beams with multi-Gaussian correlation function

    Science.gov (United States)

    Zhang, Yongtao; Wang, Haixia; Ding, Chaoliang; Pan, Liuzhan

    2017-08-01

    Correlation singularities of partially coherent beams with multi-Gaussian correlation function (i.e., multi-Gaussian Schell-model beams) are studied. It is shown that there exist correlation singularities for scalar multi-Gaussian Schell-model (MGSM) beams, both in the source plane and in the output plane. We find the simple relation between the correlation singularities and the beam index M of MGSM beams, i.e., the number of ring dislocations equals M - 1, which may be used to determine the beam index M.

  13. Universal spatial correlation functions for describing and reconstructing soil microstructure.

    Directory of Open Access Journals (Sweden)

    Marina V Karsanina

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

  14. Nonreciprocal Green’s function retrieval by cross correlation

    NARCIS (Netherlands)

    Wapenaar, C.P.A.

    2006-01-01

    The cross correlation of two recordings of a diffuse acoustic wave field at different receivers yields the Green’s function between these receivers. In nearly all cases considered so far the wave equation obeys time-reversal invariance and the Green’s function obeys source-receiver reciprocity. Here

  15. Electron Correlation from the Adiabatic Connection for Multireference Wave Functions

    Science.gov (United States)

    Pernal, Katarzyna

    2018-01-01

    An adiabatic connection (AC) formula for the electron correlation energy is derived for a broad class of multireference wave functions. The AC expression recovers dynamic correlation energy and assures a balanced treatment of the correlation energy. Coupling the AC formalism with the extended random phase approximation allows one to find the correlation energy only from reference one- and two-electron reduced density matrices. If the generalized valence bond perfect pairing model is employed a simple closed-form expression for the approximate AC formula is obtained. This results in the overall M5 scaling of the computation cost making the method one of the most efficient multireference approaches accounting for dynamic electron correlation also for the strongly correlated systems.

  16. Correlation Function and Simplified TBA Equations for XXZ Chain

    Directory of Open Access Journals (Sweden)

    Minoru Takahashi

    2011-01-01

    Full Text Available The calculation of the correlation functions of Bethe ansatz solvable models is very difficult problem. Among these solvable models spin 1/2 XXX chain has been investigated for a long time. Even for this model only the nearest neighbor and the second neighbor correlations were known. In 1990's multiple integral formula for the general correlations is derived. But the integration of this formula is also very difficult problem. Recently these integrals are decomposed to products of one dimensional integrals and at zero temperature, zero magnetic field and isotropic case, correlation functions are expressed by log 2 and Riemann's zeta functions with odd integer argument ς(3,ς(5,ς(7,.... We can calculate density sub-matrix of successive seven sites. Entanglement entropy of seven sites is calculated. These methods can be extended to XXZ chain up to n=4. Correlation functions are expressed by the generalized zeta functions. Several years ago I derived new thermodynamic Bethe ansatz equation for XXZ chain. This is quite different with Yang-Yang type TBA equations and contains only one unknown function. This equation is very useful to get the high temperature expansion. In this paper we get the analytic solution of this equation at Δ=0.

  17. Correlation function of one-dimensional s = 1 Ising model

    Science.gov (United States)

    Proshkin, A. I.; Ponomareva, T. Yu.; Menshikh, I. A.; Zarubin, A. V.; Kassan-Ogly, F. A.

    2017-10-01

    The temperature behavior of the Fourier transform of the spin-correlation function has been studied in terms of the one-dimensional Ising model taking into account the interaction between the nearest neighbors in the cases of different signs of exchange interactions, magnetic field, and spin. It has been shown that, in the antiferromagnetic model, in the frustration field, the correlation function has a broad maximum and does not take on the form of a delta function as the temperature approaches zero, which indicates the absence of ordering in the system.

  18. Path integral based calculations of symmetrized time correlation functions. I.

    Science.gov (United States)

    Bonella, S; Monteferrante, M; Pierleoni, C; Ciccotti, G

    2010-10-28

    In this paper, we examine how and when quantum evolution can be approximated in terms of (generalized) classical dynamics in calculations of correlation functions, with a focus on the symmetrized time correlation function introduced by Schofield. To that end, this function is expressed as a path integral in complex time and written in terms of sum and difference path variables. Taylor series expansion of the path integral's exponent to first and second order in the difference variables leads to two original developments. The first order expansion is used to obtain a simple, path integral based, derivation of the so-called Schofield's quantum correction factor. The second order result is employed to show how quantum mechanical delocalization manifests itself in the approximation of the correlation function and hinders, even in the semiclassical limit, the interpretation of the propagators in terms of sets of guiding classical trajectories dressed with appropriate weights.

  19. Abnormal vibration induced illusion of movement in essential tremor: evidence for abnormal muscle spindle afferent function

    OpenAIRE

    Frima, N; Grunewald, R

    2005-01-01

    Objectives: Vibration induced illusion of movement (VIIM) is abnormal in patients with idiopathic focal dystonia, an abnormality which corrects with fatigue of the vibrated muscle. Since dystonia and essential tremor sometimes coexist in families, we investigated the perception of VIIM and the effect of fatigue on VIIM in patients with essential tremor.

  20. Buckling and Vibration of Functionally Graded Non-uniform Circular Plates Resting on Winkler Foundation

    Directory of Open Access Journals (Sweden)

    Roshan Lal

    Full Text Available Abstract An investigation on the effect of uniform tensile in-plane force on the radially symmetric vibratory characteristics of functionally graded circular plates of linearly varying thickness along radial direction and resting on a Winkler foundation has been carried out on the basis of classical plate theory. The non-homogeneous mechanical properties of the plate are assumed to be graded through the thickness and described by a power function of the thickness coordinate. The governing differential equation for such a plate model has been obtained using Hamilton's principle. The differential transform method has been employed to obtain the frequency equations for simply supported and clamped boundary conditions. The effect of various parameters like volume fraction index, taper parameter, foundation parameter and the in-plane force parameter has been analysed on the first three natural frequencies of vibration. By allowing the frequency to approach zero, the critical buckling loads for both the plates have been computed. Three-dimensional mode shapes for specified plates have been plotted. Comparison with existing results has been made.

  1. EXPLORING THE EFFECTS OF A 20-WEEK WHOLE-BODY VIBRATION TRAINING PROGRAMME ON LEG MUSCLE PERFORMANCE AND FUNCTION IN PERSONS WITH MULTIPLE SCLEROSIS

    OpenAIRE

    BROEKMANS, Tom; Roelants, Machteld; ALDERS, Geert; FEYS, Peter; THIJS, Herbert; OP 'T EIJNDE, Bert

    2010-01-01

    Objective To investigate the acute effects of long term whole body vibration on leg muscle performance and functional capacity in persons with multiple sclerosis Design A randomized controlled trial Subjects Twenty five patients with multiple sclerosis (mean age 47 9 +/- 1 9 years Expanded Disability Status Scale 4 3 +/- 0 2) were assigned randomly to whole body vibration training (n = 11) or to a control group (n = 14) Methods The whole body vibration group performed static and dynamic leg s...

  2. Correlations within the non-equilibrium Green's function method

    Science.gov (United States)

    Mahzoon, M. H.; Danielewicz, P.; Rios, A.

    2017-12-01

    Non-equilibrium Green's Function (NGF) method is a powerful tool for studying the evolution of quantum many-body systems. Different types of correlations can be systematically incorporated within the formalism. The time evolution of the single-particle Green's functions is described in terms of the Kadanoff-Baym equations. The current work initially focuses on introducing the correlations within infinite nuclear matter in one dimension and then in a finite system in the NGF approach. Starting from the harmonic oscillator Hamiltonian, by switching on adiabatically the mean-field and correlations simultaneously, a correlated state with ground-state characteristics is arrived at within the NGF method. Furthermore the use of cooling to for improving the adiabatic switching is explored.

  3. Correlation Functions in Open Quantum-Classical Systems

    Directory of Open Access Journals (Sweden)

    Chang-Yu Hsieh

    2013-12-01

    Full Text Available Quantum time correlation functions are often the principal objects of interest in experimental investigations of the dynamics of quantum systems. For instance, transport properties, such as diffusion and reaction rate coefficients, can be obtained by integrating these functions. The evaluation of such correlation functions entails sampling from quantum equilibrium density operators and quantum time evolution of operators. For condensed phase and complex systems, where quantum dynamics is difficult to carry out, approximations must often be made to compute these functions. We present a general scheme for the computation of correlation functions, which preserves the full quantum equilibrium structure of the system and approximates the time evolution with quantum-classical Liouville dynamics. Several aspects of the scheme are discussed, including a practical and general approach to sample the quantum equilibrium density, the properties of the quantum-classical Liouville equation in the context of correlation function computations, simulation schemes for the approximate dynamics and their interpretation and connections to other approximate quantum dynamical methods.

  4. Using the Correlation Function in Ultrasonic Non-destructive Testing

    Directory of Open Access Journals (Sweden)

    M. Kreidl

    2002-01-01

    Full Text Available This paper deals with ultrasonic signal de-noising by means of correlation. It is commonly known that the cross-correlation function shows the statistical dependence between two signals. In ultrasonic inspection, the measured signal is taken as the first signal. The most important aspect of this method is the choice of the second signal. Various types of the second signals can be tried.

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

    Science.gov (United States)

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

    2011-01-01

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

  6. Magnetic pair distribution function analysis of local magnetic correlations.

    Science.gov (United States)

    Frandsen, Benjamin A; Yang, Xiaohao; Billinge, Simon J L

    2014-01-01

    The analytical form of the magnetic pair distribution function (mPDF) is derived for the first time by computing the Fourier transform of the neutron scattering cross section from an arbitrary collection of magnetic moments. Similar to the atomic pair distribution function applied to the study of atomic structure, the mPDF reveals both short-range and long-range magnetic correlations directly in real space. This function is experimentally accessible and yields magnetic correlations even when they are only short-range ordered. The mPDF is evaluated for various example cases to build an intuitive understanding of how different patterns of magnetic correlations will appear in the mPDF.

  7. N=4 superconformal Ward identities for correlation functions

    CERN Document Server

    Belitsky, A V; Korchemsky, G P; Sokatchev, E

    2016-01-01

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

  8. Wilsonian renormalisation of CFT correlation functions: field theory

    Science.gov (United States)

    Lizana, J. M.; Pérez-Victoria, M.

    2017-06-01

    We examine the precise connection between the exact renormalisation group with local couplings and the renormalisation of correlation functions of composite operators in scale-invariant theories. A geometric description of theory space allows us to select convenient non-linear parametrisations that serve different purposes. First, we identify normal parameters in which the renormalisation group flows take their simplest form; normal correlators are defined by functional differentiation with respect to these parameters. The renormalised correlation functions are given by the continuum limit of correlators associated to a cutoff-dependent parametrisation, which can be related to the renormalisation group flows. The necessary linear and non-linear counterterms in any arbitrary parametrisation arise in a natural way from a change of coordinates. We show that, in a class of minimal subtraction schemes, the renormalised correlators are exactly equal to normal correlators evaluated at a finite cutoff. To illustrate the formalism and the main results, we compare standard diagrammatic calculations in a scalar free-field theory with the structure of the perturbative solutions to the Polchinski equation close to the Gaussian fixed point.

  9. Redshift-space correlation functions in large galaxy cluster surveys

    Science.gov (United States)

    Valageas, P.; Clerc, N.

    2012-11-01

    Context. Large ongoing and upcoming galaxy cluster surveys in the optical, X-ray and millimetric wavelengths will provide rich samples of galaxy clusters at unprecedented depths. One key observable for constraining cosmological models is the correlation function of these objects, measured through their spectroscopic redshift. Aims: We study the redshift-space correlation functions of clusters of galaxies, averaged over finite redshift intervals, and their covariance matrices. Expanding as usual the angular anisotropy of the redshift-space correlation on Legendre polynomials, we consider the redshift-space distortions of the monopole as well as the next two multipoles, 2ℓ = 2 and 4. Methods: Taking into account the Kaiser effect, we developed an analytical formalism to obtain explicit expressions of all contributions to these mean correlations and covariance matrices. We include shot-noise and sample-variance effects as well as Gaussian and non-Gaussian contributions. Results: We obtain a reasonable agreement with numerical simulations for the mean correlations and covariance matrices on large scales (r > 10 h-1 Mpc). Redshift-space distortions amplify the monopole correlation by about 10-20%, depending on the halo mass, but the signal-to-noise ratio remains of the same order as for the real-space correlation. This distortion will be significant for surveys such as DES, Erosita, and Euclid, which should also measure the quadrupole 2ℓ = 2. The third multipole, 2ℓ = 4, may only be marginally detected by Euclid.

  10. Molecular geometry, vibrational spectra, atomic charges, frontier molecular orbital and Fukui function analysis of antiviral drug zidovudine

    Science.gov (United States)

    Ramkumaar, G. R.; Srinivasan, S.; Bhoopathy, T. J.; Gunasekaran, S.

    2012-12-01

    The solid phase FT-IR and FT-Raman spectra of zidovudine (AZT) were recorded in the regions 4000-400 and 3500-100 cm-1, respectively. The optimized geometry, frequency and intensity of the vibrational bands of zidovudine were obtained by the Restricted Hartree-Fock (RHF) density functional theory (DFT) with complete relaxation in the potential energy surface using 6-31G(d,p) basis set. The harmonic vibrational frequencies for zidovudine were calculated and the scaled values have been compared with experimental values of FTIR and FT-Raman spectra. The observed and the calculated frequencies are found to be in good agreement. The harmonic vibrational wave numbers and intensities of vibrational bands of zidovudine with its cation and anion were calculated and compared with the neutral AZT. The DFT calculated HOMO and LUMO energies shows that charge transfer occurs within the molecule. The electron density-based local reactivity descriptors such as Fukui functions were calculated to explain the chemical selectivity or reactivity site in AZT.

  11. Explicitly correlated wave function for a boron atom

    CERN Document Server

    Puchalski, Mariusz; Pachucki, Krzysztof

    2015-01-01

    We present results of high-precision calculations for a boron atom's properties using wave functions expanded in the explicitly correlated Gaussian basis. We demonstrate that the well-optimized 8192 basis functions enable a determination of energy levels, ionization potential, and fine and hyperfine splittings in atomic transitions with nearly parts per million precision. The results open a window to a spectroscopic determination of nuclear properties of boron including the charge radius of the proton halo in the $^8$B nucleus.

  12. Memory function approach to correlated electron transport: A comprehensive review

    Science.gov (United States)

    Das, Nabyendu; Bhalla, Pankaj; Singh, Navinder

    2016-09-01

    Memory function formalism or projection operator technique is an extremely useful method to study the transport and optical properties of various condensed matter systems. A recent revival of its uses in various correlated electronic systems is being observed. It is being used and discussed in various contexts, ranging from non-equilibrium dynamics to the optical properties of various strongly correlated systems such as high temperature superconductors. However, a detailed discussion on this method, starting from its origin to its present day applications at one place is lacking. In this article we attempt a comprehensive review of the memory function approach focusing on its uses in studying the dynamics and the transport properties of correlated electronic systems.

  13. Correlation of Thyroid Functions with Severity and Outcome of ...

    African Journals Online (AJOL)

    hypothyroidism that correlates with severity of preeclampsia and influences obstetric outcome in these women. Identification of thyroid hormone in pregnancy might be of help in predicting occurrence of preeclampsia. Keywords: Birth weight, Preeclampsia, Thyroid function. Access this article online. Quick Response Code:.

  14. Current correlation functions of ideal Fermi gas at finite temperature

    Indian Academy of Sciences (India)

    Ca; 71.45.Gm. 1. Introduction. The transverse and longitudinal current–current correlation functions describing the cur- rent fluctuations induced in the electron system by a weak external probe perpendicular and parallel to the propagation of electron wave, respectively, are two basic quantities in the theory of Fermi liquid.

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

    Science.gov (United States)

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

    2011-01-01

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

  16. Statistics of baryon correlation functions in lattice QCD

    Science.gov (United States)

    Wagman, Michael L.; Savage, Martin J.; Nplqcd Collaboration

    2017-12-01

    A systematic analysis of the structure of single-baryon correlation functions calculated with lattice QCD is performed, with a particular focus on characterizing the structure of the noise associated with quantum fluctuations. The signal-to-noise problem in these correlation functions is shown, as long suspected, to result from a sign problem. The log-magnitude and complex phase are found to be approximately described by normal and wrapped normal distributions respectively. Properties of circular statistics are used to understand the emergence of a large time noise region where standard energy measurements are unreliable. Power-law tails in the distribution of baryon correlation functions, associated with stable distributions and "Lévy flights," are found to play a central role in their time evolution. A new method of analyzing correlation functions is considered for which the signal-to-noise ratio of energy measurements is constant, rather than exponentially degrading, with increasing source-sink separation time. This new method includes an additional systematic uncertainty that can be removed by performing an extrapolation, and the signal-to-noise problem reemerges in the statistics of this extrapolation. It is demonstrated that this new method allows accurate results for the nucleon mass to be extracted from the large-time noise region inaccessible to standard methods. The observations presented here are expected to apply to quantum Monte Carlo calculations more generally. Similar methods to those introduced here may lead to practical improvements in analysis of noisier systems.

  17. Solution of integrals necessary to determine rainfall interstation correlation functions

    NARCIS (Netherlands)

    Stol, P.T.

    1977-01-01

    The analytic salution to the rainfall interstation correlation function depends on the salution of some integrals (STOL, 1977a). Although the salution is a straightforward application of integral calculus the structure of the integrals is rather complicated (STOL, 1977b) and need some·comments to

  18. The pair correlation function of spatial Hawkes processes

    DEFF Research Database (Denmark)

    Møller, Jesper; Torrisi, Giovanni Luca

    2007-01-01

    Spatial Hawkes processes can be considered as spatial versions of classical Hawkes processes. We derive the pair correlation function of stationary spatial Hawkes processes and discuss the connection to the Bartlett spectrum and other summary statistics. Particularly, results for Gaussian fertility...... rates and the extension to spatial Hawkes processes with random fertility rates are discussed....

  19. A two-point correlation function for Galactic halo stars

    NARCIS (Netherlands)

    Cooper, A. P.; Cole, S.; Frenk, C. S.; Helmi, A.

    2011-01-01

    We describe a correlation function statistic that quantifies the amount of spatial and kinematic substructure in the stellar halo. We test this statistic using model stellar halo realizations constructed from the Aquarius suite of six high-resolution cosmological N-body simulations, in combination

  20. Anatomical and functional correlates of voice quality in tracheoesophageal speech

    NARCIS (Netherlands)

    van As-Brooks, Corina J.; Hilgers, Frans J. M.; Koopmans-van Beinum, Florien J.; Pols, Louis C. W.

    2005-01-01

    The purpose of the current study was to assess the anatomic and functional correlates of voice quality in tracheoesophageal speech, with dynamic imaging studies of the neoglottis. Videofluoroscopy (providing a lateral view), digital high-speed endoscopy (providing a "birds-eye" view), and their

  1. Development and testing of new exchange correlation functionals

    DEFF Research Database (Denmark)

    Lundgård, Keld Troen

    Catalysts are used in 90% of the world’s chemical processes to produce 60% of its chemical products, and they are thus very important to our modern society. We therefore seek to better understand current catalytic materials, so that we can find alternatives that will improve the energy efficiency...... on accurate and efficient approximations to the exchange correlation functional, yet these functional approximations have lacked a systematic way to estimate the underlying uncertainties. A Bayesian error estimation approach provides a mechanism for calculating approximative uncertainties, and so accurate......-empirical functional approximations have been made: BEEF-vdW, mBEEF, and mBEEFvdW. It is shown that these functionals are able balance the accuracy of predicting energetics of covalent and non-covalent chemistry better than any comparative functional that we have tested, and they could therefore become the functional...

  2. Direct assignment of molecular vibrations via normal mode analysis of the neutron dynamic pair distribution function technique.

    Science.gov (United States)

    Fry-Petit, A M; Rebola, A F; Mourigal, M; Valentine, M; Drichko, N; Sheckelton, J P; Fennie, C J; McQueen, T M

    2015-09-28

    For over a century, vibrational spectroscopy has enhanced the study of materials. Yet, assignment of particular molecular motions to vibrational excitations has relied on indirect methods. Here, we demonstrate that applying group theoretical methods to the dynamic pair distribution function analysis of neutron scattering data provides direct access to the individual atomic displacements responsible for these excitations. Applied to the molecule-based frustrated magnet with a potential magnetic valence-bond state, LiZn2Mo3O8, this approach allows direct assignment of the constrained rotational mode of Mo3O13 clusters and internal modes of MoO6 polyhedra. We anticipate that coupling this well known data analysis technique with dynamic pair distribution function analysis will have broad application in connecting structural dynamics to physical properties in a wide range of molecular and solid state systems.

  3. Lifetimes and wave functions of ozone metastable vibrational states near the dissociation limit in full symmetry approach

    CERN Document Server

    Lapierre, David; Kochanov, Roman; Kokoouline, Viatcheslav; Tyuterev, Vladimir

    2016-01-01

    Energies and lifetimes (widths) of vibrational states above the lowest dissociation limit of $^{16}$O$_3$ were determined using a previously-developed efficient approach, which combines hyperspherical coordinates and a complex absorbing potential. The calculations are based on a recently-computed potential energy surface of ozone determined with a spectroscopic accuracy [J. Chem. Phys. {\\bf 139}, 134307 (2013)]. The effect of permutational symmetry on rovibrational dynamics and the density of resonance states in O$_3$ is discussed in detail. Correspondence between quantum numbers appropriate for short- and long-range parts of wave functions of the rovibrational continuum is established. It is shown, by symmetry arguments, that the allowed purely vibrational ($J=0$) levels of $^{16}$O$_3$ and $^{18}$O$_3$, both made of bosons with zero nuclear spin, cannot dissociate on the ground state potential energy surface. Energies and wave functions of bound states of the ozone isotopologue $^{16}$O$_3$ with rotational ...

  4. 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.

  5. Large N correlation functions in superconformal field theories

    Energy Technology Data Exchange (ETDEWEB)

    Rodriguez-Gomez, Diego [Department of Physics, Universidad de Oviedo, Avda. Calvo Sotelo 18, 33007 Oviedo (Spain); Russo, Jorge G. [Institució Catalana de Recerca i Estudis Avançats (ICREA),Pg.Lluis Compayns, 23, 08010 Barcelona (Spain); Departament de Física Cuántica i Astrofísica and Institut de Ciències del Cosmos,Universitat de Barcelona,Martí Franquès, 1, 08028 Barcelona (Spain)

    2016-06-20

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

  6. Functional correlates of detailed body composition in healthy elderly subjects.

    Science.gov (United States)

    Geisler, Corinna; Schweitzer, Lisa; Müller, Manfred James

    2018-01-01

    Methods of body composition analysis are now widely used to characterize health status, i.e., nutritional status, metabolic rates, and cardiometabolic risk factors. However, the functional correlates of individual body components have not been systematically analyzed. In this study, we have used a two-compartment model, which was assessed by air displacement plethysmography. Detailed body composition was measured by whole body magnetic resonance imaging in a healthy population of 40 Caucasians, aged 65-81 yr (20 men; body mass index range: 18.6-37.2 kg/m 2 ). Physical, metabolic, as well as endocrine functions included pulmonary function, handgrip strength, gait speed, sit-to-stand test, physical activity, blood pressure, body temperature, resting energy expenditure (REE), liver and kidney functions (glomerular filtration rate), insulin sensitivity [homeostasis model assessment (HOMA)], plasma lipids, plasma leptin, testosterone, dehydroepiandrosterone, insulin-like growth factor I levels, thyroid status, vitamins, and inflammation. Individual body compartments were intercorrelated, e.g., skeletal muscle mass (SM) correlated with visceral adipose tissue ( r = 0.53) and kidneys ( r = 0.62). For the functional correlates, SM ( r = 0.58) and liver volume ( r = 0.63) were associated with REE, SM correlated with handgrip strength ( r = 0.57), and kidneys with glomerular filtration rate ( r = 0.57). While visceral adipose tissue correlated with HOMA ( r = 0.59), subcutaneous adipose tissue was related to plasma leptin levels ( r = 0.84). The subcutaneous adipose tissue-to-leptin relationship was moderated by inflammation increasing the explained variance of leptin levels by 4.0%. In linear regression analysis, detailed body composition explained variances in REE (75.0%), HOMA (41.0%), and leptin (78.0%) compared with a body mass index-based model (REE 16.0%, HOMA 31.0%, leptin 45.0%). In addition, detailed body composition explained 39

  7. Effects of partial coherence on correlation functions measured by x-ray photon correlation spectroscopy

    Science.gov (United States)

    Gutt, C.; Ghaderi, T.; Tolan, M.; Sinha, S. K.; Grübel, G.

    2008-03-01

    We present a rigorous description of the effects of partial coherence and detector resolution on intensity autocorrelation functions as they can be measured by x-ray photon correlation spectroscopy (XPCS). Based on the Huygens-Fresnel propagation law and on the first Born approximation, we derive a general expression for the normalized intensity autocorrelation function. We calculate how the mutual coherence function of the x-ray beam propagates from an aperture to the sample and how it propagates after the scattering process to the detector area and consequently influences the intensity autocorrelation function. We illustrate our calculation with examples of XPCS intensity autocorrelation functions of liquid surfaces calculated for grazing incidence geometry.

  8. Path integral based calculations of symmetrized time correlation functions. II.

    Science.gov (United States)

    Bonella, S; Monteferrante, M; Pierleoni, C; Ciccotti, G

    2010-10-28

    Schofield's form of quantum time correlation functions is used as the starting point to derive a computable expression for these quantities. The time composition property of the propagators in complex time is exploited to approximate Schofield's function in terms of a sequence of short time classical propagations interspersed with path integrals that, combined, represent the thermal density of the system. The approximation amounts to linearization of the real time propagators and it becomes exact with increasing number of propagation legs. Within this scheme, the correlation function is interpreted as an expectation value over a probability density defined on the thermal and real path space and calculated by a Monte Carlo algorithm. The performance of the algorithm is tested on a set of benchmark problems. Although the numerical effort required is considerable, we show that the algorithm converges systematically to the exact answer with increasing number of iterations and that it is stable for times longer than those accessible via a brute force, path integral based, calculation of the correlation function. Scaling of the algorithm with dimensionality is also examined and, when the method is combined with commonly used filtering schemes, found to be comparable to that of alternative semiclassical methods.

  9. Finite Element Modelling for Static and Free Vibration Response of Functionally Graded Beam

    Directory of Open Access Journals (Sweden)

    Ateeb Ahmad Khan

    Full Text Available Abstract A 1D Finite Element model for static response and free vibration analysis of functionally graded material (FGM beam is presented in this work. The FE model is based on efficient zig-zag theory (ZIGT with two noded beam element having four degrees of freedom at each node. Linear interpolation is used for the axial displacement and cubic hermite interpolation is used for the deflection. Out of a large variety of FGM systems available, Al/SiC and Ni/Al2O3 metal/ceramic FGM system has been chosen. Modified rule of mixture (MROM is used to calculate the young's modulus and rule of mixture (ROM is used to calculate density and poisson's ratio of FGM beam at any point. The MATLAB code based on 1D FE zigzag theory for FGM elastic beams is developed. A 2D FE model for the same elastic FGM beam has been developed using ABAQUS software. An 8-node biquadratic plane stress quadrilateral type element is used for modeling in ABAQUS. Three different end conditions namely simply-supported, cantilever and clamped- clamped are considered. The deflection, normal stress and shear stress has been reported for various models used. Eigen Value problem using subspace iteration method is solved to obtain un-damped natural frequencies and the corresponding mode shapes. The results predicted by the 1D FE model have been compared with the 2D FE results and the results present in open literature. This proves the correctness of the model. Finally, mode shapes have also been plotted for various FGM systems.

  10. Heterogeneous Dynamics of Coupled Vibrations

    NARCIS (Netherlands)

    Cringus, Dan; Jansen, Thomas I. C.; Pshenichnikov, Maxim S.; Schoenlein, RW; Corkum, P; DeSilvestri, S; Nelson, KA; Riedle, E

    2009-01-01

    Frequency-dependent dynamics of coupled stretch vibrations of a water molecule are revealed by 2D IR correlation spectroscopy. These are caused by non-Gaussian fluctuations of the environment around the individual OH stretch vibrations.

  11. Effects of Eight Months of Whole-Body Vibration Training on the Muscle Mass and Functional Capacity of Elderly Women.

    Science.gov (United States)

    Santin-Medeiros, Fernanda; Rey-López, Juan P; Santos-Lozano, Alejandro; Cristi-Montero, Carlos S; Garatachea Vallejo, Nuria

    2015-07-01

    Few intervention studies have used whole-body vibration (WBV) training in the elderly, and there is inconclusive evidence about its health benefits. We examined the effect of 8 months of WBV training on muscle mass and functional capacity in elderly women. A total of 37 women (aged 82.4 ± 5.7 years) voluntarily participated in this study. Subjects were randomly assigned to a vibration group (n = 19) or a control group (n = 18). The vibration group trained on a vertical vibration platform twice a week. The control group was requested not to change their habitual lifestyle. The quadriceps femoris muscle cross-sectional area was determined by magnetic resonance imaging. All participants were evaluated by a battery of tests (Senior Fitness Test) to determine their functional capacity, as well as handgrip strength and balance/gait. General linear repeated-measure analysis of variance (group by time) was performed to examine the effect of the intervention on the outcomes variables. After 8 months, nonstatistically significant differences in the quadriceps CSA (pre-training: 8,516.16 ± 1,271.78 mm² and post-training: 8,671.63 ± 1,389.03 mm²) (p > 0.05) were found in the WBV group (Cohen's d: -0.12), whereas the CON group significantly decreased muscle mass (pre-training: 9,756.18 ± 1,420.07 mm² and post-training: 9,326.82 ± 1,577.53 mm²), with moderate effect size evident (Cohen's d: 0.29). In both groups, no changes were observed in the functional capacity, handgrip strength and balance/gait. The WBV training could prevent the loss of quadriceps CSA in elderly women.

  12. Investigating efficient methods for computing four-quark correlation functions

    Science.gov (United States)

    Abdel-Rehim, Abdou; Alexandrou, Constantia; Berlin, Joshua; Dalla Brida, Mattia; Finkenrath, Jacob; Wagner, Marc

    2017-11-01

    We discuss and compare the efficiency of various methods, combinations of point-to-all propagators, stochastic timeslice-to-all propagators, the one-end trick and sequential propagators, to compute two-point correlation functions of two-quark and four-quark interpolating operators of different structure including quark-antiquark type, mesonic molecule type, diquark-antidiquark type and two-meson type. Although we illustrate our methods in the context of the a0(980) , they can be applied for other multi-quark systems, where similar diagrams appear. Thus our results could provide helpful guidelines on the choice of methods for correlation function computation for future lattice QCD studies of meson-meson scattering and possibly existing tetraquark states.

  13. The derivative discontinuity of the exchange-correlation functional

    CERN Document Server

    Mori-Sánchez, Paula

    2014-01-01

    The derivative discontinuity is a key concept in electronic structure theory in general and density functional theory in particular. The electronic energy of a quantum system exhibits derivative discontinuities with respect to different degrees of freedom that are a consequence of the integer nature of electrons. The classical understanding refers to the derivative discontinuity of the total energy as a function of the total number of electrons ($N$), but it can also manifest at constant $N$. Examples are shown in models including several Hydrogen systems with varying numbers of electrons or nuclear charge ($Z$), as well as the 1-dimensional Hubbard model (1DHM). Two sides of the problem are investigated: first, the failure of currently used approximate exchange-correlation functionals in DFT and, second, the importance of the derivative discontinuity in the exact electronic structure of molecules, as revealed by full configuration interaction (FCI). Currently, all approximate functionals miss the derivative ...

  14. CCFpams: Atmospheric stellar parameters from cross-correlation functions

    Science.gov (United States)

    Malavolta, Luca; Lovis, Christophe; Pepe, Francesco; Sneden, Christopher; Udry, Stephane

    2017-07-01

    CCFpams allows the measurement of stellar temperature, metallicity and gravity within a few seconds and in a completely automated fashion. Rather than performing comparisons with spectral libraries, the technique is based on the determination of several cross-correlation functions (CCFs) obtained by including spectral features with different sensitivity to the photospheric parameters. Literature stellar parameters of high signal-to-noise (SNR) and high-resolution HARPS spectra of FGK Main Sequence stars are used to calibrate the stellar parameters as a function of CCF areas.

  15. Correlation functions in the factorization approach of nonextensive quantum statistics

    Science.gov (United States)

    Ubriaco

    2000-07-01

    We study the long-range behavior of a gas whose partition function depends on a parameter q and it has been claimed to be a good approximation to the partition function proposed in the formulation of nonextensive statistical mechanics. We compare our results, at large temperatures and at the critical point, with the case of Boltzmann-Gibbs thermodynamics for the case of a Bose-Einstein gas. In particular, we find that for all temperatures the long-range correlations in a Bose gas decrease when the value of q departs from the standard value q=1.

  16. Total Correlation Function Integrals and Isothermal Compressibilities from Molecular Simulations

    DEFF Research Database (Denmark)

    Wedberg, Rasmus; Peters, Günther H.j.; Abildskov, Jens

    2008-01-01

    Generation of thermodynamic data, here compressed liquid density and isothermal compressibility data, using molecular dynamics simulations is investigated. Five normal alkane systems are simulated at three different state points. We compare two main approaches to isothermal compressibilities: (1...... in approximately the same amount of time. This suggests that computation of total correlation function integrals is a route to isothermal compressibility, as accurate and fast as well-established benchmark techniques. A crucial step is the integration of the radial distribution function. To obtain sensible results...

  17. mTransport: Two-point-correlation function calculator

    Science.gov (United States)

    Dias, Mafalda; Frazer, Jonathan; Seery, David

    2017-10-01

    mTransport computes the 2-point-correlation function of the curvature and tensor perturbations in multifield models of inflation in the presence of a curved field space. It is a Mathematica implementation of the transport method which encompasses scenarios with violations of slow-roll conditions and turns of the trajectory in field space. It can be used for an arbitrary mass spectrum, including massive modes, particle production and models with quasi-single-field dynamics.

  18. Charmonium correlators and spectral functions at finite temperature

    Energy Technology Data Exchange (ETDEWEB)

    Ding,H.T.; Kaczmarek, O.; Karsch, F.; Satz, H.

    2008-09-01

    We present an operational approach to address the in-medium behavior of charmonium and analyze the reliability of maximum entropy method (MEM). We study the dependences of the ratio of correlators to the reconstructed one and the free one on the resonance's width and the continuum's threshold. Furthermore, we discuss the issue of the default model dependence of the spectral function obtained from MEM.

  19. An improved method for estimating the frequency correlation function

    KAUST Repository

    Chelli, Ali

    2012-04-01

    For time-invariant frequency-selective channels, the transfer function is a superposition of waves having different propagation delays and path gains. In order to estimate the frequency correlation function (FCF) of such channels, the frequency averaging technique can be utilized. The obtained FCF can be expressed as a sum of auto-terms (ATs) and cross-terms (CTs). The ATs are caused by the autocorrelation of individual path components. The CTs are due to the cross-correlation of different path components. These CTs have no physical meaning and leads to an estimation error. We propose a new estimation method aiming to improve the estimation accuracy of the FCF of a band-limited transfer function. The basic idea behind the proposed method is to introduce a kernel function aiming to reduce the CT effect, while preserving the ATs. In this way, we can improve the estimation of the FCF. The performance of the proposed method and the frequency averaging technique is analyzed using a synthetically generated transfer function. We show that the proposed method is more accurate than the frequency averaging technique. The accurate estimation of the FCF is crucial for the system design. In fact, we can determine the coherence bandwidth from the FCF. The exact knowledge of the coherence bandwidth is beneficial in both the design as well as optimization of frequency interleaving and pilot arrangement schemes. © 2012 IEEE.

  20. Correlation of cognitive and masticatory function in Alzheimer's disease.

    Science.gov (United States)

    Campos, Camila Heitor; Ribeiro, Giselle Rodrigues; Costa, José Luiz Riani; Rodrigues Garcia, Renata Cunha Matheus

    2017-03-01

    This study investigated chewing function in elderly individuals with Alzheimer's disease (AD) and correlated chewing function with cognitive status. Sixteen elderly individuals with mild AD (mean age 76.7 ± 6.3 years; 8 men, 8 women) and 16 age and gender-matched healthy controls (mean age 75.23 ± 4.4 years; 8 men, 8 women) were included in this study. All volunteers wore removable prostheses: 11 were totally edentulous and five were partially edentulous in each group. Chewing function was evaluated via masticatory performance (MP) using Optocal chewable test material and a sieve fractionation method. Cognitive functioning was assessed by the Mini Mental State Exam (MMSE), administered by a trained examiner. Data were analyzed by non-paired t test and Pearson's correlation with α = 0.05. Compared to controls, mild AD patients had decreased MP (P function. Knowledge that mild AD has an impact on chewing is important for dental professionals in decision-making related to prosthetics and general dental treatment.

  1. Statistical Study of Turbulence: Spectral Functions and Correlation Coefficients

    Science.gov (United States)

    Frenkiel, Francois N.

    1958-01-01

    In reading the publications on turbulence of different authors, one often runs the risk of confusing the various correlation coefficients and turbulence spectra. We have made a point of defining, by appropriate concepts, the differences which exist between these functions. Besides, we introduce in the symbols a few new characteristics of turbulence. In the first chapter, we study some relations between the correlation coefficients and the different turbulence spectra. Certain relations are given by means of demonstrations which could be called intuitive rather than mathematical. In this way we demonstrate that the correlation coefficients between the simultaneous turbulent velocities at two points are identical, whether studied in Lagrange's or in Euler's systems. We then consider new spectra of turbulence, obtained by study of the simultaneous velocities along a straight line of given direction. We determine some relations between these spectra and the correlation coefficients. Examining the relation between the spectrum of the turbulence measured at a fixed point and the longitudinal-correlation curve given by G. I. Taylor, we find that this equation is exact only when the coefficient is very small.

  2. Trunk Function Correlates Positively with Wheelchair Basketball Player Classification.

    Science.gov (United States)

    Santos, Sileno da Silva; Krishnan, Chandramouli; Alonso, Angelica Castilho; Greve, Júlia Maria D'Andréa

    2017-02-01

    The aims of this study were (1) to identify differences in trunk muscle strength and balance among various classes of wheelchair basketball (WCB) players and (2) to determine if trunk muscle strength and balance correlate with the current observation-based classification of WCB players. Isometric trunk strength and balance (limits of stability) were objectively quantified in 42 male WCB players. Principal component analysis was used to synthesize a battery of strength and balance measures into a single, composite score of trunk function. The K-means clustering algorithm was then used to generate an objective classification system by stratifying players into 4 classes based on their trunk function. Results indicated that there were significant differences in trunk muscle strength and balance between various classes of WCB players (P < 0.05), such that the mean peak trunk extensor and flexor torque and limits of stability indices increased progressively according to the players' classes. There was also a significant correlation between observation-based WCB classification and principal component analysis cluster analysis-based WCB classification (ρ = 0.785, P < 0.05). This study provides novel evidence indicating that trunk strength and balance differ among various classes of WCB players, and objective measures of trunk function correlate positively with the current observation-based WCB classification system.

  3. Trait correlates and functional significance of heteranthery in flowering plants.

    Science.gov (United States)

    Vallejo-Marín, Mario; Da Silva, Elizabeth M; Sargent, Risa D; Barrett, Spencer C H

    2010-10-01

    • Flowering plants display extraordinary diversity in the morphology of male sexual organs, yet the functional significance of this variation is not well understood. Here, we conducted a comparative analysis of floral correlates of heteranthery - the morphological and functional differentiation of anthers within flowers - among angiosperm families to identify traits associated with this condition. • We performed a phylogenetic analysis of correlated evolution between heteranthery and several floral traits commonly reported from heterantherous taxa. In addition, we quantified the effect of phylogenetic uncertainty in the observed patterns of correlated evolution by comparing trees in which polytomous branches were randomly resolved. • Heteranthery is reported from 12 angiosperm orders and is phylogenetically associated with the absence of floral nectaries, buzz-pollination and enantiostyly (mirror-image flowers). These associations are robust to particularities of the underlying phylogenetic hypothesis. • Heteranthery has probably evolved as a result of pollinator-mediated selection and appears to function to reduce the conflict of relying on pollen both as food to attract pollinators and as the agent of male gamete transfer. The relative scarcity of heteranthery among angiosperm families suggests that the conditions permitting its evolution are not easily met despite the abundance of pollen-collecting bees and nectarless flowers. © The Authors (2010). Journal compilation © New Phytologist Trust (2010).

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

    Science.gov (United States)

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

    2015-11-01

    Despite research findings that similar numbers of male and female veterans are affected by military sexual trauma (MST), there has been considerably less research on the effects of MST specific to male veterans. The aim of the present study was to provide preliminary data describing functional correlates of military sexual assault (MSA) among male Iraq/Afghanistan-era veterans to identify potential health care needs for this population. We evaluated the following functional correlates: posttraumatic stress disorder (PTSD) symptoms, depression symptoms, alcohol use, drug use, suicidality, social support, violent behavior in the past 30 days, incarceration, disability eligibility status, and use of outpatient mental health treatment. We compared 3 groups: (a) male veterans who endorsed a history of MSA (n = 39), (b) a general non-MSA sample (n = 2,003), and (c) a matched non-MSA sample (n = 39) identified by matching algorithms on the basis of factors (e.g., age, education, adult premilitary sexual trauma history, childhood sexual and physical trauma history, and race) that could increase veterans' vulnerability to the functional correlates examined. MSA in men was associated with greater PTSD symptom severity, greater depression symptom severity, higher suicidality, and higher outpatient mental health treatment, above and beyond the effects of vulnerability factors. These findings suggest that, for male veterans, MSA may result in a severe and enduring overall symptom profile requiring ongoing clinical management. (c) 2015 APA, all rights reserved).

  5. FT-IR and Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometries and atomic charges of uracil and 5-halogenated uracils (5-X-uracils; X = F, Cl, Br, I)

    Science.gov (United States)

    Singh, J. S.

    2014-01-01

    Raman (200-4000 cm-1) and FT-IR (400-4000 cm-1) spectra of uracil and 5-halogenated uracils (5-X-uracils; X = F, Cl, Br, I) have been recorded and analyzed in the range 200-4000 cm-1. The optimized molecular geometries, atomic polar tensor (APT) charges and vibrational characteristics have been studied theoretically using restricted Hartree-Fock (RHF) and density functional theory (DFT) methods. Ab initio and DFT calculations [using Becke's exchange in conjunction with Lee-Yang-Parr's correlation functional and Becke's three-parameter hybrid method (B3LYP)] were carried out to study the optimized molecular fundamental vibrational frequencies for uracil and 5-halogenated uracils by employing Gaussian-03 program. Gauss View software was used to make the vibrational analysis. Raman and IR spectra have been computed theoretically for the uracil and 5-halogenated molecules. The fundamental vibrational frequencies along with their corresponding intensities in IR and Raman activities and depolarization ratios of the Raman lines have also been calculated using the RHF and DFT methods employing different basis sets. Quantum chemical calculations helped in the reassignments of some fundamental vibrational modes. Most of the B3LYP/6-311++G∗∗ vibrational frequencies are in excellent agreement with available experimental assignments. The ring breathing and kekule stretching modes are found to lower magnitudes compared to those for uracil which could be due to mass effect of halogen atom in place of the hydrogen atom. The C-X (X = F, Cl, Br, I) stretching frequency is distinctly separated from the CH/NH ring stretching frequencies on the pyrimidine ring. All other bands have also been assigned different fundamentals/overtones/combinations.

  6. Free vibration analysis of a rotary smart two directional functionally graded piezoelectric material in axial symmetry circular nanoplate

    Science.gov (United States)

    Mahinzare, Mohammad; Ranjbarpur, Hosein; Ghadiri, Majid

    2018-02-01

    In this article, free vibration of a rotating circular nanoplate made of two directional functionally graded piezo materials (two directional FGPM) is modeled based on the first shear deformation theory (FSDT). Based on the power-law model, electro-elastic properties of two directional FGP rotating circular nanoplates are supposed to change continuously along the thickness and radius. Employing the modified couple stress theory, the small size effect of the equations of the plate is considered. The governing equations of the first shear deformation theory (FSDT) for the studied plate are obtained based on Hamilton's principle; these equations are solved using differential quadrature method (DQM). It is shown that the vibration behavior of the plate is significantly affected by angular velocity, external electric voltage, size dependency and power-law index (thickness and radial directions).

  7. Formation and function of chromate conversion coating on aircraft aluminum alloy probed by vibrational spectroscopy

    Science.gov (United States)

    Xia, Lin

    2000-10-01

    A Chromate Conversion Coating (CCC) is currently one of the most effective methods for protecting aluminum alloys from corrosion. Its unique "self-healing" property has been proved to be critical in corrosion prevention. During the formation process, CrVI, is "stored" in the CCC films. Under in-field conditions, most of the CrVI can leach out and diffuse to local defects, and stop corrosion. However, the involvement of highly toxic CrVI makes CCC system environmentally hazardous. In order to find less-toxic alternatives, the formation and protection mechanisms of CCC must be understood. Formation and function of CCC film are the focus of this study, and vibrational spectroscopy was chosen due to its superior structural sensitivity. First, the structure of CCC film was characterized. The structural similarity between CCC film and a synthetic Cr-mixed-oxide was found, and certain tests were conducted on the bulk synthetic powder which were not feasible on the thin film. All of the structural studies indicated that CCC film is mainly a CrIII-hydroxide gel layer, which adsorbs CrVI-oxy species through CrIII-O-Cr VI chemical bonds. Further analysis revealed the reversible Cr III-CrVI adsorption-desorption equilibrium, and a mathematical model ("Langmuir" model) was established to explain the Cr VI storage-release mechanism quantitatively. In addition, the function of Fe(CN)63-, an additive in the coating solution, was studied. The results indicate that Fe(CN)63- mediates the slow reaction between Al and CrVI, and the mediation mechanism can be illustrated as below: FeCN 3- 6+Al=FeCN 4-6+Al3+ ↑ FeCN 4- 6+CrVI=FeCN 3-6+CrIII In general, the formation of CCC is mediated by Fe(CN)63-, thus Al reduces CrVI quickly and generates CrIII-hydroxide on the alloy surface. The nascent CrIII-hydroxide is chemically active enough to form chemical bonds with CrVI from the solution, through Cr III-O-CrVI bonding. Such CrIII-O-Cr VI structure can form and break up reversibly according

  8. Aging of vestibular function evaluated using correlational vestibular autorotation test

    Directory of Open Access Journals (Sweden)

    Hsieh LC

    2014-09-01

    Full Text Available Li-Chun Hsieh,1,2 Hung-Ching Lin,2,3 Guo-She Lee4,5 1Institute of Brain Science, School of Medicine, National Yang-Ming University, Taipei, Taiwan; 2Department of Otolaryngology, Mackay Memorial Hospital, Taipei, Taiwan; 3Department of Audiology and Speech Language Pathology, Mackay Memorial Medical College, Taipei, Taiwan; 4Faculty of Medicine, School of Medicine, National Yang-Ming University, Taipei, Taiwan; 5Department of Otolaryngology, Taipei City Hospital, Ren-Ai Branch, Taipei, Taiwan Background: Imbalance from degeneration of vestibular end organs is a common problem in the elderly. However, the decline of vestibular function with aging was revealed in few vestibular function tests such as vestibular autorotation test (VAT. In the current VAT, there are drawbacks of poor test–retest reliability, slippage of the sensor at high-speed rotations, and limited data about the effect of aging. We developed a correlational-VAT (cVAT system that included a small, light sensor (less than 20 g with wireless data transmission technique to evaluate the aging of vestibular function. Material and methods: We enrolled 53 healthy participants aged between 25 and 75 years and divided them into five age groups. The test conditions were vertical and horizontal head autorotations of frequencies from 0 to 3 Hz with closed eyes or open eyes. The cross-correlation coefficient (CCC between eye velocity and head velocity was obtained for the head autorotations between 1 Hz and 3 Hz. The mean of the CCCs was used to represent the vestibular function. Results: Age was significantly and negatively correlated with the mean CCC for all test conditions, including horizontal or vertical autorotations with open eyes or closed eyes (P<0.05. The mean CCC with open eyes declined significantly at 55–65 years old and the mean CCC with closed eyes declined significantly at 65–75 years old.Conclusion: Vestibular function evaluated using mean CCC revealed a decline with

  9. Structural and functional neural correlates of music perception.

    Science.gov (United States)

    Limb, Charles J

    2006-04-01

    This review article highlights state-of-the-art functional neuroimaging studies and demonstrates the novel use of music as a tool for the study of human auditory brain structure and function. Music is a unique auditory stimulus with properties that make it a compelling tool with which to study both human behavior and, more specifically, the neural elements involved in the processing of sound. Functional neuroimaging techniques represent a modern and powerful method of investigation into neural structure and functional correlates in the living organism. These methods have demonstrated a close relationship between the neural processing of music and language, both syntactically and semantically. Greater neural activity and increased volume of gray matter in Heschl's gyrus has been associated with musical aptitude. Activation of Broca's area, a region traditionally considered to subserve language, is important in interpreting whether a note is on or off key. The planum temporale shows asymmetries that are associated with the phenomenon of perfect pitch. Functional imaging studies have also demonstrated activation of primitive emotional centers such as ventral striatum, midbrain, amygdala, orbitofrontal cortex, and ventral medial prefrontal cortex in listeners of moving musical passages. In addition, studies of melody and rhythm perception have elucidated mechanisms of hemispheric specialization. These studies show the power of music and functional neuroimaging to provide singularly useful tools for the study of brain structure and function.

  10. Fast methods for spatially correlated multilevel functional data

    KAUST Repository

    Staicu, A.-M.

    2010-01-19

    We propose a new methodological framework for the analysis of hierarchical functional data when the functions at the lowest level of the hierarchy are correlated. For small data sets, our methodology leads to a computational algorithm that is orders of magnitude more efficient than its closest competitor (seconds versus hours). For large data sets, our algorithm remains fast and has no current competitors. Thus, in contrast to published methods, we can now conduct routine simulations, leave-one-out analyses, and nonparametric bootstrap sampling. Our methods are inspired by and applied to data obtained from a state-of-the-art colon carcinogenesis scientific experiment. However, our models are general and will be relevant to many new data sets where the object of inference are functions or images that remain dependent even after conditioning on the subject on which they are measured. Supplementary materials are available at Biostatistics online.

  11. Modeling Carbon Nanostructures with the Self-Consistent Charge Density-Functional Tight-Binding Method: Vibrational Spectra and Electronic Structure of C₂₈, C₆₀, and C₇₀

    Energy Technology Data Exchange (ETDEWEB)

    Witek, Henryk A.; Irle, Stephen; Zheng, Guishan; De Jong, Wibe A.; Morokuma, Keiji

    2006-12-07

    The self-consistent charge density-functional tight-binding (SCC-DFTB) method is employed for studying various molecular properties of small fullerenes: C₂₈, C₆₀, and C₇₀. The computed optimized bond distances, vibrational infrared and Raman spectra, vibrational densities of states, and electronic densities of states are compared with experiment (where available) and density functional theory (DFT) calculations using various basis sets. The presented DFT benchmark calculations using the correlation-consistent polarized valence triple zeta (cc-pVTZ) basis set of Dunning are at present the most extensive calculations on harmonic frequencies of these species. Possible limitations of the SCC-DFTB method for the prediction of molecular vibrational and optical properties are discussed. The presented results suggest that SCC-DFTB is a computationally feasible and reliable method for predicting vibrational and electronic properties of such carbon nanostructures comparable in accuracy with small to medium size basis set DFT calculations at the computational cost of standard semiempirical methods.

  12. A new model based on group theory for correlating vibrational displacement vectors of attached atoms and shapes of the central atom otbitals in ABn(n=2-5 molecules

    Directory of Open Access Journals (Sweden)

    R. Tayebee

    2003-12-01

    Full Text Available   Stretching and bending normal vibrations of AB2(C2v, AB3(D3h, AB4(D4h, and AB5(D3h molecules are described by correlating the vibrational displacement vectors of the attached atoms with the standard representations of s, p and d atomic orbitals of the central atom in ABn(n=2-5 molecules. It is found that stretching and bending normal vibrations of simple molecules accord with probability density of hybrid orbitals of the central atom. So, stretching and bending normal vibrations can be determined based on the irreducible representations of each vibration, and symbols for the representations which are suggested by Muliken.

  13. Damage detection of metro tunnel structure through transmissibility function and cross correlation analysis using local excitation and measurement

    Science.gov (United States)

    Feng, Lei; Yi, Xiaohua; Zhu, Dapeng; Xie, Xiongyao; Wang, Yang

    2015-08-01

    In a modern metropolis, metro rail systems have become a dominant mode for mass transportation. The structural health of a metro tunnel is closely related to public safety. Many vibration-based techniques for detecting and locating structural damage have been developed in the past several decades. However, most damage detection techniques and validation tests are focused on bridge and building structures; very few studies have been reported on tunnel structures. Among these techniques, transmissibility function and cross correlation analysis are two well-known diagnostic approaches. The former operates in frequency domain and the latter in time domain. Both approaches can be applied to detect and locate damage through acceleration data obtained from sensor arrays. Furthermore, the two approaches can directly utilize structural response data without requiring excitation measurement, which offers advantages in field testing on a large structure. In this research, a numerical finite element model of a metro tunnel is built and different types of structural defects are introduced at multiple locations of the tunnel. Transmissibility function and cross correlation analysis are applied to perform structural damage detection and localization, based on simulated structural vibration data. Numerical results demonstrate that the introduced defects can be successfully identified and located. The sensitivity and feasibility of the two approaches have been verified when sufficient distribution of measurement locations is available. Damage detection results of the two different approaches are compared and discussed.

  14. Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems.

    Science.gov (United States)

    Gagliardi, Laura; Truhlar, Donald G; Li Manni, Giovanni; Carlson, Rebecca K; Hoyer, Chad E; Bao, Junwei Lucas

    2017-01-17

    The electronic energy of a system provides the Born-Oppenheimer potential energy for internuclear motion and thus determines molecular structure and spectra, bond energies, conformational energies, reaction barrier heights, and vibrational frequencies. The development of more efficient and more accurate ways to calculate the electronic energy of systems with inherently multiconfigurational electronic structure is essential for many applications, including transition metal and actinide chemistry, systems with partially broken bonds, many transition states, and most electronically excited states. Inherently multiconfigurational systems are called strongly correlated systems or multireference systems, where the latter name refers to the need for using more than one ("multiple") configuration state function to provide a good zero-order reference wave function. This Account describes multiconfiguration pair-density functional theory (MC-PDFT), which was developed as a way to combine the advantages of wave function theory (WFT) and density functional theory (DFT) to provide a better treatment of strongly correlated systems. First we review background material: the widely used Kohn-Sham DFT (which uses only a single Slater determinant as reference wave function), multiconfiguration WFT methods that treat inherently multiconfigurational systems based on an active space, and previous attempts to combine multiconfiguration WFT with DFT. Then we review the formulation of MC-PDFT. It is a generalization of Kohn-Sham DFT in that the electron kinetic energy and classical electrostatic energy are calculated from a reference wave function, while the rest of the energy is obtained from a density functional. However, there are two main differences with respent to Kohn-Sham DFT: (i) The reference wave function is multiconfigurational rather than being a single Slater determinant. (ii) The density functional is a function of the total density and the on-top pair density rather than

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

    Science.gov (United States)

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

    2016-01-30

    Anorexia nervosa (AN) is a disorder characterized by high levels of cognitive control and behavioral perseveration. The present study aims at exploring inhibitory control abilities and their functional connectivity correlates in patients with AN. Inhibitory control - an executive function that allows the realization of adaptive behavior according to environmental contingencies - has been assessed by means of the Stop-Signal paradigm. The study involved 155 patients with lifetime AN and 102 healthy women. A subsample underwent resting-state functional magnetic resonance imaging and was genotyped for COMT and 5-HTTLPR polymorphisms. AN patients showed an impaired response inhibition and a disruption of the functional connectivity of the ventral attention circuit, a neural network implicated in behavioral response when a stimulus occurs unexpected. The 5-HTTLPR genotype appears to significantly interact with the functional connectivity of ventral attention network in explaining task performance in both patients and controls, suggesting a role of the serotoninergic system in mechanisms of response selection. The disruption of the ventral attention network in patients with AN suggests lower efficiency of bottom-up signal filtering, which might be involved in difficulties to adapt behavioral responses to environmental needs. Our findings deserve further research to confirm their scientific and therapeutic implications. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

  16. Electron energy and vibrational distribution functions of carbon monoxide in nanosecond atmospheric discharges and microsecond afterglows

    Science.gov (United States)

    Pietanza, L. D.; Colonna, G.; Capitelli, M.

    2017-12-01

    Nanopulse atmospheric carbon monoxide discharges and corresponding afterglows have been investigated in a wide range of applied reduced electric field (130 kinetics of vibrational and electronic excited states as well as to a simplified plasma chemistry for the different species formed during the activation of CO. The molar fraction of electronically excited states generated in the discharge is sufficient to create structures in the EEDF in the afterglow regime. On the other hand, only for long duration pulses (i.e. 50 ns), non-equilibrium vibrational distributions can be observed especially in the afterglow. The trend of the results for the case study E/N = 200 Td, \\text{pulse}=2$ ns is qualitatively and quantitatively similar to the corresponding case for CO2 implying that the activation of CO2 by cold plasmas should take into account the kinetics of formed CO with the same accuracy as the CO2 itself.

  17. Analytical correlation functions for motion through diffusivity landscapes

    Science.gov (United States)

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

    2016-05-01

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

  18. Porous Organic Materials: Strategic Design and Structure-Function Correlation.

    Science.gov (United States)

    Das, Saikat; Heasman, Patrick; Ben, Teng; Qiu, Shilun

    2017-02-08

    Porous organic materials have garnered colossal interest with the scientific fraternity due to their excellent gas sorption performances, catalytic abilities, energy storage capacities, and other intriguing applications. This review encompasses the recent significant breakthroughs and the conventional functions and practices in the field of porous organic materials to find useful applications and imparts a comprehensive understanding of the strategic evolution of the design and synthetic approaches of porous organic materials with tunable characteristics. We present an exhaustive analysis of the design strategies with special emphasis on the topologies of crystalline and amorphous porous organic materials. In addition to elucidating the structure-function correlation and state-of-the-art applications of porous organic materials, we address the challenges and restrictions that prevent us from realizing porous organic materials with tailored structures and properties for useful applications.

  19. Flap-wise and chord-wise vibrations of axially functionally graded tapered beams rotating around a hub

    Science.gov (United States)

    Mazanoglu, Kemal; Guler, Serkan

    2017-05-01

    This paper presents flap-wise and chord-wise flexural vibration analyses for centrifugally stiffened tapered beams made of functionally graded material in axial direction. Functions of material properties varying along beam are defined in terms of the power law distribution. Calculations are conducted by simple computation technique of the Rayleigh-Ritz method that uses simple shape functions and energy expressions written for centrifugally stiffened Euler-Bernoulli beams. Effects of taper ratio, hub radius, angular velocity and non-homogeneity are inspected for the thin beams with several classical boundary conditions. Results given as non-dimensional natural frequencies are validated by the results given in existing literature and/or the outputs of finite element analyses performed for axially functionally graded solid beam. Achievements and limitations of the method are discussed and clearly reflected.

  20. Pair correlation functions of strongly coupled two-temperature plasma

    Science.gov (United States)

    Shaffer, Nathaniel R.; Tiwari, Sanat Kumar; Baalrud, Scott D.

    2017-09-01

    Using molecular dynamics simulations, we perform the first direct tests of three proposed models for the pair correlation functions of strongly coupled plasmas with species of unequal temperature. The models are all extensions of the Ornstein-Zernike/hypernetted-chain theory used to good success for equilibrium plasmas. Each theory is evaluated at several coupling strengths, temperature ratios, and mass ratios for a model plasma in which the electrons are positively charged. We show that the model proposed by Seuferling et al. [Phys. Rev. A 40, 323 (1989)] agrees well with molecular dynamics over a wide range of mass and temperature ratios, as well as over a range of coupling strength similar to that of the equilibrium hypernetted-chain (HNC) theory. The SVT model also correctly predicts the strength of interspecies correlations and exhibits physically reasonable long-wavelength limits of the static structure factors. Comparisons of the SVT model with the Yukawa one-component plasma (YOCP) model are used to show that ion-ion pair correlations are well described by the YOCP model up to Γe≈1 , beyond which it rapidly breaks down.

  1. Correlating Function and Imaging Measures of the Medial Longitudinal Fasciculus.

    Directory of Open Access Journals (Sweden)

    Ken Sakaie

    Full Text Available To test the validity of diffusion tensor imaging (DTI measures of tissue injury by examining such measures in a white matter structure with well-defined function, the medial longitudinal fasciculus (MLF. Injury to the MLF underlies internuclear ophthalmoparesis (INO.40 MS patients with chronic INO and 15 healthy controls were examined under an IRB-approved protocol. Tissue integrity of the MLF was characterized by DTI parameters: longitudinal diffusivity (LD, transverse diffusivity (TD, mean diffusivity (MD and fractional anisotropy (FA. Severity of INO was quantified by infrared oculography to measure versional disconjugacy index (VDI.LD was significantly lower in patients than in controls in the medulla-pons region of the MLF (p < 0.03. FA was also lower in patients in the same region (p < 0.0004. LD of the medulla-pons region correlated with VDI (R = -0.28, p < 0.05 as did FA in the midbrain section (R = 0.31, p < 0.02.This study demonstrates that DTI measures of brain tissue injury can detect injury to a functionally relevant white matter pathway, and that such measures correlate with clinically accepted evaluation indices for INO. The results validate DTI as a useful imaging measure of tissue integrity.

  2. A functional correlate of severity in alternating hemiplegia of childhood.

    Science.gov (United States)

    Li, Melody; Jazayeri, Dana; Corry, Ben; McSweeney, K Melodi; Heinzen, Erin L; Goldstein, David B; Petrou, Steven

    2015-05-01

    Mutations in ATP1A3, the gene that encodes the α3 subunit of the Na(+)/K(+) ATPase, are the primary cause of alternating hemiplegia of childhood (AHC). Correlations between different mutations and AHC severity were recently reported, with E815K identified in severe and D801N and G947R in milder cases. This study aims to explore the molecular pathological mechanisms in AHC and to identify functional correlates for mutations associated with different levels of disease severity. Human wild type ATP1A3, and E815K, D801N and G947R mutants were expressed in Xenopus laevis oocytes and Na(+)/K(+) ATPase function measured. Structural homology models of the human α3 subunit containing AHC mutations were created. The AHC mutations examined all showed similar levels of reduction in forward cycling. Wild type forward cycling was reduced by coexpression with any mutant, indicating dominant negative interactions. Proton transport was measured and found to be selectively impaired only in E815K. Homology modeling showed that D801 and G947 lie within or near known cation binding sites while E815 is more distal. Despite its effect on proton transport, E815K was also distant from the proposed proton transport route. Loss of forward cycling and dominant negativity are common and likely necessary pathomechanisms for AHC. In addition, loss of proton transport correlated with severity of AHC. D801N and G947R are likely to directly disrupt normal Na(+)/K(+) binding while E815K may disrupt forward cycling and proton transport via allosteric mechanisms yet to be elucidated. Copyright © 2015 Elsevier Inc. All rights reserved.

  3. Research on Free Vibration Frequency Characteristics of Rotating Functionally Graded Material Truncated Conical Shells with Eccentric Functionally Graded Material Stringer and Ring Stiffeners

    Directory of Open Access Journals (Sweden)

    Dao Van Dung

    Full Text Available Abstract In this research work, an exact analytical solution for frequency characteristics of the free vibration of rotating functionally graded material (FGM truncated conical shells reinforced by eccentric FGM stringers and rings has been investigated by the displacement function method. Material properties of shell and stiffeners are assumed to be graded in the thickness direction according to a simple power law distribution. The change of spacing between stringers is considered. Using the Donnell shell theory, Leckhnisky smeared stiffeners technique and taking into account the influences of centrifugal force and Coriolis acceleration the governing equations are derived. For stiffened FGM conical shells, it is difficult that free vibration equations are a couple set of three variable coefficient partial differential equations. By suitable transformations and applying Galerkin method, this difficulty is overcome in the paper. The sixth order polynomial equation for w is obtained and it is used to analyze the frequency characteristics of rotating ES-FGM conical shells. Effects of stiffener, geometrics parameters, cone angle, vibration modes and rotating speed on frequency characteristics of the shell forward and backward wave are discussed in detail. The present approach proves to be reliable and accurate by comparing with published results available in the literature.

  4. Correlation functions from a unified variational principle: Trial Lie groups

    Energy Technology Data Exchange (ETDEWEB)

    Balian, R., E-mail: roger.balian@cea.fr [Institut de Physique Théorique, CEA Saclay, 91191 Gif-sur-Yvette cedex (France); Vénéroni, M. [Institut de Physique Nucléaire, Université Paris-Sud and IN2P3-CNRS, F-91406 Orsay cedex (France)

    2015-11-15

    Time-dependent expectation values and correlation functions for many-body quantum systems are evaluated by means of a unified variational principle. It optimizes a generating functional depending on sources associated with the observables of interest. It is built by imposing through Lagrange multipliers constraints that account for the initial state (at equilibrium or off equilibrium) and for the backward Heisenberg evolution of the observables. The trial objects are respectively akin to a density operator and to an operator involving the observables of interest and the sources. We work out here the case where trial spaces constitute Lie groups. This choice reduces the original degrees of freedom to those of the underlying Lie algebra, consisting of simple observables; the resulting objects are labeled by the indices of a basis of this algebra. Explicit results are obtained by expanding in powers of the sources. Zeroth and first orders provide thermodynamic quantities and expectation values in the form of mean-field approximations, with dynamical equations having a classical Lie–Poisson structure. At second order, the variational expression for two-time correlation functions separates–as does its exact counterpart–the approximate dynamics of the observables from the approximate correlations in the initial state. Two building blocks are involved: (i) a commutation matrix which stems from the structure constants of the Lie algebra; and (ii) the second-derivative matrix of a free-energy function. The diagonalization of both matrices, required for practical calculations, is worked out, in a way analogous to the standard RPA. The ensuing structure of the variational formulae is the same as for a system of non-interacting bosons (or of harmonic oscillators) plus, at non-zero temperature, classical Gaussian variables. This property is explained by mapping the original Lie algebra onto a simpler Lie algebra. The results, valid for any trial Lie group, fulfill

  5. Improving Functional MRI Registration Using Whole-Brain Functional Correlation Tensors.

    Science.gov (United States)

    Zhou, Yujia; Yap, Pew-Thian; Zhang, Han; Zhang, Lichi; Feng, Qianjin; Shen, Dinggang

    2017-09-01

    Population studies of brain function with resting-state functional magnetic resonance imaging (rs-fMRI) largely rely on the accurate inter-subject registration of functional areas. This is typically achieved through registration of the corresponding T1-weighted MR images with more structural details. However, accumulating evidence has suggested that such strategy cannot well-align functional regions which are not necessarily confined by the anatomical boundaries defined by the T1-weighted MR images. To mitigate this problem, various registration algorithms based directly on rs-fMRI data have been developed, most of which have utilized functional connectivity (FC) as features for registration. However, most of the FC-based registration methods usually extract the functional features only from the thin and highly curved cortical grey matter (GM), posing a great challenge in accurately estimating the whole-brain deformation field. In this paper, we demonstrate that the additional useful functional features can be extracted from brain regions beyond the GM, particularly, white-matter (WM) based on rs-fMRI, for improving the overall functional registration. Specifically, we quantify the local anisotropic correlation patterns of the blood oxygenation level-dependent (BOLD) signals, modeled by functional correlation tensors (FCTs), in both GM and WM. Functional registration is then performed based on multiple components of the whole-brain FCTs using a multichannel Large Deformation Diffeomorphic Metric Mapping (mLDDMM) algorithm. Experimental results show that our proposed method achieves superior functional registration performance, compared with other conventional registration methods.

  6. Correlation functions in ω-deformed N=6 supergravity

    Energy Technology Data Exchange (ETDEWEB)

    Borghese, A.; Pang, Y. [George P. & Cynthia Woods Mitchell Institute for Fundamental Physics and Astronomy,Texas A& M University,College Station, TX 77843 (United States); Pope, C.N. [George P. & Cynthia Woods Mitchell Institute for Fundamental Physics and Astronomy,Texas A& M University,College Station, TX 77843 (United States); DAMTP, Centre for Mathematical Sciences, Cambridge University,Wilberforce Road, Cambridge CB3 OWA (United Kingdom); Sezgin, E. [George P. & Cynthia Woods Mitchell Institute for Fundamental Physics and Astronomy,Texas A& M University,College Station, TX 77843 (United States)

    2015-02-17

    Gauged N=8 supergravity in four dimensions is now known to admit a deformation characterized by a real parameter ω lying in the interval 0≤ω≤π/8. We analyse the fluctuations about its anti-de Sitter vacuum, and show that the full N=8 supersymmetry can be maintained by the boundary conditions only for ω=0. For non-vanishing ω, and requiring that there be no propagating spin s>1 fields on the boundary, we show that N=3 is the maximum degree of supersymmetry that can be preserved by the boundary conditions. We then construct in detail the consistent truncation of the N=8 theory to give ω-deformed SO(6) gauged N=6 supergravity, again with ω in the range 0≤ω≤π/8. We show that this theory admits fully N=6 supersymmetry-preserving boundary conditions not only for ω=0, but also for ω=π/8. These two theories are related by a U(1) electric-magnetic duality. We observe that the only three-point functions that depend on ω involve the coupling of an SO(6) gauge field with the U(1) gauge field and a scalar or pseudo-scalar field. We compute these correlation functions and compare them with those of the undeformed N=6 theory. We find that the correlation functions in the ω=π/8 theory holographically correspond to amplitudes in the U(N){sub k}×U(N){sub −k} ABJM model in which the U(1) Noether current is replaced by a dynamical U(1) gauge field. We also show that the ω-deformed N=6 gauged supergravities can be obtained via consistent reductions from the eleven-dimensional or ten-dimensional type IIA supergravities.

  7. Approximations for the direct correlation function in multicomponent molecular fluids

    Science.gov (United States)

    Chamoux, A.; Perera, A.

    1996-01-01

    Analytical approximations for the pair direct correlation function (DCF) of molecular fluids and their mixtures are derived within the frame of a new formalism based on weighted density functional methods which represents a generalization of Rosenfeld theory for hard spheres mixtures [J. Chem. Phys. 89, 4271 (1988)]. These approximations rest upon the geometrical properties of individual molecules such as the volume, the surface, and the mean radius. They are Percus-Yevick (PY) like in nature and reduce to the analytical PY solution for DCF in the hard sphere case. By construction the approximations incorporate several interesting features: They yield the Mayer function in the low density limit as expected, and they are anisotropic at zero separation as well as at contact. In addition they predict an orientational instability of the isotropic phase with respect to the nematic phase, a feature that is absent from the Percus-Yevick theory. Comparisons are made with the Percus-Yevick numerical results for the DCF for various convex hard bodies such as hard ellipsoids of revolutions (prolate and oblate), prolate spherocylinders, cutspheres, and generally the agreement is very good for a large range of liquid densities. Analytical expressions for the virial and compressibility routes for the pressures are also given. The results obtained for a large varieties of convex bodies are in very good agreement with corresponding numerical Percus-Yevick results. These approximations can be generalized to inhomogeneous systems in a straightforward manner.

  8. Eshelby-Mori-Tanaka approach for vibrational behavior of functionally graded carbon nanotube-reinforced plate resting on elastic foundation

    Energy Technology Data Exchange (ETDEWEB)

    Kamarian, S.; Pourasghar, A. [Islamic Azad University, Kermanshah (Iran, Islamic Republic of); Yas, M. H. [Razi University, Kermanshah (Iran, Islamic Republic of)

    2013-11-15

    In this study, based on the three-dimensional theory of elasticity, free vibration characteristics of functionally graded (FG) nanocomposite plates reinforced by randomly-oriented straight single-walled carbon nanotubes (SWCNTs) resting on an elastic foundation are considered. Material properties are graded in the thickness direction of the plate according to the volume fraction power law distribution. An embedded carbon nanotube (CNT) in a polymer matrix and its surrounding inter-phase which is perfectly bonded to surrounding resin is replaced with an equivalent fiber to predict the mechanical properties of the carbon nanotube/polymer composite. The Mori-Tanaka approach is employed to calculate the effective elastic moduli of the plate. The natural frequencies of the plate are obtained by means of the generalized differential quadrature (GDQ) method. Detailed parametric studies have been carried out to investigate the influences of the CNT volume fraction, Winkler foundation modulus, shear elastic foundation modulus and various geometrical parameters on the vibration behavior of the functionally graded carbon nanotube-reinforced (FG-CNTR) plates.

  9. Response and correlation functions of nonlinear systems in equilibrium states

    Science.gov (United States)

    Xu, Lubo; Wang, Lei

    2017-11-01

    In this paper, we study systematically a serial of correlation functions in some one-dimensional nonlinear lattices. Due to the energy conservation law, they are implicitly interdependent. Various transport coefficients are thus also connected. In the studies of the autocorrelations of local energy density and of local heat current, a general relation between diverging heat conduction and super heat diffusion has been proposed recently. We clarify that such a relation is valid only in systems without temperature pressure. In those with temperature pressure, a constant but nontrivial term appears. This term explains a previously observed fact that heat diffusion in such systems is always ballistic but heat conduction can diverge very slowly. Such a result not only disproves the existence of any general relation between diverging heat conduction and super heat diffusion, but it also breaks the long-term presumption that ballistic heat conduction and diffusion always coexist.

  10. Direct correlation functions in two-dimensional anisotropic fluids

    Science.gov (United States)

    Chamoux, Antoine; Perera, Aurelien

    1998-08-01

    A geometrical approximation for the direct correlation of two-dimensional multicomponent fluids is introduced herein. This approximation is semianalytical and involves the knowledge of elementary geometrical properties of a single particle. The formalism is applied to anisotropic two-dimensional fluids of various particle shapes such as hard ellipses, diskorectangles, and cut disks of various size ratios. The particular case of the hard needles fluid is also investigated. The accuracy of the approximation is tested by comparing the equation of state and the correlation functions to those obtained by integral equation techniques and Monte Carlo simulations. In almost all cases these comparisons are found to be quite satisfactory and even excellent in the case of moderate size ratios. Both the isotropic and orientationally ordered phases are investigated and particular attention is paid to the orientational stability of the isotropic phase. The cut disk fluid has a particularly interesting long-range order for thicknesses around 0.3, which is very much reminiscent of the cubatic order observed in the corresponding three-dimensional case of cut spheres. This feature observable by both the simulations and the hypernetted chain integral equation is also predicted by the present geometrical theory, but at larger thicknesses.

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

    Directory of Open Access Journals (Sweden)

    Pablo Billeke

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

  12. Damage Detection of Structures for Ambient Loading Based on Cross Correlation Function Amplitude and SVM

    Directory of Open Access Journals (Sweden)

    Lin-sheng Huo

    2016-01-01

    Full Text Available An effective method for the damage detection of skeletal structures which combines the cross correlation function amplitude (CCFA with the support vector machine (SVM is presented in this paper. The proposed method consists of two stages. Firstly, the data features are extracted from the CCFA, which, calculated from dynamic responses and as a representation of the modal shapes of the structure, changes when damage occurs on the structure. The data features are then input into the SVM with the one-against-one (OAO algorithm to classify the damage status of the structure. The simulation data of IASC-ASCE benchmark model and a vibration experiment of truss structure are adopted to verify the feasibility of proposed method. The results show that the proposed method is suitable for the damage identification of skeletal structures with the limited sensors subjected to ambient excitation. As the CCFA based data features are sensitive to damage, the proposed method demonstrates its reliability in the diagnosis of structures with damage, especially for those with minor damage. In addition, the proposed method shows better noise robustness and is more suitable for noisy environments.

  13. Structural Stability and Vibration

    DEFF Research Database (Denmark)

    Wiggers, Sine Leergaard; Pedersen, Pauli

    This book offers an integrated introduction to the topic of stability and vibration. Strikingly, it describes stability as a function of boundary conditions and eigenfrequency as a function of both boundary conditions and column force. Based on a post graduate course held by the author at the Uni......This book offers an integrated introduction to the topic of stability and vibration. Strikingly, it describes stability as a function of boundary conditions and eigenfrequency as a function of both boundary conditions and column force. Based on a post graduate course held by the author...... and their derivation, thus stimulating them to write interactive and dynamic programs to analyze instability and vibrational modes....

  14. Molecular structures and vibrational frequencies of xanthine and its methyl derivatives (caffeine and theobromine) by ab initio Hartree-Fock and density functional theory calculations

    Science.gov (United States)

    Ucun, Fatih; Sağlam, Adnan; Güçlü, Vesile

    2007-06-01

    The molecular structures, vibrational frequencies and corresponding vibrational assignments of xanthine and its methyl derivatives (caffeine and theobromine) have been calculated using ab initio Hartree-Fock (HF) and density functional theory (B3LYP) methods with 6-31G(d, p) basis set level. The calculations were utilized to the CS symmetries of the molecules. The obtained vibrational frequencies and optimised geometric parameters (bond lengths and bond angles) were seen to be well agreement with the experimental data. The used scale factors which have been obtained the ratio of the frequency values of the strongest peaks in the calculated and experimental spectra seem to cause the gained vibrations well corresponding to the experimental ones. Theoretical infrared intensities and Raman activities are also reported.

  15. Behavioral correlates of anxiety in well-functioning older adults.

    Science.gov (United States)

    Losada, Andrés; Márquez-González, María; Pachana, Nancy A; Wetherell, Julie L; Fernández-Fernández, Virginia; Nogales-González, Celia; Ruiz-Díaz, Miguel

    2015-07-01

    Research on the behavioral correlates of anxiety in older adults is sparse. The aim of this study was to explore the association of anxiety with behavioral patterns defined by health, activity, emotional and social variables. A convenience sample of 395 older adults completed measures of health, activity, emotions, social variables and experiential avoidance. Cross-sectional data were analysed using cluster analysis. Five clusters were identified: active healthy, healthy, active vulnerable, lonely inactive and frail lonely. Participants in the active healthy and healthy clusters showed the highest scores on health variables (vitality and physical function), and adaptive scores on the rest of variables. They also reported the lowest scores on anxiety and included the lowest number of cases with clinically significant anxiety levels. Active vulnerable showed high scores on social support, leisure activities and capitalization on them but low scores in vitality and physical functioning. Participants in the lonely inactive cluster reported the highest mean score in experiential avoidance and high scores on boredom and loneliness, and low scores on social support, leisure activities capitalizing on pleasant activities and health variables. Frail lonely represent a particularly vulnerable profile of participants, similar to that of lonely inactive, but with significantly lower scores on health variables and higher scores on boredom and hours watching TV. Anxiety in older adults is not only linked to poor health, but also to dysfunctional social behavior, loneliness, boredom and experiential avoidance. Maladaptive profiles of older adults with regard to these variables have been identified.

  16. Patients' satisfaction and functional assessment of existing complete dentures: correlation with objective masticatory function.

    Science.gov (United States)

    De Lucena, S C; Gomes, S G F; Da Silva, W J; Del Bel Cury, A A

    2011-06-01

    The aim of this study was to evaluate the correlation between patients' and dentist's assessment of dentures and to correlate these variables with objective measures of masticatory function. A sample of 28 edentulous individuals was selected, all wearing both complete dentures for at least 6 months and with no signs or symptoms of temporomandibular joint disorders. They rated their level of satisfaction with their dentures from 0 to 100 by means of a visual analogue scale, and dentures were scored by a dentist from 0 to 9 considering functional aspects. Tooth wear was evaluated on the posterior teeth of dentures considering the lack of occlusal anatomy. Masticatory performance and swallowing threshold tests were performed with an artificial test food (Optocal), and the median particle size was determined by the sieving method. The results showed that the mean satisfaction value of volunteers with their dentures was 49·1 and the median score of dentist's evaluation was 6. The Spearman correlation coefficient revealed no significant correlation between patients' and dentist's assessment of dentures (P>0·05). The median particle size for masticatory performance and swallowing thresholds was 5·5 ± 1·0 and 4·9 ± 1·2 mm, respectively. Data of both masticatory tests showed no significant correlation with patients' satisfaction or with dentist's evaluation of dentures. There was no difference of food comminution between subjects with and without excessive posterior tooth wear. It can be concluded that dentist's and patients' assessment of dentures were not correlated, and no correlation was observed between these variables and masticatory function. © 2010 Blackwell Publishing Ltd.

  17. Effects of Varied Shear Correction on the Thermal Vibration of Functionally-Graded Material Shells in an Unsteady Supersonic Flow

    Directory of Open Access Journals (Sweden)

    Chih Chiang Hong

    2017-03-01

    Full Text Available A model is presented for functionally-graded material (FGM, thick, circular cylindrical shells under an unsteady supersonic flow, following first-order shear deformation theory (FSDT with varied shear correction coefficients. Some interesting vibration results of the dynamics are calculated by using the generalized differential quadrature (GDQ method. The varied shear correction coefficients are usually functions of FGM total thickness, power law index, and environment temperature. Two parametric effects of the environmental temperature and FGM power law index on the thermal stress and center deflection are also presented. The novelty of the paper is that the maximum flutter value of the center deflection amplitude can be predicted and occurs at a high frequency of applied heat flux for a supersonic air flow.

  18. Peripheral origins and functional characteristics of vibration-sensitive VIIIth nerve fibers in the frog Rana temporaria

    DEFF Research Database (Denmark)

    Jøgensen, Morten Buhl; Christensen-Dalsgaard, Jakob

    1991-01-01

    were studied. 2) Vibration-sensitive fibers were found in both the anterior and posterior branch of the VIIIth nerve. 3) No vibration-sensitive fibers were found in the lagenar nerve. 4) The vibration-sensitive fibers in the posterior branch probably innervated the amphibian papilla and many...

  19. Analyses of zonal atmospheric excitation functions and their correlation with polar motion excitation functions

    Directory of Open Access Journals (Sweden)

    J. Nastula

    Full Text Available The atmospheric influence on the Earth's, rotation can be described by the effective atmospheric angular momentum (EAAM functions. In this study we focus on the analysis of short period variations of the equatorial components of the zonal EAAM excitation functions χ1 and χ2 and their influence on similar variations of polar motion. The global objective analysis data of the Japanese Meteorological Agency for the period 1986–1992 were used to compute the EAAM excitation functions in different latitude belts. Time- and latitude-variable amplitude spectra of variations of these functions with periods shorter than 150 days, containing pressure, pressure with the inverted barometric correction, and wind terms were computed. The spectra show distinct latitude and time variations of the prograde and retrograde oscillations which reach their maxima mainly in mid-latitudes. Prograde and retrograde oscillations with periods of about 40–60 days and about 110–120 days are seen in the spectra of pressure terms of the equatorial components of the zonal EAAM excitation functions. Additionally, correlation coefficients and cross-spectra between variations of the geodetic polar motion and equatorial components of the zonal EAAM excitation functions were computed to identify the latitude belts of the globe over which atmospheric circulation changes are correlated mostly with short period variations of the polar motion excitation functions. The correlation coefficients vary in time and latitude and reach maximum values in the northern latitudes from 50°N to 60°N. In the cross-spectra between the polar motion excitation functions and pressure terms of the zonal EAAM excitation functions there are peaks of common prograde oscillations with the periods around 20, 30, 40–50, 60 and 80–150 days and of common retrograde oscillations around 20, 30, 40 and 50–70 days.

  20. Analyses of zonal atmospheric excitation functions and their correlation with polar motion excitation functions

    Directory of Open Access Journals (Sweden)

    J. Nastula

    1997-11-01

    Full Text Available The atmospheric influence on the Earth's, rotation can be described by the effective atmospheric angular momentum (EAAM functions. In this study we focus on the analysis of short period variations of the equatorial components of the zonal EAAM excitation functions χ1 and χ2 and their influence on similar variations of polar motion. The global objective analysis data of the Japanese Meteorological Agency for the period 1986–1992 were used to compute the EAAM excitation functions in different latitude belts. Time- and latitude-variable amplitude spectra of variations of these functions with periods shorter than 150 days, containing pressure, pressure with the inverted barometric correction, and wind terms were computed. The spectra show distinct latitude and time variations of the prograde and retrograde oscillations which reach their maxima mainly in mid-latitudes. Prograde and retrograde oscillations with periods of about 40–60 days and about 110–120 days are seen in the spectra of pressure terms of the equatorial components of the zonal EAAM excitation functions. Additionally, correlation coefficients and cross-spectra between variations of the geodetic polar motion and equatorial components of the zonal EAAM excitation functions were computed to identify the latitude belts of the globe over which atmospheric circulation changes are correlated mostly with short period variations of the polar motion excitation functions. The correlation coefficients vary in time and latitude and reach maximum values in the northern latitudes from 50°N to 60°N. In the cross-spectra between the polar motion excitation functions and pressure terms of the zonal EAAM excitation functions there are peaks of common prograde oscillations with the periods around 20, 30, 40–50, 60 and 80–150 days and of common retrograde oscillations around 20, 30, 40 and 50–70 days.

  1. The Galaxy Count Correlation Function in Redshift Space Revisited

    Science.gov (United States)

    Campagne, J.-E.; Plaszczynski, S.; Neveu, J.

    2017-08-01

    In the near future, cosmology will enter the wide and deep galaxy survey era, enabling high-precision studies of the large-scale structure of the universe in three dimensions. To test cosmological models and determine their parameters accurately, it is necessary to use data with exact theoretical expectations expressed in observational parameter space (angles and redshift). The data-driven, galaxy number count fluctuations on redshift shells can be used to build correlation functions ξ (θ ,{z}1,{z}2) on and between shells to probe the baryonic acoustic oscillations and distance-redshift distortions, as well as gravitational lensing and other relativistic effects. To obtain a numerical estimation of ξ (θ ,{z}1,{z}2) from a cosmological model, it is typical to use either a closed form derived from a tripolar spherical expansion or to compute the power spectrum {C}{\\ell }({z}1,{z}2) and perform a Legendre polynomial {P}{\\ell }(\\cos θ ) expansion. Here, we present a new derivation of a ξ (θ ,{z}1,{z}2) closed form using the spherical harmonic expansion and proceeding to an infinite sum over multipoles thanks to an addition theorem. We demonstrate that this new expression is perfectly compatible with the existing closed forms but is simpler to establish and manipulate. We provide formulas for the leading density and redshift-space contributions, but also show how Doppler-like and lensing terms can be easily included in this formalism. We have implemented and made publicly available software for computing those correlations efficiently, without any Limber approximation, and validated this software with the CLASSgal code. It is available at https://gitlab.in2p3.fr/campagne/AngPow.

  2. Transport through correlated systems with density functional theory

    Science.gov (United States)

    Kurth, S.; Stefanucci, G.

    2017-10-01

    We present recent advances in density functional theory (DFT) for applications in the field of quantum transport, with particular emphasis on transport through strongly correlated systems. We review the foundations of the popular Landauer-Büttiker(LB)  +  DFT approach. This formalism, when using approximations to the exchange-correlation (xc) potential with steps at integer occupation, correctly captures the Kondo plateau in the zero bias conductance at zero temperature but completely fails to capture the transition to the Coulomb blockade (CB) regime as the temperature increases. To overcome the limitations of LB  +  DFT, the quantum transport problem is treated from a time-dependent (TD) perspective using TDDFT, an exact framework to deal with nonequilibrium situations. The steady-state limit of TDDFT shows that in addition to an xc potential in the junction, there also exists an xc correction to the applied bias. Open shell molecules in the CB regime provide the most striking examples of the importance of the xc bias correction. Using the Anderson model as guidance we estimate these corrections in the limit of zero bias. For the general case we put forward a steady-state DFT which is based on one-to-one correspondence between the pair of basic variables, steady density on and steady current across the junction and the pair local potential on and bias across the junction. Like TDDFT, this framework also leads to both an xc potential in the junction and an xc correction to the bias. Unlike TDDFT, these potentials are independent of history. We highlight the universal features of both xc potential and xc bias corrections for junctions in the CB regime and provide an accurate parametrization for the Anderson model at arbitrary temperatures and interaction strengths, thus providing a unified DFT description for both Kondo and CB regimes and the transition between them.

  3. Transport through correlated systems with density functional theory.

    Science.gov (United States)

    Kurth, S; Stefanucci, G

    2017-10-18

    We present recent advances in density functional theory (DFT) for applications in the field of quantum transport, with particular emphasis on transport through strongly correlated systems. We review the foundations of the popular Landauer-Büttiker(LB)  +  DFT approach. This formalism, when using approximations to the exchange-correlation (xc) potential with steps at integer occupation, correctly captures the Kondo plateau in the zero bias conductance at zero temperature but completely fails to capture the transition to the Coulomb blockade (CB) regime as the temperature increases. To overcome the limitations of LB  +  DFT, the quantum transport problem is treated from a time-dependent (TD) perspective using TDDFT, an exact framework to deal with nonequilibrium situations. The steady-state limit of TDDFT shows that in addition to an xc potential in the junction, there also exists an xc correction to the applied bias. Open shell molecules in the CB regime provide the most striking examples of the importance of the xc bias correction. Using the Anderson model as guidance we estimate these corrections in the limit of zero bias. For the general case we put forward a steady-state DFT which is based on one-to-one correspondence between the pair of basic variables, steady density on and steady current across the junction and the pair local potential on and bias across the junction. Like TDDFT, this framework also leads to both an xc potential in the junction and an xc correction to the bias. Unlike TDDFT, these potentials are independent of history. We highlight the universal features of both xc potential and xc bias corrections for junctions in the CB regime and provide an accurate parametrization for the Anderson model at arbitrary temperatures and interaction strengths, thus providing a unified DFT description for both Kondo and CB regimes and the transition between them.

  4. Atmospheric stellar parameters from cross-correlation functions

    Science.gov (United States)

    Malavolta, L.; Lovis, C.; Pepe, F.; Sneden, C.; Udry, S.

    2017-08-01

    The increasing number of spectra gathered by spectroscopic sky surveys and transiting exoplanet follow-up has pushed the community to develop automated tools for atmospheric stellar parameters determination. Here we present a novel approach that allows the measurement of temperature (Teff), metallicity ([Fe/H]) and gravity (log g) within a few seconds and in a completely automated fashion. Rather than performing comparisons with spectral libraries, our technique is based on the determination of several cross-correlation functions (CCFs) obtained by including spectral features with different sensitivity to the photospheric parameters. We use literature stellar parameters of high signal-to-noise (SNR), high-resolution HARPS spectra of FGK main-sequence stars to calibrate Teff, [Fe/H] and log g as a function of CCF parameters. Our technique is validated using low-SNR spectra obtained with the same instrument. For FGK stars we achieve a precision of σ _{{T_eff}} = 50 K, σlog g = 0.09 dex and σ _{{{[Fe/H]}}} =0.035 dex at SNR = 50, while the precision for observation with SNR ≳ 100 and the overall accuracy are constrained by the literature values used to calibrate the CCFs. Our approach can easily be extended to other instruments with similar spectral range and resolution or to other spectral range and stars other than FGK dwarfs if a large sample of reference stars is available for the calibration. Additionally, we provide the mathematical formulation to convert synthetic equivalent widths to CCF parameters as an alternative to direct calibration. We have made our tool publicly available.

  5. Vibration and noise analysis of a gear transmission system

    Science.gov (United States)

    Choy, F. K.; Qian, W.; Zakrajsek, J. J.; Oswald, F. B.

    1993-01-01

    This paper presents a comprehensive procedure to predict both the vibration and noise generated by a gear transmission system under normal operating conditions. The gearbox vibrations were obtained from both numerical simulation and experimental studies using a gear noise test rig. In addition, the noise generated by the gearbox vibrations was recorded during the experimental testing. A numerical method was used to develop linear relationships between the gearbox vibration and the generated noise. The hypercoherence function is introduced to correlate the nonlinear relationship between the fundamental noise frequency and its harmonics. A numerical procedure was developed using both the linear and nonlinear relationships generated from the experimental data to predict noise resulting from the gearbox vibrations. The application of this methodology is demonstrated by comparing the numerical and experimental results from the gear noise test rig.

  6. Stochastic resonance energy harvesting for a rotating shaft subject to random and periodic vibrations: influence of potential function asymmetry and frequency sweep

    Science.gov (United States)

    Kim, Hongjip; Che Tai, Wei; Zhou, Shengxi; Zuo, Lei

    2017-11-01

    Stochastic resonance is referred to as a physical phenomenon that is manifest in nonlinear systems whereby a weak periodic signal can be significantly amplified with the aid of inherent noise or vice versa. In this paper, stochastic resonance is considered to harvest energy from two typical vibrations in rotating shafts: random whirl vibration and periodic stick-slip vibration. Stick-slip vibrations impose a constant offset in centrifugal force and distort the potential function of the harvester, leading to potential function asymmetry. A numerical analysis based on a finite element method was conducted to investigate stochastic resonance with potential function asymmetry. Simulation results revealed that a harvester with symmetric potential function generates seven times higher power than that with asymmetric potential function. Furthermore, a frequency-sweep analysis also showed that stochastic resonance has hysteretic behavior, resulting in frequency difference between up-sweep and down-sweep excitations. An electromagnetic energy harvesting system was constructed to experimentally verify the numerical analysis. In contrast to traditional stochastic resonance harvesters, the proposed harvester uses magnetic force to compensate the offset in the centrifugal force. System identification was performed to obtain the parameters needed in the numerical analysis. With the identified parameters, the numerical simulations showed good agreement with the experiment results with around 10% error, which verified the effect of potential function asymmetry and frequency sweep excitation condition on stochastic resonance. Finally, attributed to compensating the centrifugal force offset, the proposed harvester generated nearly three times more open-circuit output voltage than its traditional counterpart.

  7. Neural systemic impairment from whole-body vibration.

    Science.gov (United States)

    Yan, Ji-Geng; Zhang, Lin-ling; Agresti, Michael; LoGiudice, John; Sanger, James R; Matloub, Hani S; Havlik, Robert

    2015-05-01

    Insidious brain microinjury from motor vehicle-induced whole-body vibration (WBV) has not yet been investigated. For a long time we have believed that WBV would cause cumulative brain microinjury and impair cerebral function, which suggests an important risk factor for motor vehicle accidents and secondary cerebral vascular diseases. Fifty-six Sprague-Dawley rats were divided into seven groups (n = 8): 1) 2-week normal control group, 2) 2-week sham control group (restrained in the tube without vibration), 3) 2-week vibration group (exposed to whole-body vibration at 30 Hz and 0.5g acceleration for 4 hr/day, 5 days/week, for 2 weeks), 4) 4-week sham control group, 5) 4-week vibration group, 6) 8-week sham control group, and 7) 8-week vibration group. At the end point, all rats were evaluated in behavior, physiological, and brain histopathological studies. The cerebral injury from WBV is a cumulative process starting with vasospasm squeezing of the endothelial cells, followed by constriction of the cerebral arteries. After the 4-week vibration, brain neuron apoptosis started. After the 8-week vibration, vacuoles increased further in the brain arteries. Brain capillary walls thickened, mean neuron size was obviously reduced, neuron necrosis became prominent, and wide-ranging chronic cerebral edema was seen. These pathological findings are strongly correlated with neural functional impairments. © 2014 Wiley Periodicals, Inc.

  8. Vibrational Fingerprints of Low-Lying PtnP2n (n = 1–5) Cluster Structures from Global Optimization Based on Density Functional Theory Potential Energy Surfaces

    KAUST Repository

    Jedidi, Abdesslem

    2015-11-13

    Vibrational fingerprints of small PtnP2n (n = 1–5) clusters were computed from their low-lying structures located from a global exploration of their DFT potential energy surfaces with the GSAM code. Five DFT methods were assessed from the CCSD(T) wavenumbers of PtP2 species and CCSD relative energies of Pt2P4 structures. The eight first PtnP2n isomers found are reported. The vibrational computations reveal (i) the absence of clear signatures made by overtone or combination bands due to very weak mechanical and electrical anharmonicities and (ii) some significant and recurrent vibrational fingerprints in correlation with the different PP bonding situations in the PtnP2n structures.

  9. Hydrogen bonding in protic ionic liquids: structural correlations, vibrational spectroscopy, and rotational dynamics of liquid ethylammonium nitrate

    Science.gov (United States)

    Zentel, Tobias; Overbeck, Viviane; Michalik, Dirk; Kühn, Oliver; Ludwig, Ralf

    2018-02-01

    The properties of the hydrogen bonds in ethylammonium nitrate (EAN) are analyzed by using molecular dynamics simulations and infrared as well as nuclear magnetic resonance experiments. EAN features a flexible three-dimensional network of hydrogen bonds with moderate strengths, which makes it distinct from related triethylammonium-based ionic liquids. First, the network’s flexibility is manifested in a not very pronounced correlation of the hydrogen bond geometries, which is caused by rapid interchanges of bonding partners. The large flexibility of the network also leads to a substantial broadening of the mid-IR absorption band, with the contributions due to N–H stretching motions ranging from 2800 to 3250 cm‑1. Finally, the different dynamics are also seen in the rotational correlation of the N–H bond vector, where a correlation time as short as 16.1 ps is observed.

  10. Noise, vibration and harshness (NVH) criteria as functions of vehicle design and consumer expectations

    Science.gov (United States)

    Raichel, Daniel R.

    2005-09-01

    The criteria for NVH design are to a large degree determined by the types of vehicles and the perceived desires of the purchasers of vehicles, as well as the cost of incorporating NVH measures. Vehicles may be classified into specific types, e.g., economy car, midsize passenger, near-luxury and luxury passenger cars, sports cars, vans, minivans, and sports utility vehicles of varying sizes. The owner of a luxury sedan would expect a quiet ride with minimal vibration and harshness-however, if that sedan is to display sporting characteristics, some aspects of NVH may actually have to be increased in order to enhance a feeling of driver exhilaration. A discussion of the requirements for specific types of vehicles is provided, with due regard for effects on the usability of installed sound/video systems, driver and passenger fatigue, feel of steering mechanisms and other mechanical components, consumer market research, etc. A number of examples of vehicles on the market are cited.

  11. Charge separation in donor-C60 complexes with real-time Green's functions: The importance of nonlocal correlations.

    Science.gov (United States)

    Bostrom, Emil Vinas; Mikkelsen, Anders; Verdozzi, Claudio; Perfetto, Enrico; Stefanucci, Gianluca

    2017-12-21

    We use the Nonequilibrium Green's Function (NEGF) method to perform real-time simulations of the ultrafast electron dynamics of photoexcited donor-C60 complexes modeled by a Pariser-Parr-Pople Hamiltonian. The NEGF results are compared to mean-field Hartree-Fock (HF) calculations to disentangle the role of correlations. Initial benchmarking against numerically highly accurate time dependent Density Matrix Renormalization Group calculations verifies the accuracy of NEGF. We then find that charge-transfer (CT) excitons partially decay into charge separated (CS) states if dynamical non-local correlation corrections are included. This CS process occurs in ∼10 fs after photoexcitation. In contrast, the probability of exciton recombination is almost 100% in HF simulations. These results are largely unaffected by nuclear vibrations; the latter become however essential whenever level misalignment hinders the CT process. The robust nature of our findings indicate that ultrafast CS driven by correlation-induced decoherence may occur in many organic nanoscale systems, but it will only be correctly predicted by theoretical treatments that include time-nonlocal correlations.

  12. Freezing vibrational energy flow: a fitness function for interchangeable computational and experimental control.

    Science.gov (United States)

    Weidinger, D; Engel, M F; Gruebele, M

    2009-04-23

    We develop a fitness functional for freezing molecular energy flow that relies only on experimental observables. The functional allows us to implement a modular control algorithm where simulation data and experimental data can be used interchangeably. This interchangeability could be useful as a spectroscopic tool and for reactive control because the controllability of the experimental system and its model can be compared directly. The fitness functional performs as well as functionals based on complete knowledge of the wave function. We compare our simulation results with an analytical theory of control, and find good agreement between the simulated and predicted times over which the system can be controlled.

  13. Correlation of Thyroid Functions with Severity and Outcome of ...

    African Journals Online (AJOL)

    A positive correlation was observed between BW and TT3 levels. Conclusion: These findings indicate that there is a state of biochemical hypothyroidism that correlates with severity of preeclampsia and influences obstetric outcome in these women. Identification of thyroid hormone in pregnancy might be of help in predicting ...

  14. Time-domain seismic response function retrieval from ambient vibration of dams

    Science.gov (United States)

    Kuroda, S.

    2016-12-01

    The existing seismometers installed at the dams for irrigation have recorded many seismic records during huge earthquake events, especially in Japan. Those are useful for analysis to understand how dams behaved during earthquake. Those records are valuable as the evidence not only to show the behavior of dams caused by but also to retrieve the index to reflect the dynamic property of the dams. Considering this point, we have applied the concept of seismic interferometry and its method to seismic records of the dams to estimate their properties of seismic wave propagation and the dynamic properties of those structures. This shows the applicability of seismic interferometry for small vibration records of existing seismometer of dams, like small earthquake records, whose maximum acceleration are less than 1cm/s2, or ambient noise. Based on the analysis for the waveform of acceleration during more than 10hours, we can retrieve the waveforms of time domain response similar to the one extracted from the seismic record of earthquake events, whose maximum acceleration is more than 2cm/s2, from small earthquake records and even from ambient noise only. This fact shows the proposed method might be applicable more frequently, if we applied it not only earthquake records but also the small records which has been considered to be trivial ones. Though we must verify the applicability of this method to the other many dams, this method might be expected to be more useful in an area where the earthquake frequency is very small, or at a dam site where the seismometer has been installed recently and obtained little or not enough seismic records yet. We will also discuss on reliability of results comparing the response obtained from records of eathquake events and seismic sensors array observation.

  15. Monte Carlo variational study of Be: A survey of correlated wave functions

    Science.gov (United States)

    Moskowitz, Jules W.; Schmidt, K. E.; Lee, M. A.; Kalos, M. H.

    1982-01-01

    Using the Metropolis Monte Carlo integration technique, we calculate upper bounds to the correlation energy of a Be atom for a variety of wave functions. With this method, it is simple to treat unconventional wave functions, including those which depend on the interelectronic distance rij. We obtain about 40% of the correlation energy by using only a simple two-parameter Jastrow function of rij with a single Slater determinant of Hartree-Fock orbitals. A four configuration wave function with this Jastrow function yields 87% of the correlation energy. Several wave functions derived from nonvariational methods are shown to give no correlation energy when used in a strictly variational computation.

  16. Pair-correlation function in disordered β-brass as studied by neutron diffraction

    DEFF Research Database (Denmark)

    Als-Nielsen, Jens Aage; Dietrich, O.W.

    1967-01-01

    Critical neutron scattering around a superlattice reflection above Tc yields information on the pair correlation function for occupation of lattice sites. The Ornstein-Zernike correlation function e-k 1 r/r is proved to fit the data excellently, and at 8.9deg K above Tc the inverse correlation...

  17. The asymptotic behaviour of the maximum likelihood function of Kriging approximations using the Gaussian correlation function

    CSIR Research Space (South Africa)

    Kok, S

    2012-07-01

    Full Text Available is considered in this paper, but the main result of Zimmermann [2] is disproved. 2 Kriging fundamentals A response y(x) is considered to consist of a deterministic contribution f(x) and a stochastic component Z(x), i.e. y(x) = f(x) + Z(x). (1...) and is symmetric by definition. In computer experiment applications, the Gaussian correlation function is particularly popular. In this case, R is given by R(xi, xj) = m? k=1 e??k|x i k?x j k|2 , (4) where m is the number of design variables (i.e...

  18. Effect of stochastic resonance whole body vibration on functional performance in the frail elderly: A pilot study.

    Science.gov (United States)

    Kessler, Jessica; Radlinger, Lorenz; Baur, Heiner; Rogan, Slavko

    2014-01-01

    The aim of this pilot study was to evaluate the feasibility and the effect size of a four-week stochastic resonance whole body vibration (SR-WBV) intervention on functional performance and strength in frail elderly individuals. Twenty-seven participants have been recruited and randomly distributed in an intervention group (IG) and a sham group (SG). Primary outcomes were feasibility objectives like recruitment, compliance and safety. Secondary outcomes were short physical performance battery (SPPB), isometric maximum voluntary contraction (IMVC) and isometric rate of force development (IRFD). The intervention was feasible and safe. Furthermore it showed significant effects (p=0.035) and medium effect size (0.43) within the IG in SPPB. SR-WBV training over four weeks with frail elderly individuals is a safe intervention method. The compliance was good and SR-WBV intervention seems to improve functional performance. Further research over a longer time frame for the strength measurements (IMVC and IRFD) is needed to detect potential intervention effects in the force measurements as well. Clinical Trial register: NTC01704976. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

  19. Correlation between visual field index and other functional and structural measures in glaucoma patients and suspects

    Directory of Open Access Journals (Sweden)

    Natalia A Iutaka

    2017-01-01

    Conclusion: VFI showed a strong correlation with MD and PSD but demonstrated a weak correlation with structural measures. It can possibly be used as a marker for functional impairment severity in patients with glaucoma.

  20. Structurofunctional resting-state networks correlate with motor function in chronic stroke

    Directory of Open Access Journals (Sweden)

    Benjamin T. Kalinosky

    2017-01-01

    Conclusion: The results demonstrate that changes after a stroke in both intrinsic and network-based structurofunctional correlations at rest are correlated with motor function, underscoring the importance of residual structural connectivity in cortical networks.

  1. Whole-body vibration improves functional capacity and quality of life in patients with severe chronic obstructive pulmonary disease (COPD): a pilot study.

    Science.gov (United States)

    Braz Júnior, Donato S; Dornelas de Andrade, Arméle; Teixeira, Andrei S; Cavalcanti, Cléssyo A; Morais, André B; Marinho, Patrícia Em

    2015-01-01

    Exercise intolerance is a common development in patients with chronic obstructive pulmonary disease (COPD). There is little data on the use of an isolated program using vibration platform training on functional capacity in these patients, which is an area that deserves investigation. To investigate the effect of training on a vibrating platform (whole-body vibration [WBV]) on functional performance and quality of life of subjects with COPD. A randomized controlled crossover pilot study with eleven subjects with COPD (forced expiratory volume in 1 second [FEV1]% predicted =14.63±11.14; forced vital capacity [FVC]% predicted =48.84±15.21; FEV1/FVC =47.39±11.63) underwent a 12-week WBV training program. Participants were randomized into the intervention group (IG) undergoing three sessions per week for a total of 12 weeks and control group (CG) without intervention. We evaluated the 6-minute walk test (6MWT), distance walked (DW), duration of the walk (TW), and index of perceived exertion (IPE), quality of life using St George's Respiratory Questionnaire (SGRQ) and developed a 12-week program of training on a vibrating platform. The mean age was 62.91±8.82 years old (72.7% male). The DW increased at the end of training with a difference between groups of 75 m; all domains of the SGRQ improved at the end of training. The effect size Cohen's d ranged from small to large for all the measured results. These preliminary results suggest that WBV may potentially be a safe and feasible way to improve functional capacity in the 6MWT of patients with COPD undergoing a training program on the vibrating platform as well as in all domains of the SGRQ quality of life. However, further studies with a larger number of patients are needed to establish the long-term effect on functional capacity and quality of life in these patients.

  2. Effects of whole body vibration on pain, stiffness and physical functions in patients with knee osteoarthritis: a systematic review and meta-analysis.

    Science.gov (United States)

    Wang, Pu; Yang, Xiaotian; Yang, Yonghong; Yang, Lin; Zhou, Yujing; Liu, Chuan; Reinhardt, Jan D; He, Chengqi

    2015-10-01

    To assess the effects of whole body vibration for pain, stiffness and physical functions in patients with knee osteoarthritis. We searched the Cochrane Central Register of Controlled Trials, MEDLINE, Physiotherapy Evidence Database (PEDro) and EMBASE (up to October 2014) to identify relevant randomized controlled trials. The outcome measures were pain, stiffness and physical functions. Two investigators identified eligible studies and extracted data independently. The PEDro score was used to evaluate the methodological quality of the selected studies. Standard mean differences (SMDs) and 95% confidence intervals (CIs) were calculated, and heterogeneity was assessed using the I(2) test. A total of five randomized controlled trials involving 170 patients with knee osteoarthritis met the inclusion criteria. Only four studies involving 144 patients were deemed to be good quality trials (PEDro score = 6-7). Meta-analysis revealed that whole body vibration has a significant treatment effect in Western Ontario and McMaster Universities index physical function score (SMD = -0.72 points, 95% CI = -1.14 to -0.30, P = 0.0008), 12 weeks whole body vibration improved the 6-minute walk test (SMD 1.15 m, 95% CI 0.50 to 1.80, P = 0.0006) and balance (SMD = -0.78 points, 95% CI -1.40 to -0.16, P = 0.01). Whole body vibration was not associated with a significant reduction in Western Ontario and McMaster Universities index pain and stiffness score. Eight-week and 12-week whole body vibration is beneficial for improving physical functions in patients with knee osteoarthritis and could be included in rehabilitation programs. © The Author(s) 2014.

  3. Volume Functions of Historical Texts and the Amplitude Correlation Principle.

    Science.gov (United States)

    Fomenko, Anatoliy T.; Rachev, Svetlozar T.

    1990-01-01

    Proposes an empirico-statistical model to differentiate dependent and independent historical texts. Formulates a regard for information principle and an amplitude correlation principle. Experimentally examines and validates the model and both principles using specific historical texts. Includes tables and graphs. Appends further discussion of the…

  4. Two Point Correlation Functions for a Periodic Box-Ball System

    Directory of Open Access Journals (Sweden)

    Jun Mada

    2011-03-01

    Full Text Available We investigate correlation functions in a periodic box-ball system. For the second and the third nearest neighbor correlation functions, we give explicit formulae obtained by combinatorial methods. A recursion formula for a specific N-point functions is also presented.

  5. Correlation Immunity, Avalanche Features, and Other Cryptographic Properties of Generalized Boolean Functions

    Science.gov (United States)

    2017-09-01

    Communication theory of secrecy systems,” Bell Systems Technical Journal, vol. 28, pp. 656–715, 1949. [40] T. Siegenthaler, “Correlation immunity of nonlinear...Cryptography, coding theory , Boolean functions, generalized Boolean functions, correlation immunity, strict avalanche criterion, bent functions, cyber...information warfare, information security, communications security. 15. NUMBER OF PAGES 161 16. PRICE CODE 17. SECURITY CLASSIFICATION OF REPORT

  6. Vibrational frequency fluctuations of ionic vibrational probe in water: Theoretical study with molecular dynamics simulation

    Science.gov (United States)

    Okuda, Masaki; Higashi, Masahiro; Ohta, Kaoru; Saito, Shinji; Tominaga, Keisuke

    2017-09-01

    The vibrational dynamics of SCN- in H2O are theoretically investigated by molecular dynamics simulations. Based on the vibrational solvatochromism theory, we calculate the frequency-frequency time correlation function of the SCN anti-symmetric stretching mode, which is characterized by time constants of 0.13 and 1.41 ps. We find that the frequency fluctuation is almost determined by the electrostatic interaction from the water molecules in the first-hydration shell. The collective dynamics of the water molecules in the first-hydration shell is found to be similar to that of bulk water, though the hydrogen bond between the ion and water molecule is very strong.

  7. The course and correlates of everyday functioning in schizophrenia

    Directory of Open Access Journals (Sweden)

    Abraham Reichenberg

    2014-03-01

    Worsening in everyday functioning is found in people with schizophrenia and those with a history of greater chronicity and severity of illness seem more affected. These influences seem to be expressed through worsening in the ability to perform everyday functional skills. Potential causes of these changes and implications for reducing these impairments are discussed.

  8. Correlation function of four spins in the percolation model

    Directory of Open Access Journals (Sweden)

    Vladimir S. Dotsenko

    2016-10-01

    It is known that the four-point functions define the actual fusion rules of a particular model. In this respect, we find that fusion of two spins, of dimension Δσ=596, produce a new channel, in the 4-point function, which is due to the operator with dimension Δ=5/8.

  9. Correlation between demographic characteristics, cognitive functioning and functional independence in stroke patients

    Directory of Open Access Journals (Sweden)

    Arsić Slađana

    2016-01-01

    Full Text Available Introduction. It has been assumed that there is causality of the achieved level of functional independence with the degree of preservation of cognitive function in stroke patients. Demographic characteristics may be important for monitoring the achieved level of functional independence. Objective. The aim of this study was to examine the relationship of demographic characteristics and functional independence in regard to the level of cognitive impairment in stroke patients. Methods. The study included 50 stroke patients after rehabilitation, as well as age- and gender-matched 50 subjects selected randomly, according to the demographic characteristics of the studied sample, who in their medical history had no neurological disorders. For the assessment of functional independence, the Functional Independence Measure (FIM test was used. The general cognition was estimated by the Mini-Mental State Examination (MMSE test. The statistical analyses included the Mann-Whitney test, for two independent samples, measures of canonical correlation, and χ2 test. Results. There was a statistically significant difference between the groups in relation to risk factors, hypertension and diabetes mellitus type II (p<0.001; There was a statistically significant difference within the groups in relation to the cognitive impairment in all the examined demographic characteristics (p<0.001; the differences within the groups in relation to the cognitive impairment are present on all subscales of the FIM test (p<0.05; the differences within the groups in relation to handedness, hemiparesis, show that mild cognitive impairment is more common among left hemiparesis, while a more severe one is more common among right-sided hemiparesis (p<0.05; More severe cognitive impairment is common among women, the elderly and in persons with lower education (p<0.05. Conclusion. By prevention of risk factors, and prevention of possible cognitive impairment, consequences of stroke can be

  10. Electron correlations observed through intensity interferometry: study of model initial state wave functions

    Energy Technology Data Exchange (ETDEWEB)

    Feuerstein, B.; Moshammer, R.; Ullrich, J. [Freiburg Univ. (Germany); Schulz, M

    2001-07-01

    Recently, a new method of analysing electron correlations based on intensity interferometry has been applied to double ionization of He and Ne by fast ion impact [1]. The data reveal sensitively correlation effects while they appear to be very insensitive to the collision dynamics. In order to analyse the role of the initial state electron correlation a statistically defined correlation function based on intensity interferometry was calculated for the ground state of He. In a comparative study of model wave functions we demonstrate that correlation can be considered from a statistical point of view which offers a new tool to study correlation effects in many-particle systems. (orig.)

  11. Electron Correlations Observed Through Intensity Interferometry: Study of Model Initial State Wave Functions

    Science.gov (United States)

    Feuerstein, B.; Schulz, M.; Moshammer, R.; Ullrich, J.

    Recently, a new method of analysing electron correlations based on intensity interferometry has been applied to double ionization of He and Ne by fast ion impact [1]. The data reveal sensitively correlation effects while they appear to be very insensitive to the collision dynamics. In order to analyse the role of the initial state electron correlation a statistically defined correlation function based on intensity interferometry was calculated for the ground state of He. In a comparative study of model wave functions we demonstrate that correlation can be considered from a statistical point of view which offers a new tool to study correlation effects in many-particle systems.

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

    Science.gov (United States)

    Gou, Zhenkun; Fyfe, Colin

    2004-03-01

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

  13. Cluster expansions for the correlated basis functions theory

    Energy Technology Data Exchange (ETDEWEB)

    Guardiola, R. (Granada Univ. (Spain). Dept. de Fisica Nuclear)

    1982-08-16

    Four kinds of cluster expansions for the calculation of non-diagonal matrix elements of the hamiltonian between correlated states have been derived. The derivation is based on a linearization mechanism for the standard cluster expansions in a configuration mixed state. Particulary simple formulae result for the multiplicative Factor-Aviles-Hartog-Tolhoek expansion and for the exponential form of the Gaudin-Gillespie-Ripka cluster expansion. The resulting expansions are directly usable in finite nuclei.

  14. Free Vibration and Dynamic Stability of Functionally Graded Material Plates on Elastic Foundation

    OpenAIRE

    I. Ramu; S.C. Mohanty

    2015-01-01

    The study of parametric resonance characteristics of functionally-graded material (FGM) plates on elastic foundation is proposed under biaxial in plane periodic load. Finite element method in conjunction with Hamilton’s principle is utilised to establish the governing equations in a discrete form, Floquet’s theory was applied to determine the instability regions of FGM plate resting on elastic foundation. The effects of power law index, temperature rise, and foundation coefficients on the nat...

  15. Self-reported sleep correlates with prefrontal-amygdala functional connectivity and emotional functioning.

    Science.gov (United States)

    Killgore, William D S

    2013-11-01

    Prior research suggests that sleep deprivation is associated with declines in some aspects of emotional intelligence and increased severity on indices of psychological disturbance. Sleep deprivation is also associated with reduced prefrontal-amygdala functional connectivity, potentially reflecting impaired top-down modulation of emotion. It remains unknown whether this modified connectivity may be observed in relation to more typical levels of sleep curtailment. We examined whether self-reported sleep duration the night before an assessment would be associated with these effects. Participants documented their hours of sleep from the previous night, completed the Bar-On Emotional Quotient Inventory (EQ-i), Mayer-Salovey-Caruso Emotional Intelligence Test (MSCEIT), and Personality Assessment Inventory (PAI), and underwent resting-state functional magnetic resonance imaging (fMRI). Outpatient neuroimaging center at a private psychiatric hospital. Sixty-five healthy adults (33 men, 32 women), ranging in age from 18-45 y. N/A. Greater self-reported sleep the preceding night was associated with higher scores on all scales of the EQ-i but not the MSCEIT, and with lower symptom severity scores on half of the psychopathology scales of the PAI. Longer sleep was also associated with stronger negative functional connectivity between the right ventromedial prefrontal cortex and amygdala. Moreover, greater negative connectivity between these regions was associated with higher EQ-i and lower symptom severity on the PAI. Self-reported sleep duration from the preceding night was negatively correlated with prefrontal-amygdala connectivity and the severity of subjective psychological distress, while positively correlated with higher perceived emotional intelligence. More sleep was associated with higher emotional and psychological strength.

  16. Prevalence and Correlates of Lung Function Impairment Among ...

    African Journals Online (AJOL)

    Participants who had morning cough were 3.44 (95% CI 1.10, 10.70) times more likely to have had lung function impairment compared to those who did not have morning cough. Also, participants who had chest tightness in the past year were 2.37 (95% CI 1.22, 4.62) times more likely to have had lung function impairment ...

  17. Study of the vibrational characteristics of the homonuclear diatomic nuclear schrödinger equation with a numerov method using a number of empirical potential functions

    Science.gov (United States)

    Heidari, Alireza; Anwar Bég, O.; Ghorbani, Mohammadali

    2013-02-01

    Many empirical potential energy functions have been modeled to represent the potential energy function of a diatomic molecule along whole range of internuclear distance coordinate, whereby one can determine certain molecular constants. Here we employ various potential functions such as Morse, Rydberg, Varshni(II), Varshni(III), Varshni(VI), Pöschl-Teller, Hulburt-Hirschfelder, Lippincott, Frost-Musulin, Linnet, and Rosen-Morse, and the Numerov method to solve the nuclear Schrödinger equation for F2, as an example of a homonuclear diatomic molecule. Herewith, the vibrational and vibration-rotation energy levels are obtained and excellent accuracy is achieved. The potential of employing the Numerov method in engineering physics computations is emphasized.

  18. Quantum chemical density functional theory studies on the molecular structure and vibrational spectra of Gallic acid imprinted polymers

    Science.gov (United States)

    Pardeshi, Sushma; Dhodapkar, Rita; Kumar, Anupama

    2013-12-01

    Gallic acid (GA) is known by its antioxidant, anticarcinogenic properties and scavenger activity against several types of harmful free radicals. Molecularly imprinted polymers (MIPs) are used in separation of a pure compound from complex matrices. A stable template-monomer complex generates the MIPs with the highest affinity and selectivity for the template. The quantum chemical computations based on density functional theory (DFT) was used on the template Gallic acid (GA), monomer acrylic acid (AA) and GA-AA complex to study the nature of interactions involved in the GA-AA complex. B3LYP/6-31+G(2d,2p) model chemistry was used to optimize their structures and frequency calculations. The effect of porogen acetonitrile (ACN) on complex formation was included by using polarizable continuum model (PCM). The results demonstrated the formation of a stable GA-AA complex through the intermolecular hydrogen bonding between carboxylic acid groups of GA and AA. The Mulliken atomic charge analysis and simulated vibrational spectra also supported the stable hydrogen bonding interaction between the carboxylic acid groups of GA and AA with minimal interference of porogen ACN. Further, simulations on GA-AA mole ratio revealed that 1:4 GA-AA was optimum for synthesis of MIP for GA.

  19. Free vibration analysis of a rotating hub-functionally graded material beam system with the dynamic stiffening effect

    Science.gov (United States)

    Li, L.; Zhang, D. G.; Zhu, W. D.

    2014-02-01

    A comprehensive dynamic model of a rotating hub-functionally graded material (FGM) beam system is developed based on a rigid-flexible coupled dynamics theory to study its free vibration characteristics. The rigid-flexible coupled dynamic equations of the system are derived using the method of assumed modes and Lagrange's equations of the second kind. The dynamic stiffening effect of the rotating hub-FGM beam system is captured by a second-order coupling term that represents longitudinal shrinking of the beam caused by the transverse displacement. The natural frequencies and mode shapes of the system with the chordwise bending and stretching (B-S) coupling effect are calculated and compared with those with the coupling effect neglected. When the B-S coupling effect is included, interesting frequency veering and mode shift phenomena are observed. A two-mode model is introduced to accurately predict the most obvious frequency veering behavior between two adjacent modes associated with a chordwise bending and a stretching mode. The critical veering angular velocities of the FGM beam that are analytically determined from the two-mode model are in excellent agreement with those from the comprehensive dynamic model. The effects of material inhomogeneity and graded properties of FGM beams on their dynamic characteristics are investigated. The comprehensive dynamic model developed here can be used in graded material design of FGM beams for achieving specified dynamic characteristics.

  20. Free vibration analysis of functionally graded CNT-reinforced nanocomposite beam using Eshelby-Mori-Tanaka approach

    Energy Technology Data Exchange (ETDEWEB)

    Heshmati, M.; Yas, M. H. [Razi University, Kermanshah (Iran, Islamic Republic of)

    2013-11-15

    This work deals with the effect of agglomeration and distribution of carbon nanotube on the free vibration characteristics of a functionally graded nanocomposite beams reinforced by single-walled carbon nanotubes (SWCNTs) by employing an equivalent fiber based on the Eshelby-Mori-Tanaka approach. Different SWCNTs distributions in the thickness directions are introduced to improve fundamental natural frequency of polymer composite beam. The micromechanics models used in the study include a two parameter model of agglomeration. An embedded carbon nanotube in a polymer matrix and its surrounding inter-phase is replaced with an equivalent fiber for predicting the mechanical properties of the carbon nanotube/polymer composite. The system of equations of motion is derived by using the principle of virtual work under the assumptions of the Euler-Bernoulli beam theory. The finite element method is employed to obtain a numerical approximation of the motion equation. Numerical results are presented in both tabular and graphical forms to figure out the effects of nanotube agglomeration, CNTs distribution and boundary conditions on the dynamic characteristics of the beam. The above mentioned effects play very important role on the dynamic behavior of the beam.

  1. Vibration analysis of a rotating functionally graded tapered microbeam based on the modified couple stress theory by DQEM

    Science.gov (United States)

    Ghadiri, Majid; Shafiei, Navvab; Alireza Mousavi, S.

    2016-09-01

    Due to having difficulty in solving governing nonlinear differential equations of a non-uniform microbeam, a few numbers of authors have studied such fields. In the present study, for the first time, the size-dependent vibration behavior of a rotating functionally graded (FG) tapered microbeam based on the modified couple stress theory is investigated using differential quadrature element method (DQEM). It is assumed that physical and mechanical properties of the FG microbeam are varying along the thickness that will be defined as a power law equation. The governing equations are determined using Hamilton's principle, and DQEM is presented to obtain the results for cantilever and propped cantilever boundary conditions. The accuracy and validity of the results are shown in several numerical examples. In order to display the influence of size on the first two natural frequencies and consequently changing of some important microbeam parameters such as material length scale, rate of cross section, angular velocity and gradient index of the FG material, several diagrams and tables are represented. The results of this article can be used in designing and optimizing elastic and rotary-type micro-electro-mechanical systems like micro-motors and micro-robots including rotating parts.

  2. Immediate Effects of External Vibration vs Placebo on Vocal Function Therapy in Singers: A Randomized Clinical Trial.

    Science.gov (United States)

    Anderson, Jennifer; DeLuca, Marta; Haines, Mary-Enid; Merrick, Gwen

    2018-01-04

    External vibration therapy (EVT) has been widely used in chronic pain conditions, musculoskeletal rehabilitation, and athletic training. Vibration therapy has been suggested to enhance vocal performance and has been popularized in social media. However, there is no evidence to support its effect on vocal function. To evaluate the immediate effects of EVT in trained singers using acoustic and self-assessment parameters. Prospective, randomized, placebo-controlled interventional study at St Michael's Hospital Voice Clinic, affiliated with the University of Toronto. Data collection and analysis were performed by investigators who were blinded to the group assignment of the participants. Study participants were randomized to EVT or a placebo (control) group. The study dates were September 2015 to December 2016. Participants attended the voice laboratory at St Michael's Hospital, where a standardized data collection protocol was performed, including acoustic parameters, voice range profile, and soft voice tasks, followed by subjective rating of vocal effort or discomfort. The EVT group underwent EVT to 5 neck sites bilaterally. The placebo group underwent the same protocol with a modified device. After the intervention, the participants repeated the standardized data collection. The primary outcome in this study was acoustic analysis (jitter, shimmer, and pitch range) compared before and after treatment. In addition, secondary outcomes included perceived effort or discomfort evaluated by participants after 4 voice tasks proposed to investigate more subtle voice properties. Within and between groups, data sets were statistically analyzed for potential treatment effect. Among 27 participants (age range, 18-50 years; all female), 14 were randomized to the intervention group and 13 to the placebo group. Comparison of the treatment effect on the vowel token acoustic parameters evaluated showed that, after EVT, participants had a more cohesive change with a restricted 95% CI

  3. Statistical functions and relevant correlation coefficients of clearness index

    Science.gov (United States)

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

    2015-08-01

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

  4. Clinical color vision testing and correlation with visual function.

    Science.gov (United States)

    Zhao, Jiawei; Davé, Sarita B; Wang, Jiangxia; Subramanian, Prem S

    2015-09-01

    To determine if Hardy-Rand-Rittler (H-R-R) and Ishihara testing are accurate estimates of color vision in subjects with acquired visual dysfunction. Assessment of diagnostic tools. Twenty-two subjects with optic neuropathy (aged 18-65) and 18 control subjects were recruited prospectively from an outpatient clinic. Individuals with visual acuity (VA) color blindness were excluded. All subjects underwent a comprehensive eye examination including VA, color vision, and contrast sensitivity testing. Color vision was assessed using H-R-R and Ishihara plates and Farnsworth D-15 (D-15) discs. D-15 is the accepted standard for detecting and classifying color vision deficits. Contrast sensitivity was measured using Pelli-Robson contrast sensitivity charts. No relationship was found between H-R-R and D-15 scores (P = .477). H-R-R score and contrast sensitivity were positively correlated (P = .003). On multivariate analysis, contrast sensitivity (β = 8.61, P color identification in patients with optic neuropathy. Both H-R-R and Ishihara testing are correlated with contrast sensitivity, and these tests may be useful clinical surrogates for contrast sensitivity testing. Copyright © 2015 Elsevier Inc. All rights reserved.

  5. Probing quantum correlation functions through energy-absorption interferometry

    Science.gov (United States)

    Withington, S.; Thomas, C. N.; Goldie, D. J.

    2017-08-01

    An interferometric technique is described for determining the spatial forms of the individual degrees of freedom through which a many-body system can absorb energy from its environment. The method separates out the spatial forms of the coherent excitations present at any single frequency; it is not necessary to sweep the frequency and then infer the spatial forms of possible excitations from resonant absorption features. The system under test is excited with two external sources, which create generalized forces, and the fringe in the total power dissipated is measured as the relative phase between the sources is varied. If the complex fringe visibility is measured for different pairs of source locations, the anti-Hermitian part of the complex-valued nonlocal correlation tensor can be determined, which can then be decomposed to give the natural dynamical modes of the system and their relative responsivities. If each source in the interferometer creates a different kind of force, the spatial forms of the individual excitations that are responsible for cross-correlated response can be found. The technique is related to holography, but measures the state of coherence to which the system is maximally sensitive. It can be applied across a wide range of wavelengths, in a variety of ways, to homogeneous media, thin films, patterned structures, and components such as sensors, detectors, and energy-harvesting absorbers.

  6. Modeling of structures and calculation of IR vibrational spectra of N,N-dimethylformamide dimers by density functional theory

    Science.gov (United States)

    Shundalau, M. B.; Chybirai, P. S.; Komyak, A. I.; Zazhogin, A. P.; Ksenofontov, M. A.; Umreiko, D. S.

    2011-07-01

    We present results of ab initio and DFT calculations of the structure and IR vibrational spectra of the monomer and dimers of N,N-dimethylformamide (DMF). The calculations were carried out in the B3LYP/cc-pVDZ approximation with subsequent force-field scaling. The calculated characteristics of the vibrational spectra of DMF show satisfactory agreement with experimental values, allowing them to be used in spectral and structural analysis.

  7. Using fundamental measure theory to treat the correlation function of the inhomogeneous hard-sphere fluid.

    Science.gov (United States)

    Schulte, Jeff B; Kreitzberg, Patrick A; Haglund, Chris V; Roundy, David

    2012-12-01

    We investigate the value of the correlation function of an inhomogeneous hard-sphere fluid at contact. This quantity plays a critical role in statistical associating fluid theory, which is the basis of a number of recently developed classical density functionals. We define two averaged values for the correlation function at contact and derive formulas for each of them from the White Bear version of the fundamental measure theory functional, using an assumption of thermodynamic consistency. We test these formulas, as well as two existing formulas, against Monte Carlo simulations and find excellent agreement between the Monte Carlo data and one of our averaged correlation functions.

  8. Prevalence and correlates of lung function impairment among ...

    African Journals Online (AJOL)

    Esem

    Mining operations contaminate air with dust particles. These can singly or in combination cause lung function. 1, 2. ... smoking, asthma, and also personal protective equipment was obtained. The participants also had their lung ..... Tompkins, K. Air pollution caused by Open Pit mining, could be avoided If appropriate dust.

  9. Social cognition in schizophrenia: factor structure, clinical and functional correlates.

    Science.gov (United States)

    Buck, Benjamin E; Healey, Kristin M; Gagen, Emily C; Roberts, David L; Penn, David L

    2016-08-01

    Social cognition is consistently impaired in people with schizophrenia, separable from general neurocognition, predictive of real-world functioning and amenable to psychosocial treatment. Few studies have empirically examined its underlying factor structure. This study (1) examines the factor structure of social cognition in both a sample of individuals with schizophrenia-spectrum disorders and non-clinical controls and (2) explores relationships of factors to neurocognition, symptoms and functioning. A factor analysis was conducted on social cognition measures in a sample of 65 individuals with schizophrenia or schizoaffective disorder, and 50 control participants. The resulting factors were examined for their relationships to symptoms and functioning. Results suggested a two-factor structure in the schizophrenia sample (social cognition skill and hostile attributional style) and a three-factor structure in the non-clinical sample (hostile attributional style, higher-level inferential processing and lower-level cue detection). In the schizophrenia sample, the social cognition skill factor was significantly related to negative symptoms and social functioning, whereas hostile attributional style predicted positive and general psychopathology symptoms. The factor structure of social cognition in schizophrenia separates hostile attributional style and social cognition skill, and each show differential relationships to relevant clinical variables in schizophrenia.

  10. Correlation between Cardiorespiratory Fitness and Platelet Function in Healthy Women.

    Science.gov (United States)

    Heber, Stefan; Assinger, Alice; Pokan, Rochus; Volf, Ivo

    2016-06-01

    Low cardiorespiratory fitness (CRF) represents a major risk factor for atherosclerosis, and platelets play a key role in the development of this chronic inflammatory disease. Therefore, the purpose of this study was to assess the relationship between CRF and platelet function. CRF and different aspects of platelet function were assessed in healthy, young, nonsmoking women. Results were compared between groups of low (LF), medium (MF) and high CRF (HF). Measurements were repeated in group LF after a supervised endurance training program lasting two menstrual cycles and obtained results were compared with groups MF and HF. CRF was quantified by maximal oxygen consumption (V˙O2max) determined by an incremental treadmill exercise test. V˙O2max criteria for groups were (mL·min·kg bodyweight): LF 55. Platelet activation state and platelet reactivity were assessed by basal and agonist-induced surface expression of CD62P and CD40L as well as the intraplatelet amount of reactive oxygen species. In group LF, basal platelet activation as well as agonist-induced platelet reactivity were increased compared with groups MF and HF. Between groups MF and HF parameters of platelet function were roughly equal despite a pronounced difference regarding CRF. Exercise training improved CRF in group LF and aligned platelet function to levels observed in groups MF and HF, although CRF still markedly differed. Low levels of CRF favor a proinflammatory platelet phenotype. A relatively low dose of exercise is sufficient to normalize platelet function, whereas superior levels of physical activity and CRF do not provide any further substantial benefit, but also no appreciable adverse effects.

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

    Science.gov (United States)

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

    2017-03-14

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

  12. Analysis of functional organic molecules at noble metal surfaces by means of vibrational spectroscopies

    Energy Technology Data Exchange (ETDEWEB)

    Leyssner, Felix

    2011-10-24

    The goal of this work is to optimize the efficiency of photoinduced molecular switching processes on surfaces via controlled variations of the adsorption and electronic properties of the switch. We investigated the influence of external stimuli, i.e. photons and thermal activation, on surface bound molecular switches undergoing trans/cis-isomerizations and ring-opening/closing-reactions, respectively. High resolution electron energy loss spectroscopy (HREELS) and sum-frequency generation (SFG) spectroscopy have been used as the main tools to investigate the adsorption behavior and the molecular switching properties. Two basic concepts of coupling the molecular switch to the surface have been studied: (i) physisorbed or weakly chemisorbed systems deposited on noble metal surfaces under UHV conditions and (ii) molecular switches bound covalently via anchor groups. In the HREELS study following concept (i), we investigated the adsorption geometry and isomerization behavior of various molecular switches on metal substrates which are able to undergo a photoinduced trans/cis-isomerization in solution. We investigated three isoelectronic molecules on Au where we systematically changed the photochemically active group from the diazo-group in an azobenzene-derivative (on Cu(111)) to the imine-group, and the vinylene-group, respectively. Finding the photoisomerization quenched for all systems we observed considerable differences in their thermal isomerization behavior. Comparable we find the photoinduced ring-opening/closing-reaction of spiropyran quenched on Au(111) but a thermally induced ring-opening reaction resulting in the open form being strongly stabilized by the metal. SFG spectroscopy is employed to investigate the reversible, photoinduced trans/cis-isomerization of an azobenzene-functionalized self-assembled monolayer (SAM) on gold using a tripodal linker system. In consequence of the decoupling provided by the tripodal linker, the switching behavior of the

  13. Benchmark Solution for Free Vibration of Moderately Thick Functionally Graded Sandwich Sector Plates on Two-Parameter Elastic Foundation with General Boundary Conditions

    Directory of Open Access Journals (Sweden)

    Haichao Li

    2017-01-01

    Full Text Available The free vibration analysis of moderately thick functionally graded (FG sector plates resting on two-parameter elastic foundation with general boundary conditions is presented via Fourier-Ritz method, which is composed of the modified Fourier series approach and the Ritz procedure. The material properties are assumed to vary continuously along the thickness according to the power-law distribution. The bilayered and single-layered functionally graded sector plates are obtained as the special cases of sandwich plates. The first-order shear deformation theory (FSDT is adopted to construct the theoretical model. Under current framework, regardless of boundary conditions, each displacement and each rotation of plates is represented by the modified Fourier series consisting of a standard Fourier cosine series and several closed-form auxiliary functions introduced to ensure and accelerate the convergence of the series representation. Then, the accurate solutions are obtained by using the Ritz procedure based on the energy function of sector plates. The present method shows good convergence, reliability, and accuracy by comprehensive investigation with some selected classical boundary conditions. Numerous new vibration results for moderately thick FG sandwich sector plates are provided. The effects of the elastic restraint parameters and so forth on free vibration characteristic of sector plates are presented.

  14. An approximate exchange-correlation hole density as a functional of the natural orbitals

    NARCIS (Netherlands)

    Buijse, M.A.; Baerends, E.J.

    2002-01-01

    The Fermi and Coulomb holes that can be used to describe the physics of electron correlation are calculated and analysed for a number of typical cases, ranging from prototype dynamical correlation to purely nondynamical correlation. Their behaviour as a function of the position of the reference

  15. Functional neural correlates of fluid and crystallized analogizing.

    Science.gov (United States)

    Geake, John G; Hansen, Peter C

    2010-02-15

    The main aim of this study was to characterize neural correlates of analogizing as a cognitive contributor to fluid and crystallized intelligence. In a previous fMRI study which employed fluid analogy letter strings as criteria in a multiple plausibility design (Geake and Hansen, 2005), two frontal ROIs associated with working memory (WM) load (within BA 9 and BA 45/46) were identified as regions in which BOLD increase correlated positively with a crystallized measure of (verbal) IQ. In this fMRI study we used fluid letter, number and polygon strings to further investigate the role of analogizing in fluid (transformation string completion) and non fluid or crystallized (unique symbol counting) cognitive tasks. The multi stimulus type (letter, number, polygon) design of the analogy strings enabled investigation of a secondary research question concerning the generalizability of fluid analogizing at a neural level. A selective psychometric battery, including the Raven's Progressive Matrices (RPM), measured individual cognitive abilities. Neural activations for the effect of task-fluid analogizing (string transformation plausibility) vs. crystallized analogizing (unique symbol counting)-included bilateral frontal and parietal areas associated with WM load and fronto parietal models of general intelligence. Neural activations for stimulus type differences were mainly confined to visually specific posterior regions. ROI covariate analyses of the psychometric measures failed to find consistent co-relationships between fluid analogizing and the RPM and other subtests, except for the WAIS Digit Symbol subtest in a group of bilateral frontal cortical regions associated with the maintenance of WM load. Together, these results support claims for separate developmental trajectories for fluid cognition and general intelligence as assessed by these psychometric subtests. Copyright 2009 Elsevier Inc. All rights reserved.

  16. Stoichiometric Correlation Analysis: Principles of Metabolic Functionality from Metabolomics Data

    Directory of Open Access Journals (Sweden)

    Kevin Schwahn

    2017-12-01

    Full Text Available Recent advances in metabolomics technologies have resulted in high-quality (time-resolved metabolic profiles with an increasing coverage of metabolic pathways. These data profiles represent read-outs from often non-linear dynamics of metabolic networks. Yet, metabolic profiles have largely been explored with regression-based approaches that only capture linear relationships, rendering it difficult to determine the extent to which the data reflect the underlying reaction rates and their couplings. Here we propose an approach termed Stoichiometric Correlation Analysis (SCA based on correlation between positive linear combinations of log-transformed metabolic profiles. The log-transformation is due to the evidence that metabolic networks can be modeled by mass action law and kinetics derived from it. Unlike the existing approaches which establish a relation between pairs of metabolites, SCA facilitates the discovery of higher-order dependence between more than two metabolites. By using a paradigmatic model of the tricarboxylic acid cycle we show that the higher-order dependence reflects the coupling of concentration of reactant complexes, capturing the subtle difference between the employed enzyme kinetics. Using time-resolved metabolic profiles from Arabidopsis thaliana and Escherichia coli, we show that SCA can be used to quantify the difference in coupling of reactant complexes, and hence, reaction rates, underlying the stringent response in these model organisms. By using SCA with data from natural variation of wild and domesticated wheat and tomato accession, we demonstrate that the domestication is accompanied by loss of such couplings, in these species. Therefore, application of SCA to metabolomics data from natural variation in wild and domesticated populations provides a mechanistic way to understanding domestication and its relation to metabolic networks.

  17. Tmd Factorization and Evolution for Tmd Correlation Functions

    Science.gov (United States)

    Mert Aybat, S.; Rogers, Ted C.

    We discuss the application of transverse momentum dependent (TMD) factorization theorems to phenomenology. Our treatment relies on recent extensions of the Collins-Soper-Sterman (CSS) formalism. Emphasis is placed on the importance of using well-defined TMD parton distribution functions (PDFs) and fragmentation functions (FFs) in calculating the evolution of these objects. We explain how parametrizations of unpolarized TMDs can be obtained from currently existing fixed-scale Gaussian fits and previous implementations of the CSS formalism in the Drell-Yan process, and provide some examples. We also emphasize the importance of agreed-upon definitions for having an unambiguous prescription for calculating higher orders in the hard part, and provide examples of higher order calculations. We end with a discussion of strategies for extending the phenomenological applications of TMD factorization to situations beyond the unpolarized case.

  18. Galaxy Redshifts from Discrete Optimization of Correlation Functions

    Science.gov (United States)

    Lee, Benjamin C. G.; Budavári, Tamás; Basu, Amitabh; Rahman, Mubdi

    2016-12-01

    We propose a new method of constraining the redshifts of individual extragalactic sources based on celestial coordinates and their ensemble statistics. Techniques from integer linear programming (ILP) are utilized to optimize simultaneously for the angular two-point cross- and autocorrelation functions. Our novel formalism introduced here not only transforms the otherwise hopelessly expensive, brute-force combinatorial search into a linear system with integer constraints but also is readily implementable in off-the-shelf solvers. We adopt Gurobi, a commercial optimization solver, and use Python to build the cost function dynamically. The preliminary results on simulated data show potential for future applications to sky surveys by complementing and enhancing photometric redshift estimators. Our approach is the first application of ILP to astronomical analysis.

  19. Effect of curvature on structures and vibrations of zigzag carbon ...

    Indian Academy of Sciences (India)

    First-principles pseudopotential-based density functional theory calculations of atomic and electronic structures, full phonon dispersions and thermal properties of zigzag single wall carbon nanotubes (SWCNTs) are presented. By determining the correlation between vibrational modes of a graphene sheet and of the ...

  20. Is two better than one? Muscle vibration plus robotic rehabilitation to improve upper limb spasticity and function: A pilot randomized controlled trial.

    Directory of Open Access Journals (Sweden)

    Rocco Salvatore Calabrò

    Full Text Available Even though robotic rehabilitation is very useful to improve motor function, there is no conclusive evidence on its role in reducing post-stroke spasticity. Focal muscle vibration (MV is instead very useful to reduce segmental spasticity, with a consequent positive effect on motor function. Therefore, it could be possible to strengthen the effects of robotic rehabilitation by coupling MV. To this end, we designed a pilot randomized controlled trial (Clinical Trial NCT03110718 that included twenty patients suffering from unilateral post-stroke upper limb spasticity. Patients underwent 40 daily sessions of Armeo-Power training (1 hour/session, 5 sessions/week, for 8 weeks with or without spastic antagonist MV. They were randomized into two groups of 10 individuals, which received (group-A or not (group-B MV. The intensity of MV, represented by the peak acceleration (a-peak, was calculated by the formula (2πf2A, where f is the frequency of MV and A is the amplitude. Modified Ashworth Scale (MAS, short intracortical inhibition (SICI, and Hmax/Mmax ratio (HMR were the primary outcomes measured before and after (immediately and 4 weeks later the end of the treatment. In all patients of group-A, we observed a greater reduction of MAS (p = 0.007, d = 0.6 and HMR (p<0.001, d = 0.7, and a more evident increase of SICI (p<0.001, d = 0.7 up to 4 weeks after the end of the treatment, as compared to group-B. Likewise, group-A showed a greater function outcome of upper limb (Functional Independence Measure p = 0.1, d = 0.7; Fugl-Meyer Assessment of the Upper Extremity p = 0.007, d = 0.4 up to 4 weeks after the end of the treatment. A significant correlation was found between the degree of MAS reduction and SICI increase in the agonist spastic muscles (p = 0.004. Our data show that this combined rehabilitative approach could be a promising option in improving upper limb spasticity and motor function. We could hypothesize that the greater rehabilitative outcome

  1. Brain structural and functional correlates of resilience to Bipolar Disorder.

    Science.gov (United States)

    Frangou, Sophia

    2011-12-06

    Resilient adaptation can be construed in different ways, but as used here it refers to adaptive brain responses associated with avoidance of psychopathology despite expressed genetic predisposition to Bipolar Disorder (BD). Although family history of BD is associated with elevated risk of affective morbidity a significant proportion of first-degree relatives remain free of psychopathology. Examination of brain structure and function in these individuals may inform on adaptive responses that pre-empt disease expression. Data presented here are derived from the Vulnerability to Bipolar Disorders Study (VIBES) which includes BD patients, asymptomatic relatives and controls. Participants underwent extensive investigations including brain structural (sMRI) and functional magnetic resonance imaging (fMRI). We present results from sMRI voxel-based-morphometry and from conventional and connectivity analyses of fMRI data obtained during the Stroop Colour Word Test (SCWT), a task of cognitive control during conflict resolution. All analyses were implemented using Statistical Parametric Mapping software version 5 (SPM5). Resilience in relatives was operationalized as the lifetime absence of clinical-range symptoms. Resilient relatives of BD patients expressed structural, functional, and connectivity changes reflecting the effect of genetic risk on the brain. These included increased insular volume, decreased activation within the posterior and inferior parietal regions involved in selective attention during the SCWT, and reduced fronto-insular and fronto-cingulate connectivity. Resilience was associated with increased cerebellar vermal volume and enhanced functional coupling between the dorsal and the ventral prefrontal cortex during the SCWT. Our findings suggests the presence of biological mechanisms associated with resilient adaptation of brain networks and pave the way for the identification of outcome-specific trajectories given a bipolar genotype.

  2. Brain structural and functional correlates of resilience to Bipolar Disorder

    Directory of Open Access Journals (Sweden)

    Sophia eFrangou

    2012-01-01

    Full Text Available Background: Resilient adaptation can be construed in different ways, but as used here it refers to the adaptive brain changes associated with avoidance of psychopathology despite familiar risk for Bipolar Disorder (BD. Although family history of BD is associated with elevated risk of affective morbidity a significant proportion of first-degree relatives of BD patients remains free of psychopathology. Examination of brain structure and function in these individuals may inform on adaptive changes that may pre-empt disease expression. Methods: Data presented here are derived from the Vulnerability to Bipolar Disorders (VIBES study which includes patients with BD, asymptomatic relatives and healthy controls. Participants underwent extensive investigations including brain structural (sMRI and functional magnetic resonance imaging (fMRI. The data presented here focus on sMRI voxel-based-morphometry and on conventional and connectivity analyses of fMRI data obtained during the Stroop Colour Word Test (SCWT, a task of cognitive control during conflict resolution. All analyses were implemented in SPM (www.fil.ion.ucl.ac.uk/spm. Resilience in relatives was operationalized as the absence of clinical-range symptoms.Results: Resilient relatives of BD patients expressed structural, functional and connectivity changes reflecting the effect of genetic risk on the brain. These included increased insular volume, decreased activation within the posterior and inferior parietal regions involved in selective attention during the SCWT, and reduced fronto-insular and fronto-cingulate connectivity.Resilience was associated with increased cerebellar vermal volume and enhanced functional coupling between the dorsal and the ventral prefrontal cortex. Conclusions: Our findings suggests the presence of biological mechanisms associated with resilient adaptation of brain networks and pave the way for the identification of outcome-specific trajectories given a particular

  3. Visualizing the anatomical-functional correlation of the human brain

    Science.gov (United States)

    Chang, YuKuang; Rockwood, Alyn P.; Reiman, Eric M.

    1995-04-01

    Three-dimensional tomographic images obtained from different modalities or from the same modality at different times provide complementary information. For example, while PET shows brain function, images from MRI identify anatomical structures. In this paper, we investigate the problem of displaying available information about structures and function together. Several steps are described to achieve our goal. These include segmentation of the data, registration, resampling, and display. Segmentation is used to identify brain tissue from surrounding tissues, especially in the MRI data. Registration aligns the different modalities as closely as possible. Resampling arises from the registration since two data sets do not usually correspond and the rendering method is most easily achieved if the data correspond to the same grid used in display. We combine several techniques to display the data. MRI data is reconstructed from 2D slices into 3D structures from which isosurfaces are extracted and represented by approximating polygonalizations. These are then displayed using standard graphics pipelines including shaded and transparent images. PET data measures the qualitative rates of cerebral glucose utilization or oxygen consumption. PET image is best displayed as a volume of luminous particles. The combination of both display methods allows the viewer to compare the functional information contained in the PET data with the anatomically more precise MRI data.

  4. Hormonal regulation of alveolarization: structure-function correlation

    Directory of Open Access Journals (Sweden)

    Godinez Marye H

    2006-03-01

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

  5. Density functional theory for prediction of far-infrared vibrational frequencies: molecular crystals of astrophysical interest

    Science.gov (United States)

    Ennis, C.; Auchettl, R.; Appadoo, D. R. T.; Robertson, E. G.

    2017-11-01

    Solid-state density functional theory code has been implemented for the structure optimization of crystalline methanol, acetaldehyde and acetic acid and for the calculation of infrared frequencies. The results are compared to thin film spectra obtained from low-temperature experiments performed at the Australian Synchrotron. Harmonic frequency calculations of the internal modes calculated at the B3LYP-D3/m-6-311G(d) level shows higher deviation from infrared experiment than more advanced theory applied to the gas phase. Importantly for the solid-state, the simulation of low-frequency molecular lattice modes closely resembles the observed far-infrared features after application of a 0.92 scaling factor. This allowed experimental peaks to be assigned to specific translation and libration modes, including acetaldehyde and acetic acid lattice features for the first time. These frequency calculations have been performed without the need for supercomputing resources that are required for large molecular clusters using comparable levels of theory. This new theoretical approach will find use for the rapid characterization of intermolecular interactions and bonding in crystals, and the assignment of far-infrared spectra for crystalline samples such as pharmaceuticals and molecular ices. One interesting application may be for the detection of species of prebiotic interest on the surfaces of Kuiper-Belt and Trans-Neptunian Objects. At such locations, the three small organic molecules studied here could reside in their crystalline phase. The far-infrared spectra for their low-temperature solid phases are collected under planetary conditions, allowing us to compile and assign their most intense spectral features to assist future far-infrared surveys of icy Solar system surfaces.

  6. A study of accurate exchange-correlation functionals through adiabatic connection

    Science.gov (United States)

    Singh, Rabeet; Harbola, Manoj K.

    2017-10-01

    A systematic way of improving exchange-correlation energy functionals of density functional theory has been to make them satisfy more and more exact relations. Starting from the initial generalized gradient approximation (GGA) functionals, this has culminated into the recently proposed SCAN (strongly constrained and appropriately normed) functional that satisfies several known constraints and is appropriately normed. The ultimate test for the functionals developed is the accuracy of energy calculated by employing them. In this paper, we test these exchange-correlation functionals—the GGA hybrid functionals B3LYP and PBE0 and the meta-GGA functional SCAN—from a different perspective. We study how accurately these functionals reproduce the exchange-correlation energy when electron-electron interaction is scaled as αVee with α varying between 0 and 1. Our study reveals interesting comparison between these functionals and the associated difference Tc between the interacting and the non-interacting kinetic energy for the same density.

  7. Ground Vibration Measurements at LHC Point 4

    Energy Technology Data Exchange (ETDEWEB)

    Bertsche, Kirk; /SLAC; Gaddi, Andrea; /CERN

    2012-09-17

    Ground vibration was measured at Large Hadron Collider (LHC) Point 4 during the winter shutdown in February 2012. This report contains the results, including power and coherence spectra. We plan to collect and analyze vibration data from representative collider halls to inform specifications for future linear colliders, such as ILC and CLIC. We are especially interested in vibration correlations between final focus lens locations.

  8. Optimal gene partition into operons correlates with gene functional order

    Science.gov (United States)

    Zaslaver, Alon; Mayo, Avi; Ronen, Michal; Alon, Uri

    2006-09-01

    Gene arrangement into operons varies between bacterial species. Genes in a given system can be on one operon in some organisms and on several operons in other organisms. Existing theories explain why genes that work together should be on the same operon, since this allows for advantageous lateral gene transfer and accurate stoichiometry. But what causes the frequent separation into multiple operons of co-regulated genes that act together in a pathway? Here we suggest that separation is due to benefits made possible by differential regulation of each operon. We present a simple mathematical model for the optimal distribution of genes into operons based on a balance of the cost of operons and the benefit of regulation that provides 'just-when-needed' temporal order. The analysis predicts that genes are arranged such that genes on the same operon do not skip functional steps in the pathway. This prediction is supported by genomic data from 137 bacterial genomes. Our work suggests that gene arrangement is not only the result of random historical drift, genome re-arrangement and gene transfer, but has elements that are solutions of an evolutionary optimization problem. Thus gene functional order may be inferred by analyzing the operon structure across different genomes.

  9. Autonomic function responses to training: Correlation with body composition changes.

    Science.gov (United States)

    Tian, Ye; Huang, Chuanye; He, Zihong; Hong, Ping; Zhao, Jiexiu

    2015-11-01

    The causal relation between autonomic function and adiposity is an unresolved issue. Thus, we studied whether resting heart rate variability (HRV) changes could be used to predict changes in body composition after 16 weeks of individualized exercise training. A total of 117 sedentary overweight/obese adults volunteered to join an intervention group (IN, n=82) or a control group (CON, n=35). The intervention group trained for 30-40 min three times a week with an intensity of 85-100% of individual ventilatory threshold (Thvent). At baseline and after a 16-week training period, resting HRV variables, body composition and peak oxygen uptake (VO2peak) were assessed. Compared with CON, exercise training significantly improved HRV and body composition and increased VO2peak (Ptraining were observed for those with greater total and central fat loss. Individual aerobic-based exercise training was for improving autonomic function and resting HRV responses to aerobic training is a potential indicator for adaptations to exercise training. Copyright © 2015. Published by Elsevier Inc.

  10. Correlation between videogame mechanics and executive functions through EEG analysis.

    Science.gov (United States)

    Mondéjar, Tania; Hervás, Ramón; Johnson, Esperanza; Gutierrez, Carlos; Latorre, José Miguel

    2016-10-01

    This paper addresses a different point of view of videogames, specifically serious games for health. This paper contributes to that area with a multidisciplinary perspective focus on neurosciences and computation. The experiment population has been pre-adolescents between the ages of 8 and 12 without any cognitive issues. The experiment consisted in users playing videogames as well as performing traditional psychological assessments; during these tasks the frontal brain activity was evaluated. The main goal was to analyse how the frontal lobe of the brain (executive function) works in terms of prominent cognitive skills during five types of game mechanics widely used in commercial videogames. The analysis was made by collecting brain signals during the two phases of the experiment, where the signals were analysed with an electroencephalogram neuroheadset. The validated hypotheses were whether videogames can develop executive functioning and if it was possible to identify which kind of cognitive skills are developed during each kind of typical videogame mechanic. The results contribute to the design of serious games for health purposes on a conceptual level, particularly in support of the diagnosis and treatment of cognitive-related pathologies. Copyright © 2016 Elsevier Inc. All rights reserved.

  11. Correlation function and electronic spectral line broadening in relativistic plasmas

    Directory of Open Access Journals (Sweden)

    Douis S.

    2013-01-01

    Full Text Available The electrons dynamics and the time autocorrelation function Cee(t for the total electric microfield of the electrons on positive charge impurity embedded in a plasma are considered when the relativistic dynamic of the electrons is taken into account. We have, at first, built the effective potential governing the electrons dynamics. This potential obeys a nonlinear integral equation that we have solved numerically. Regarding the electron broadening of the line in plasma, we have found that when the plasma parameters change, the amplitude of the collision operator changes in the same way as the time integral of Cee(t. The electron-impurity interaction is taken at first time as screened Deutsh interaction and at the second time as Kelbg interaction. Comparisons of all interesting quantities are made with respect to the previous interactions as well as between classical and relativistic dynamics of electrons.

  12. Conformal Window and Correlation Functions in Lattice Conformal QCD

    CERN Document Server

    Iwasaki, Y

    2012-01-01

    We discuss various aspects of Conformal Field Theories on the Lattice. We investigate the SU(3) gauge theory with Nf fermions in the fundamental representation. First we make a brief review of our previous works on the phase structure of lattice gauge theories in terms of the gauge coupling constant and the quark mass. We thereby clarify the reason why we conjecture that the conformal window is 7 = 1 exhibit the characteristics of the conformal function with IR cutoff, an exponential damping with power correction. Investigating our numerical data by a new method, the "micro-analysis" of propagators, we observe that our data are consistent with the picture that the Nf=7 case and the Nf=2 at T ~ 2Tc case are close to the meson unparticle model. On the other hand, the Nf=16 case and the Nf=2 at T= 10^2 ~10^5 Tc cases are close to the fermion unparticle model.

  13. Correlation functions of the Aharony-Bergman-Jafferis-Maldacena model

    Science.gov (United States)

    Lee, Bum-Hoon; Gwak, Bogeun; Park, Chanyong

    2013-04-01

    In the Aharony-Bergman-Jafferis-Maldacena model, we study the three-point function of two heavy operators and an (ir)relevant one. Following the AdS/CFT correspondence, the structure constant in the large ’t Hooft coupling limit can be factorized into two parts. One is the structure constant with a marginal operator, which is fully determined by the physical quantities of heavy operators and gives rise to a result that is consistent with the renormalization-group analysis. The other can be expressed as the universal form depending only on the conformal dimension of an (ir)relevant operator. We also investigate the new size effect of a circular string dual to a certain closed spin chain.

  14. Monitoring vibrations

    Energy Technology Data Exchange (ETDEWEB)

    Tiryaki, B. [Hacettepe University (Turkey). Dept. of Mining Engineering

    2003-12-01

    The paper examines the prediction and optimisation of machine vibrations in longwall shearers. Underground studies were carried out at the Middle Anatolian Lignite Mine, between 1993 and 1997. Several shearer drums with different pick lacing arrangements were designed and tested on double-ended ranging longwall shearers employed at the mine. A computer program called the Vibration Analysis Program (VAP) was developed for analysing machine vibrations in longwall shearers. Shearer drums that were tested underground, as well as some provided by leading manufacturers, were analyzed using these programs. The results of the experiments and computer analyses are given in the article. 4 refs., 9 figs.

  15. Does Whole-Body Vibration Improve the Functional Exercise Capacity of Subjects With COPD? A Meta-Analysis.

    Science.gov (United States)

    Cardim, Adriane B; Marinho, Patrícia Em; Nascimento, Jasiel F; Fuzari, Helen Kb; Dornelas de Andrade, Armèle

    2016-11-01

    Whole-body vibration (WBV) is considered a type of physical activity based on the assumption that it results in an increase in muscle strength and performance and, therefore, may be a promising way to exercise patients with COPD. A comprehensive database search (PubMed/MEDLINE, LILACS, CINAHL, Web of Science, Scopus, and COCHRANE Library) for randomized trials, including original articles, that compared WBV groups versus control groups was conducted and studies were selected for comparison. The effect of WBV treatment was compared for minimum clinically important differences. The statistical heterogeneity among the studies was assessed using the I2 statistic; the results are expressed as percentages. Inconsistencies of up to 25% were considered low, those between 50 and 75% were considerate moderate, and those > 75% were considered high. Risk of bias was classified based on the Cochrane Collaboration tool, the meta-analysis was conducted using RevMan 5.3 software, and the level of evidence was assessed using the GRADE system. The primary outcome was functional exercise capacity. Secondary outcomes were quality of life, performance in activities of daily living, muscle strength of the lower limbs, and possible adverse effects assessed clinically or by subject reports. We included 4 articles involving 185 subjects for analysis. All subjects in the groups undergoing WBV showed improvement in distance walked in the 6-min walk test compared with the control group (57.85 m, 95% CI 16.36-99.33 m). Regarding the secondary end points, just one article reported improved quality of life and activities of daily living. The only article that assessed muscle strength found no difference between the groups. The quality of evidence for functional exercise capacity outcome was considered moderate. WBV seems to benefit subjects with COPD by improving their functional exercise capacity, without producing adverse effects. The quality of evidence is moderate, but the degree of

  16. Theoretical analysis based on fundamental functions of thin plate and experimental measurement for vibration characteristics of a plate coupled with liquid

    Science.gov (United States)

    Liao, Chan-Yi; Wu, Yi-Chuang; Chang, Ching-Yuan; Ma, Chien-Ching

    2017-04-01

    This study combined theoretical, experimental, and numerical analysis to investigate the vibration characteristics of a thin rectangular plate positioned horizontally at the bottom of a rectangular container filled with liquid. Flow field pressure was derived using an equation governing the behavior of incompressible fluids. Analytic solutions to vibrations in a thin plate in air served as the fundamental function of the thin plate coupled with liquid. We then used liquid pressure, and the out-of-plane deflection of the thin plate for the construction of frequency response functions for the analysis of vibration characteristics in the liquid-plate coupling system. Two experimental methods were employed to measure the vibration characteristics of the thin plate immersed in water. The first involved using sensors of polyvinylidene difluoride (PVDF) to measure transient signals of fluid-plate system subjected an impact at the thin plate. These were then converted to the frequency domain in order to obtain the resonant frequencies of the fluid-plate coupling system. The second method was amplitude-fluctuation electronic speckle pattern interferometry (AF-ESPI), which was used to measure the dynamic characteristics of the thin plate in the flow field. This method was paired with the image processing techniques, temporal speckle pattern interferometry (TSPI) and temporal standard deviation (TSTD), to obtain clear mode shapes of the thin plate and resonant frequencies. Comparison of the results from theoretical analysis, finite element method, and experimental measurements confirmed the accuracy of our theoretical analysis, which was superior to the conventional approach based on beam mode shape functions. The experimental methods proposed in this study can be used to measure the resonant frequencies of underwater thin plates, and clear mode shapes can be obtained using AF-ESPI. Our results indicate that the resonant frequencies of thin plates underwater are lower than

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

    Science.gov (United States)

    Mcclelland, J.; Silk, J.

    1977-01-01

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

  18. Fractional Brownian motions: memory, diffusion velocity, and correlation functions

    Science.gov (United States)

    Fuliński, A.

    2017-02-01

    Fractional Brownian motions (FBMs) have been observed recently in the measured trajectories of individual molecules or small particles in the cytoplasm of living cells and in other dense composite systems, among others. Various types of FBMs differ in a number of ways, including the strength, range and type of damping of the memory encoded in their definitions, but share several basic characteristics: distributions, non-ergodic properties, and scaling of the second moment, which makes it difficult to determine which type of Brownian motion (fractional or normal) the measured trajectory belongs to. Here, we show, by introducing FBMs with regulated range and strength of memory, that it is the structure of memory which determines their physical properties, including mean velocity of diffusion; therefore, the course and kinetics of several processes (including coagulation and some chemical reactions). We also show that autocorrelation functions possess characteristic features which enable identification of an observed FBM, and of the type of memory governing its trajectory. In memoriam Marian Smoluchowski, on the 100th anniversary of the publication of his seminal papers on Brownian motion and diffusion-limited kinetics.

  19. Correlations between motor and sensory functions in upper limb chronic hemiparetics after stroke

    Directory of Open Access Journals (Sweden)

    Thais Botossi Scalha

    2011-08-01

    Full Text Available OBJECTIVE: Describe the somatosensory function of the affected upper limb of hemiparetic stroke patients and investigate the correlations between measurements of motor and sensory functions in tasks with and without visual deprivation. METHOD: We applied the Fugl-Meyer Assessment (FMA, Nottingham Sensory Assessment (NSA, and several motor and sensory tests: Paper manipulation (PM, Motor Sequences (MS, Reaching and grasping (RG Tests Functional (TF, Tactile Discrimination (TD, Weight Discrimination (WD and Tactile Recognition of Objects (RO. RESULTS: We found moderate correlations between the FMA motor subscale and the tactile sensation score of the NSA. Additionally, the FMA sensitivity was correlated with the NSA total; and performance on the WD test items correlated with the NSA. CONCLUSION: There was a correlation between the sensory and motor functions of the upper limb in chronic hemiparetic stroke patients. Additionally, there was a greater reliance on visual information to compensate for lost sensory-motor skills.

  20. Hand function tests and questions on hand symptoms as related to the Stockholm workshop scales for diagnosis of hand-arm vibration syndrome.

    Science.gov (United States)

    Cederlund, R; Iwarsson, S; Lundborg, G

    2003-04-01

    The severity of hand-arm vibration syndrome (HAVS) is usually graded according to the Stockholm workshop scales. Although the Stockholm workshop scales are regarded the gold standard for assessing the severity of HAVS, they are based primarily on subjective symptoms. The aim of the present study was to explore the agreement between Stockholm workshop scales and the outcome from ten well-defined clinical tests commonly used in hand rehabilitation for assessment of hand function. One hundred and eleven vibration-exposed workers participated in the study. Ten objective tests of hand function and four questions on subjective hand symptoms were included. The results indicated that, out of these tests, perception of vibration, perception of touch/pressure and dexterity showed a moderate agreement with Stockholm workshop scales. Among specific questions on hand symptoms, cold intolerance and pain showed a high agreement with Stockholm workshop scales. It is concluded that defined objective tests combined with directed questions on specific hand symptoms, together with the Stockholm workshop scales, may be helpful for diagnosing HAVS.

  1. Analysis of structure and vibrational dynamics of the BeTe(001) surface using X-ray diffraction, Raman spectroscopy, and density functional theory

    DEFF Research Database (Denmark)

    Kumpf, C.; Müller, A.; Weigand, W.

    2003-01-01

    in the underlying Te layer. The Be-rich surface exhibits a (4 X 1) periodicity with alternating Te dimers and Te-Be-Te trimers. A vibration eigenfrequency of 165 cm(-1) is observed for the Te-rich surface, while eigenmodes at 157 and 188 cm(-1) are found for the Be-rich surface. The experimentally derived atomic......The atomic structure and lattice dynamics of epitaxial BeTe(001) thin films are derived from surface x-ray diffraction and Raman spectroscopy. On the Te-rich BeTe(001) surface [1 (1) over bar0]-oriented Te dimers are identified. They cause a (2 X 1) superstructure and induce a pronounced buckling...... geometry and the vibration modes are in very good agreement with the results of density functional theory calculations....

  2. Vibrational Diver

    Science.gov (United States)

    Kozlov, Victor; Ivanova, Alevtina; Schipitsyn, Vitalii; Stambouli, Moncef

    2014-10-01

    The paper is concerned with dynamics of light solid in cavity with liquid subjected to rotational vibration in the external force field. New vibrational phenomenon - diving of a light cylinder to the cavity bottom is found. The experimental investigation of a horizontal annulus with a partition has shown that under vibration a light body situated in the upper part of the layer is displaced in a threshold manner some distance away from the boundary. In this case the body executes symmetric tangential oscillations. An increase of the vibration intensity leads to a tangential displacement of the body near the external boundary. This displacement is caused by the tangential component of the vibrational lift force, which appears as soon as the oscillations lose symmetry. In this case the trajectory of the body oscillatory motion has the form of a loop. The tangential lift force makes stable the position of the body on the inclined section of the layer and even in its lower part. A theoretical interpretation has been proposed, which explains stabilization of a quasi-equilibrium state of a light body near the cavity bottom in the framework of vibrational hydromechanics.

  3. Vibrational lineshapes of adsorbates on solid surfaces

    Science.gov (United States)

    Ueba, H.

    A review is presented of the current activity in vibrational spectroscopy of adsorbates on metal surfaces. A brief introduction of the representative spectroscopies is given to demonstrate the rich information contained in vibrational spectra, which are characterized by their intensity, peak position and width. Analysis of vibrational spectra enables us to gain the deep insight into not only the local character of adsorption site or geometry, but also the dynamical interaction between the adsorbates or between the adsorbate and the substrate. Some recent instructive experimental results, mostly of a CO molecule adsorbed on various metal surfaces, are accompanied by the corresponding theoretical recipe for vibrational excitation mechanisms. Wide spread experimental results of the C-O stretching frequency of CO adsorbed on metal surfaces are discussed in terms of the chemical effect involving the static and dynamic charge transfers between the chemisorbed CO and metal, and also of the electrostatic dipole-dipole interaction between the molecules. The central subject of this review is directed to the linshapes characterized by the vibrational relaxation processes of adsorbates. A simple and transparent model is introduced to show that the characteristic decay time of the correlation function for the vibrational coordinates is the key quantity to determine the spectral lineshapes. Recent experimental results focused on a search for an intrinsic broadening mechanism are reviewed in the light of the so-called T1 (energy) and T2 (phase) relaxation processesof the vibrational excited states of adsorbates. Those are the vibrational energy dissipation into the elementary excitation, such as phonons or electron-hole pairs in the metal substrate, and pure dephasing due to the energy exchange with the sorroundings. The change of width and frequency by varying the experimental variables, such as temperature or isotope effect, provides indispensable knowledge for the dynamical

  4. On minimizing the influence of the noise tail of correlation functions in operational modal analysis

    DEFF Research Database (Denmark)

    Tarpø, Marius; Olsen, Peter; Amador, Sandro

    2017-01-01

    on the identification results (random errors) when the noise tail is included in the identification. On the other hand, if the correlation function is truncated too much, then important information is lost. In other to minimize this error, a suitable truncation based on manual inspection of the correlation function...... is normally used. However, in automated OMA, an automated procedure is needed for the truncation. Based on known theoretical solutions from the literature, a model is proposed in this paper to automatically truncate the correlation function at the point where it starts to get dominated by the noise tail...

  5. 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.

  6. Correlation functions of the energy-momentum tensor in SU(2) gauge theory at finite temperature

    DEFF Research Database (Denmark)

    Huebner, K.; Karsch, F.; Pica, Claudio

    2008-01-01

    We calculate correlation functions of the energy-momentum tensor in the vicinity of the deconfinement phase transition of (3+1)-dimensional SU(2) gauge theory and discuss their critical behavior in the vicinity of the second order deconfinement transition. We show that correlation functions...... of the trace of the energy momentum tensor diverge uniformly at the critical point in proportion to the specific heat singularity. Correlation functions of the pressure, on the other hand, stay finite at the critical point. We discuss the consequences of these findings for the analysis of transport...

  7. BALANCE FUNCTIONS : Multiplicity and transverse momentum dependence of the charge dependent correlations in ALICE

    NARCIS (Netherlands)

    Rodriguez Manso, A.

    2015-01-01

    The measurement of charge-dependent correlations between positively and negatively charged particles as a function of pseudorapidity and azimuthal angle, known as the \\emph{balance functions}, provide insight to the properties of matter created in high-energy collisions. The balance functions are

  8. Correlation between Cognitive Functions and Activity of Daily Living among Post-Stroke Patients

    Directory of Open Access Journals (Sweden)

    Kurniawan Prakoso

    2016-09-01

    Full Text Available Background: Cognitive impairment is one of the most common post-stroke complications; however, neither patients nor health professionals are often aware of this complication. The impact of cognitive impairment on quality of life is reflected through basic activity daily living (bADL and instrumental activity daily living (IADL. Prior studies concerning the correlation between cognitive impairment and activity daily living has shown contradictive results. This study was conducted in order to analyze the correlation between the cognitive functions and activity daily living in post stroke patients at Dr. Hasan Sadikin General Hospital. Methods: This cross-sectional study was carried out to 23 post-stroke patients from September–November 2015. Samples were collected through consecutive sampling at Dr. Hasan Sadikin General Hospital. Mini Mental State Examination (MMSE was used to assess the cognitive functions and Lawton and Brody Scale to assess both bADL and IADL. Spearman correlation was selected to analyze the existing correlation between each cognitive domain and activity daily living. Results: Spearman statistical correlation showed an insignificant correlation between the cognitive functions and bADL (r2=0.181, p=0.408 and a significant correlation with IADL was obtained (r2=0.517, p=0.03. The only cognitive domain positively correlated with IADL was orientation to time and verbal recall. Conclusions: There is a correlation between cognitive functions and IADL among post-stroke patients at Dr. Hasan Sadikin General Hospital.

  9. Whole-body vibration improves functional capacity and quality of life in patients with severe chronic obstructive pulmonary disease (COPD: a pilot study

    Directory of Open Access Journals (Sweden)

    Braz Júnior DS

    2015-01-01

    Full Text Available Donato S Braz Júnior, Arméle Dornelas de Andrade, Andrei S Teixeira, Cléssyo A Cavalcanti, André B Morais, Patrícia EM Marinho Department of Physical Therapy, Cardiopulmonary Physical Therapy Laboratory, Universidade Federal de Pernambuco, Recife, Brazil Background: Exercise intolerance is a common development in patients with chronic obstructive pulmonary disease (COPD. There is little data on the use of an isolated program using vibration platform training on functional capacity in these patients, which is an area that deserves investigation.Aim: To investigate the effect of training on a vibrating platform (whole-body vibration [WBV] on functional performance and quality of life of subjects with COPD.Methods: A randomized controlled crossover pilot study with eleven subjects with COPD (forced expiratory volume in 1 second [FEV1]% predicted =14.63±11.14; forced vital capacity [FVC]% predicted =48.84±15.21; FEV1/FVC =47.39±11.63 underwent a 12-week WBV training program. Participants were randomized into the intervention group (IG undergoing three sessions per week for a total of 12 weeks and control group (CG without intervention. We evaluated the 6-minute walk test (6MWT, distance walked (DW, duration of the walk (TW, and index of perceived exertion (IPE, quality of life using St George’s Respiratory Questionnaire (SGRQ and developed a 12-week program of training on a vibrating platform.Results: The mean age was 62.91±8.82 years old (72.7% male. The DW increased at the end of training with a difference between groups of 75 m; all domains of the SGRQ improved at the end of training. The effect size Cohen’s d ranged from small to large for all the measured results.Conclusion: These preliminary results suggest that WBV may potentially be a safe and feasible way to improve functional capacity in the 6MWT of patients with COPD undergoing a training program on the vibrating platform as well as in all domains of the SGRQ quality of life

  10. Atropisomerism at C ̶ N bonds: Structural conformations and vibrational spectral study of Iminothiazoline Derivatives with density functional theoretical optimizations

    Directory of Open Access Journals (Sweden)

    F.Z. MIMOUNI

    2013-03-01

    Full Text Available The isolation of the pair atropisomers of the both iminothiazoline derivatives and the spectroscopic analytical of the compound have been computed using B3LYP/6-31G(d,p level to derive the equilibrium geometry, conformational stability, molecular orbital energies and vibrational frequencies was studied in this paper.

  11. Short-Term Effects of Whole-Body Vibration Combined with Task-Related Training on Upper Extremity Function, Spasticity, and Grip Strength in Subjects with Poststroke Hemiplegia: A Pilot Randomized Controlled Trial.

    Science.gov (United States)

    Lee, Jung-Sun; Kim, Chang-Yong; Kim, Hyeong-Dong

    2016-08-01

    The aim of this study was to determine the effect of whole-body vibration training combined with task-related training on arm function, spasticity, and grip strength in subjects with poststroke hemiplegia. Forty-five subjects with poststroke were randomly allocated to 3 groups, each with 15 subjects as follows: control group, whole-body vibration group, and whole-body vibration plus task-related training group. Outcome was evaluated by clinical evaluation and measurements of the grip strength before and 4 weeks after intervention. Our results show that there was a significantly greater increase in the Fugl-Meyer scale, maximal grip strength of the affected hand, and grip strength normalized to the less affected hand in subjects undergoing the whole-body vibration training compared with the control group after the test. Furthermore, there was a significantly greater increase in the Wolf motor function test and a decrease in the modified Ashworth spasticity total scores in subjects who underwent whole-body vibration plus task-related training compared with those in the other 2 groups after the test. The findings indicate that the use of whole-body vibration training combined with task-related training has more benefits on the improvement of arm function, spasticity, and maximal grip strength than conventional upper limb training alone or with whole-body vibration in people with poststroke hemiplegia.

  12. Spatially heterogeneous dynamics investigated via a time-dependent four-point density correlation function

    DEFF Research Database (Denmark)

    Lacevic, N.; Starr, F. W.; Schrøder, Thomas

    2003-01-01

    correlation function g4(r,t) and corresponding "structure factor" S4(q,t) which measure the spatial correlations between the local liquid density at two points in space, each at two different times, and so are sensitive to dynamical heterogeneity. We study g4(r,t) and S4(q,t) via molecular dynamics......Relaxation in supercooled liquids above their glass transition and below the onset temperature of "slow" dynamics involves the correlated motion of neighboring particles. This correlated motion results in the appearance of spatially heterogeneous dynamics or "dynamical heterogeneity." Traditional...... two-point time-dependent density correlation functions, while providing information about the transient "caging" of particles on cooling, are unable to provide sufficiently detailed information about correlated motion and dynamical heterogeneity. Here, we study a four-point, time-dependent density...

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

    Science.gov (United States)

    Wang, Hua; Huang, Heng; Ding, Chris

    2015-06-01

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

  14. Spin-spin correlation functions of the q-VBS state of an integer spin model

    OpenAIRE

    Arita, Chikashi; Motegi, Kohei

    2010-01-01

    We consider the valence-bond-solid ground state of the q-deformed higher-spin AKLT model (q-VBS state). We investigate the eigenvalues and eigenvectors of a matrix (G matrix), which is constructed from the matrix product representation of the q-VBS state. We compute the longitudinal and transverse spin-spin correlation functions, and determine the correlation amplitudes and correlation lengths for real q.

  15. Four-point correlation function of stress-energy tensors in N=4 superconformal theories

    CERN Document Server

    Korchemsky, G P

    2015-01-01

    We derive the explicit expression for the four-point correlation function of stress-energy tensors in four-dimensional N=4 superconformal theory. We show that it has a remarkably simple and suggestive form allowing us to predict a large class of four-point correlation functions involving the stress-energy tensor and other conserved currents. We then apply the obtained results on the correlation functions to computing the energy-energy correlations, which measure the flow of energy in the final states created from the vacuum by a source. We demonstrate that they are given by a universal function independent of the choice of the source. Our analysis relies only on N=4 superconformal symmetry and does not use the dynamics of the theory.

  16. Correlation functions of the chiral stress-tensor multiplet in $ \\mathcal{N}=4 $ SYM

    CERN Document Server

    Chicherin, Dmitry; Eden, Burkhard; Heslop, Paul; Korchemsky, Gregory P.; Mason, Lionel; Sokatchev, Emery

    2015-01-01

    We give a new method for computing the correlation functions of the chiral part of the stress-tensor supermultiplet that relies on the reformulation of N=4 SYM in twistor space. It yields the correlation functions in the Born approximation as a sum of Feynman diagrams on twistor space that involve only propagators and no integration vertices. We use this unusual feature of the twistor Feynman rules to compute the correlation functions in terms of simple building blocks which we identify as a new class of N=4 off-shell superconformal invariants. Making use of the duality between correlation functions and planar scattering amplitudes, we demonstrate that these invariants represent an off-shell generalisation of the on-shell invariants defining tree-level scattering amplitudes in N=4 SYM.

  17. Rainfall interstation correlation functions derived for a class of generalized storm models

    NARCIS (Netherlands)

    Stol, P.T.

    1983-01-01

    The complete derivation and solution of the rainfall interstation correlation function is described. The report emphasizes the mathematical treatment and the way in which the analytical solution can be obtained by calculus

  18. Virtual reality functional capacity assessment in schizophrenia: Preliminary data regarding feasibility and correlations with cognitive and functional capacity performance

    OpenAIRE

    Stacy A. Ruse; Philip D. Harvey; Vicki G. Davis; Alexandra S. Atkins; Kolleen H. Fox; Richard S.E. Keefe

    2014-01-01

    Introduction: Assessment of functional capacity is an intrinsic part of determining the functional relevance of response to treatment of cognitive impairment in schizophrenia. Existing methods are highly and consistently correlated with performance on neuropsychological tests, but most current assessments of functional capacity are still paper and pencil simulations. We developed a computerized virtual reality assessment that contains all of the components of a shopping trip. Methods: We a...

  19. Computing Wigner distributions and time correlation functions using the quantum thermal bath method: application to proton transfer spectroscopy.

    Science.gov (United States)

    Basire, Marie; Borgis, Daniel; Vuilleumier, Rodolphe

    2013-08-14

    Langevin dynamics coupled to a quantum thermal bath (QTB) allows for the inclusion of vibrational quantum effects in molecular dynamics simulations at virtually no additional computer cost. We investigate here the ability of the QTB method to reproduce the quantum Wigner distribution of a variety of model potentials, designed to assess the performances and limits of the method. We further compute the infrared spectrum of a multidimensional model of proton transfer in the gas phase and in solution, using classical trajectories sampled initially from the Wigner distribution. It is shown that for this type of system involving large anharmonicities and strong nonlinear coupling to the environment, the quantum thermal bath is able to sample the Wigner distribution satisfactorily and to account for both zero point energy and tunneling effects. It leads to quantum time correlation functions having the correct short-time behavior, and the correct associated spectral frequencies, but that are slightly too overdamped. This is attributed to the classical propagation approximation rather than the generation of the quantized initial conditions themselves.

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

    DEFF Research Database (Denmark)

    Wellendorff, Jess; Lundgård, Keld Troen; Møgelhøj, Andreas

    2012-01-01

    A methodology for semiempirical density functional optimization, using regularization and cross-validation methods from machine learning, is developed. We demonstrate that such methods enable well-behaved exchange-correlation approximations in very flexible model spaces, thus avoiding the overfit......A methodology for semiempirical density functional optimization, using regularization and cross-validation methods from machine learning, is developed. We demonstrate that such methods enable well-behaved exchange-correlation approximations in very flexible model spaces, thus avoiding...

  1. Integral formulae of the canonical correlation functions for the one dimensional transverse Ising model

    Science.gov (United States)

    Inoue, Makoto

    2017-12-01

    Some new formulae of the canonical correlation functions for the one dimensional quantum transverse Ising model are found by the ST-transformation method using a Morita's sum rule and its extensions for the two dimensional classical Ising model. As a consequence we obtain a time-independent term of the dynamical correlation functions. Differences of quantum version and classical version of these formulae are also discussed.

  2. Double-time correlation functions of two quantum operations in open systems

    Science.gov (United States)

    Ban, Masashi

    2017-10-01

    A double-time correlation function of arbitrary two quantum operations is studied for a nonstationary open quantum system which is in contact with a thermal reservoir. It includes a usual correlation function, a linear response function, and a weak value of an observable. Time evolution of the correlation function can be derived by means of the time-convolution and time-convolutionless projection operator techniques. For this purpose, a quasidensity operator accompanied by a fictitious field is introduced, which makes it possible to derive explicit formulas for calculating a double-time correlation function in the second-order approximation with respect to a system-reservoir interaction. The derived formula explicitly shows that the quantum regression theorem for calculating the double-time correlation function cannot be used if a thermal reservoir has a finite correlation time. Furthermore, the formula is applied for a pure dephasing process and a linear dissipative process. The quantum regression theorem and the the Leggett-Garg inequality are investigated for an open two-level system. The results are compared with those obtained by exact calculation to examine whether the formula is a good approximation.

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

    Science.gov (United States)

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

    1994-01-01

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

  4. Space and time analysis of the nanosecond scale discharges in atmospheric pressure air: I. Gas temperature and vibrational distribution function of N2 and O2

    Science.gov (United States)

    Lo, A.; Cessou, A.; Boubert, P.; Vervisch, P.

    2014-03-01

    Reliable experimental data on nanosecond discharge plasmas in air become more and more crucial considering their interest in a wide field of applications. However, the investigations on such nonequilibrium plasmas are made difficult by the spatial non-homogeneities, in particular under atmospheric pressure, the wide range of time scales, and the complexity of multi-physics processes involved therein. In this study, we report spatiotemporal experimental analysis on the gas temperature and the vibrational excitation of N2 and O2 in their ground electronic state during the post-discharge of an overvoltage nanosecond-pulsed discharge generated in a pin-to-plane gap of air at atmospheric pressure. The gas temperature during the pulsed discharge is measured by optical emission spectroscopy related to the rotational bands of the 0-0 vibrational transition N2(C 3 Πu, v = 0) → N2(B3 Πg, v = 0) of nitrogen. The results show a rapid gas heating up to 700 K in tens of nanoseconds after the current rise. This fast gas heating leads to a high gas temperature up to 1000 K measured at 150 ns in the first stages of the post-discharge using spontaneous Raman scattering (SRS). The spatiotemporal measurements of the gas temperature and the vibrational distribution function of N2 and O2, also obtained by SRS, over the post-discharge show the spatial expansion of the high vibrational excitation of N2, and the gas heating during the post-discharge. The present measurements, focused on thermal and energetic aspect of the discharge, provide a base for spatiotemporal analysis of gas number densities of N2, O2 and O atoms and hydrodynamic effects achieved during the post-discharge in part II of this investigation. All these results provide space and time database for the validation of plasma chemical models for nanosecond-pulsed discharges at atmospheric pressure air.

  5. Vibrations in a moving flexible robot arm

    Science.gov (United States)

    Wang, P. K. C.; Wei, Jin-Duo

    1987-01-01

    The vibration in a flexible robot arm modeled by a moving slender prismatic beam is considered. It is found that the extending and contracting motions have destabilizing and stabilizing effects on the vibratory motions, respectively. The vibration analysis is based on a Galerkin approximation with time-dependent basis functions. Typical numerical results are presented to illustrate the qualitative features of vibrations.

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

    Science.gov (United States)

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

    1990-09-01

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

  7. Green's function retrieval and passive imaging from correlations of wideband thermal radiations.

    Science.gov (United States)

    Davy, Matthieu; Fink, Mathias; de Rosny, Julien

    2013-05-17

    We present an experimental demonstration of electromagnetic Green's function retrieval from thermal radiations in anechoic and reverberant cavities. The Green's function between two antennas is estimated by cross correlating milliseconds of decimeter noise. We show that the temperature dependence of the cross-correlation amplitude is well predicted by the blackbody theory in the Rayleigh-Jeans limit. The effect of a nonuniform temperature distribution on the cross-correlation time symmetry is also explored. Finally, we open a new way to image scatterers using ambient thermal radiations.

  8. Vibrational spectroscopy of resveratrol

    Science.gov (United States)

    Billes, Ferenc; Mohammed-Ziegler, Ildikó; Mikosch, Hans; Tyihák, Ernő

    2007-11-01

    In this article the authors deal with the experimental and theoretical interpretation of the vibrational spectra of trans-resveratrol (3,5,4'-trihydroxy- trans-stilbene) of diverse beneficial biological activity. Infrared and Raman spectra of the compound were recorded; density functional calculations were carried out resulting in the optimized geometry and several properties of the molecule. Based on the calculated force constants, a normal coordinate analysis yielded the character of the vibrational modes and the assignment of the measured spectral bands.

  9. Man-Induced Vibrations

    DEFF Research Database (Denmark)

    Jönsson, Jeppe; Hansen, Lars Pilegaard

    1994-01-01

    concerned with spectator-induced vertical vibrations on grandstands. The idea is to use impulse response analysis and base the load description on the load impulse. If the method is feasable, it could be used in connection with the formulation of requirements in building codes. During the last two decades...... work has been done on the measurement of the exact load functions and related reponse analysis. A recent work using a spectral description has been performed by Per-Erik Erikson and includes a good literature survey. Bachmann and Ammann give a good overview of vibrations caused by human activity. Other...

  10. Generalized q-deformed correlation functions as spectral functions of hyperbolic geometry

    Energy Technology Data Exchange (ETDEWEB)

    Bonora, L. [International School for Advanced Studies (SISSA/ISAS), Trieste (Italy); INFN, Sezione di Trieste, Trieste (Italy); Bytsenko, A.A. [Universidade Estadual de Londrina, Departamento de Fisica, Caixa Postal 6001, Londrina, Parana (Brazil); Guimaraes, M.E.X. [Universidade Federal Fluminense, Instituto de Fisica, Niteroi-RJ CEP (Brazil)

    2014-08-15

    We analyze the role of vertex operator algebra and 2d amplitudes from the point of view of the representation theory of infinite-dimensional Lie algebras, MacMahon and Ruelle functions. By definition p-dimensional MacMahon function, with p ≤ 3, is the generating function of p-dimensional partitions of integers. These functions can be represented as amplitudes of a two-dimensional c = 1 CFT, and, as such, they can be generalized to p > 3. With some abuse of language we call the latter amplitudes generalized MacMahon functions. In this paper we show that generalized p-dimensional MacMahon functions can be rewritten in terms of Ruelle spectral functions, whose spectrum is encoded in the Patterson-Selberg function of three-dimensional hyperbolic geometry. (orig.)

  11. Molecular vibrations the theory of infrared and Raman vibrational spectra

    CERN Document Server

    Wilson, E Bright; Cross, Paul C

    1980-01-01

    Pedagogical classic and essential reference focuses on mathematics of detailed vibrational analyses of polyatomic molecules, advancing from application of wave mechanics to potential functions and methods of solving secular determinant.

  12. Bio-functions and molecular carbohydrate structure association study in forage with different source origins revealed using non-destructive vibrational molecular spectroscopy techniques

    Science.gov (United States)

    Ji, Cuiying; Zhang, Xuewei; Yan, Xiaogang; Mostafizar Rahman, M.; Prates, Luciana L.; Yu, Peiqiang

    2017-08-01

    The objectives of this study were to: 1) investigate forage carbohydrate molecular structure profiles; 2) bio-functions in terms of CHO rumen degradation characteristics and hourly effective degradation ratio of N to OM (HEDN/OM), and 3) quantify interactive association between molecular structures, bio-functions and nutrient availability. The vibrational molecular spectroscopy was applied to investigate the structure feature on a molecular basis. Two sourced-origin alfalfa forages were used as modeled forages. The results showed that the carbohydrate molecular structure profiles were highly linked to the bio-functions in terms of rumen degradation characteristics and hourly effective degradation ratio. The molecular spectroscopic technique can be used to detect forage carbohydrate structure features on a molecular basis and can be used to study interactive association between forage molecular structure and bio-functions.

  13. Bio-functions and molecular carbohydrate structure association study in forage with different source origins revealed using non-destructive vibrational molecular spectroscopy techniques.

    Science.gov (United States)

    Ji, Cuiying; Zhang, Xuewei; Yan, Xiaogang; Mostafizar Rahman, M; Prates, Luciana L; Yu, Peiqiang

    2017-08-05

    The objectives of this study were to: 1) investigate forage carbohydrate molecular structure profiles; 2) bio-functions in terms of CHO rumen degradation characteristics and hourly effective degradation ratio of N to OM (HEDN/OM), and 3) quantify interactive association between molecular structures, bio-functions and nutrient availability. The vibrational molecular spectroscopy was applied to investigate the structure feature on a molecular basis. Two sourced-origin alfalfa forages were used as modeled forages. The results showed that the carbohydrate molecular structure profiles were highly linked to the bio-functions in terms of rumen degradation characteristics and hourly effective degradation ratio. The molecular spectroscopic technique can be used to detect forage carbohydrate structure features on a molecular basis and can be used to study interactive association between forage molecular structure and bio-functions. Copyright © 2017 Elsevier B.V. All rights reserved.

  14. Genetic and Environmental Basis in Phenotype Correlation Between Physical Function and Cognition in Aging Chinese Twins.

    Science.gov (United States)

    Xu, Chunsheng; Zhang, Dongfeng; Tian, Xiaocao; Wu, Yili; Pang, Zengchang; Li, Shuxia; Tan, Qihua

    2017-02-01

    Although the correlation between cognition and physical function has been well studied in the general population, the genetic and environmental nature of the correlation has been rarely investigated. We conducted a classical twin analysis on cognitive and physical function, including forced expiratory volume in one second (FEV1), forced vital capacity (FVC), handgrip strength, five-times-sit-to-stand test (FTSST), near visual acuity, and number of teeth lost in 379 complete twin pairs. Bivariate twin models were fitted to estimate the genetic and environmental correlation between physical and cognitive function. Bivariate analysis showed mildly positively genetic correlations between cognition and FEV1, r G = 0.23 [95% CI: 0.03, 0.62], as well as FVC, r G = 0.35 [95% CI: 0.06, 1.00]. We found that FTSST and cognition presented very high common environmental correlation, r C = -1.00 [95% CI: -1.00, -0.57], and low but significant unique environmental correlation, r E = -0.11 [95% CI: -0.22, -0.01], all in the negative direction. Meanwhile, near visual acuity and cognition also showed unique environmental correlation, r E = 0.16 [95% CI: 0.03, 0.27]. We found no significantly genetic correlation for cognition with handgrip strength, FTSST, near visual acuity, and number of teeth lost. Cognitive function was genetically related to pulmonary function. The FTSST and cognition shared almost the same common environmental factors but only part of the unique environmental factors, both with negative correlation. In contrast, near visual acuity and cognition may positively share part of the unique environmental factors.

  15. Influence of the exchange and correlation functional on the structure of amorphous InSb and In{sub 3}SbTe{sub 2} compounds

    Energy Technology Data Exchange (ETDEWEB)

    Gabardi, Silvia; Caravati, Sebastiano; Bernasconi, Marco, E-mail: marco.bernasconi@mater.unimib.it [Dipartimento di Scienza dei Materiali, Università di Milano-Bicocca, Via R. Cozzi 55, I-20125 Milano (Italy); Los, Jan H.; Kühne, Thomas D. [Institute of Physical Chemistry and Center for Computational Sciences, Johannes Gutenberg University Mainz, Staudinger Weg 7, D-55128 Mainz (Germany)

    2016-05-28

    We have investigated the structural, vibrational, and electronic properties of the amorphous phase of InSb and In{sub 3}SbTe{sub 2} compounds of interest for applications in phase change non-volatile memories. Models of the amorphous phase have been generated by quenching from the melt by molecular dynamics simulations based on density functional theory. In particular, we have studied the dependence of the structural properties on the choice of the exchange-correlation functional. It turns out that the use of the Becke-Lee-Yang-Parr functional provides models with a much larger fraction of In atoms in a tetrahedral bonding geometry with respect to previous results obtained with the most commonly used Perdew-Becke-Ernzerhof functional. This outcome is at odd with the properties of Ge{sub 2}Sb{sub 2}Te{sub 5} phase change compound for which the two exchange-correlation functionals yield very similar results on the structure of the amorphous phase.

  16. Neural Correlates of Visual Perceptual Expertise: Evidence from Cognitive Neuroscience Using Functional Neuroimaging

    Science.gov (United States)

    Gegenfurtner, Andreas; Kok, Ellen M.; van Geel, Koos; de Bruin, Anique B. H.; Sorger, Bettina

    2017-01-01

    Functional neuroimaging is a useful approach to study the neural correlates of visual perceptual expertise. The purpose of this paper is to review the functional-neuroimaging methods that have been implemented in previous research in this context. First, we will discuss research questions typically addressed in visual expertise research. Second,…

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

    Science.gov (United States)

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

    2009-01-01

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

  18. Renormalization group improved computation of correlation functions in theories with nontrivial phase diagram

    DEFF Research Database (Denmark)

    Codello, Alessandro; Tonero, Alberto

    2016-01-01

    We present a simple and consistent way to compute correlation functions in interacting theories with nontrivial phase diagram. As an example we show how to consistently compute the four-point function in three dimensional Z2-scalar theories. The idea is to perform the path integral by weighting...

  19. Clinical correlates of painful diabetic neuropathy and relationship of neuropathic pain with sensorimotor and autonomic nerve function.

    Science.gov (United States)

    Spallone, Vincenza; Morganti, Roberto; D'Amato, Cinzia; Cacciotti, Laura; Fedele, Tiziana; Maiello, Maria R; Marfia, Girolama

    2011-02-01

    This study investigated the clinical correlates of painful diabetic polyneuropathy (PDPN) and the relationship of neuropathic pain with sensorimotor and autonomic nerve function. Seventy-eight diabetic patients with PDPN (PDPN(+)), 57 with non-painful diabetic polyneuropathy (DPN(+)), and 56 without diabetic polyneuropathy (DPN(-)) were prospectively studied. Autonomic neuropathy, neuropathic symptoms and signs, vibration perception threshold, and neuropathic pain were assessed using 4 cardiovascular tests, scoring systems for symptoms and signs (Michigan Diabetic Neuropathy Score, MDNS), Biothesiometer, and a numerical rating scale. Compared to DPN(+), PDPN(+) patients displayed higher BMI (P=0.0043), waist circumference (P=0.0057), neuropathy symptom score (Pbody mass index (BMI), abdominal obesity, diabetes type, diabetes duration, HbA1c, blood pressure, triglycerides, smoking, peripheral arterial disease, Valsalva ratio and MDNS as the independent variables, BMI (OR 1.22, P=0.0012) and MDNS (OR 1.27, P=0.0005) were significantly and independently associated with PDPN. In a multivariate regression analysis including as independent variables also sex, age, diabetes type, diabetes duration and Valsalva ratio, 24-h pain score was significantly related to neuropathy symptom score (P=0.0011), MDNS (P=0.0158), and 10g monofilament (P=0.018). BMI and sensorimotor deficits were the main determinants of PDPN and, as a novel finding, neuropathic pain intensity was related to the degree of neuropathy deficits. Thus, some peculiarity exists in metabolic correlates of diabetic neuropathic pain compared to insensate neuropathy but painfulness can still coexist with insensitivity. Copyright © 2010 European Federation of International Association for the Study of Pain Chapters. Published by Elsevier Ltd. All rights reserved.

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

    Science.gov (United States)

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

    2016-09-16

    Exotic phases of matter can emerge from strong correlations in quantum many-body systems. Quantum gas microscopy affords the opportunity to study these correlations with unprecedented detail. Here, we report site-resolved observations of antiferromagnetic correlations in a two-dimensional, Hubbard-regime optical lattice and demonstrate the ability to measure the spin-correlation function over any distance. We measure the in situ distributions of the particle density and magnetic correlations, extract thermodynamic quantities from comparisons to theory, and observe statistically significant correlations over three lattice sites. The temperatures that we reach approach the limits of available numerical simulations. The direct access to many-body physics at the single-particle level demonstrated by our results will further our understanding of how the interplay of motion and magnetism gives rise to new states of matter. Copyright © 2016, American Association for the Advancement of Science.

  1. Total and Direct Correlation Function Integrals from Molecular Simulation of Binary Systems

    DEFF Research Database (Denmark)

    Wedberg, Nils Hejle Rasmus Ingemar; O’Connell, John P.; Peters, Günther H.J.

    2011-01-01

    The possibility for obtaining derivative properties for mixtures from integrals of spatial total and direct correlation functions obtained from molecular dynamics simulations is explored. Theoretically well-supported methods are examined to extend simulation radial distribution functions to long...... are consistent with an excess Helmholtz energy model fitted to available simulations. In addition, simulations of water/methanol and water/t-butanol mixtures have been carried out. The method yields results for partial molar volumes, activity coefficient derivatives, and individual correlation function integrals...

  2. Role of the Pair Correlation Function in the Dynamical Transition Predicted by Mode Coupling Theory.

    Science.gov (United States)

    Nandi, Manoj Kumar; Banerjee, Atreyee; Dasgupta, Chandan; Bhattacharyya, Sarika Maitra

    2017-12-29

    In a recent study, we have found that for a large number of systems the configurational entropy at the pair level S_{c2}, which is primarily determined by the pair correlation function, vanishes at the dynamical transition temperature T_{c}. Thus, it appears that the information of the transition temperature is embedded in the structure of the liquid. In order to investigate this, we describe the dynamics of the system at the mean field level and, using the concepts of the dynamical density functional theory, show that the dynamical transition temperature depends only on the pair correlation function. Thus, this theory is similar in spirit to the microscopic mode coupling theory (MCT). However, unlike microscopic MCT, which predicts a very high transition temperature, the present theory predicts a transition temperature that is similar to T_{c}. This implies that the information of the dynamical transition temperature is embedded in the pair correlation function.

  3. Role of the Pair Correlation Function in the Dynamical Transition Predicted by Mode Coupling Theory

    Science.gov (United States)

    Nandi, Manoj Kumar; Banerjee, Atreyee; Dasgupta, Chandan; Bhattacharyya, Sarika Maitra

    2017-12-01

    In a recent study, we have found that for a large number of systems the configurational entropy at the pair level Sc 2, which is primarily determined by the pair correlation function, vanishes at the dynamical transition temperature Tc. Thus, it appears that the information of the transition temperature is embedded in the structure of the liquid. In order to investigate this, we describe the dynamics of the system at the mean field level and, using the concepts of the dynamical density functional theory, show that the dynamical transition temperature depends only on the pair correlation function. Thus, this theory is similar in spirit to the microscopic mode coupling theory (MCT). However, unlike microscopic MCT, which predicts a very high transition temperature, the present theory predicts a transition temperature that is similar to Tc. This implies that the information of the dynamical transition temperature is embedded in the pair correlation function.

  4. Parental reflective functioning and the neural correlates of processing infant affective cues.

    Science.gov (United States)

    Rutherford, Helena J V; Maupin, Angela N; Landi, Nicole; Potenza, Marc N; Mayes, Linda C

    2017-10-01

    Parental reflective functioning refers to the capacity for a parent to understand their own and their infant's mental states, and how these mental states relate to behavior. Higher levels of parental reflective functioning may be associated with greater sensitivity to infant emotional signals in fostering adaptive and responsive caregiving. We investigated this hypothesis by examining associations between parental reflective functioning and neural correlates of infant face and cry perception using event-related potentials (ERPs) in a sample of recent mothers. We found both early and late ERPs were associated with different components of reflective functioning. These findings suggest that parental reflective functioning may be associated with the neural correlates of infant cue perception and further support the value of enhancing reflective functioning as a mechanism in parenting intervention programs.

  5. Vibrating minds

    CERN Document Server

    2009-01-01

    Ed Witten is one of the leading scientists in the field of string theory, the theory that describes elementary particles as vibrating strings. This week he leaves CERN after having spent a few months here on sabbatical. His wish is that the LHC will unveil supersymmetry.

  6. Calculation of Vibrational Spectra of Coordinated Perchlorate Ion in Dipolar Aprotic Solvents

    Science.gov (United States)

    Mikhailov, G. P.

    2014-09-01

    The vibrational spectrum of perchlorate ion coordinated to Li+, Na+, and Mg2+ cations in dipolar aprotic solvents (DAS) was studied using Hartree-Fock methods not taking into account (RHF) and accounting partially for electron correlation (MP2) and B3LYP density functional theory within the polarized continuum model (PCM). Experimental and calculated spectrum-structure correlations for coordinated perchlorate-ion complexes in DAS were analyzed. It was found that the best fi t of the experimental and calculated vibrational spectra was achieved by taking into account the electron correlation and non-specific solvation.

  7. Functional and nutritional status correlation in elderly patients with hip fracture

    OpenAIRE

    Gonzalo Ramón González González; Francisco Javier López Esqueda

    2012-01-01

    Introduction: Hip fractures in elderly patients are related to several factors, among which nutrition and functionality stand out. The presence of alterations in the nutritional state has been related directly with the functional state. Objective: To determine the previous functional state of the patient with a hip fracture, the nutritional state at the moment of admittance and the correlation between both parameters as risk factors for the fracture. Materials and methods: 78 elderly patients...

  8. Energy Finite Element Analysis for Computing the High Frequency Vibration of the Aluminum Testbed Cylinder and Correlating the Results to Test Data

    Science.gov (United States)

    Vlahopoulos, Nickolas

    2005-01-01

    The Energy Finite Element Analysis (EFEA) is a finite element based computational method for high frequency vibration and acoustic analysis. The EFEA solves with finite elements governing differential equations for energy variables. These equations are developed from wave equations. Recently, an EFEA method for computing high frequency vibration of structures either in vacuum or in contact with a dense fluid has been presented. The presence of fluid loading has been considered through added mass and radiation damping. The EFEA developments were validated by comparing EFEA results to solutions obtained by very dense conventional finite element models and solutions from classical techniques such as statistical energy analysis (SEA) and the modal decomposition method for bodies of revolution. EFEA results have also been compared favorably with test data for the vibration and the radiated noise generated by a large scale submersible vehicle. The primary variable in EFEA is defined as the time averaged over a period and space averaged over a wavelength energy density. A joint matrix computed from the power transmission coefficients is utilized for coupling the energy density variables across any discontinuities, such as change of plate thickness, plate/stiffener junctions etc. When considering the high frequency vibration of a periodically stiffened plate or cylinder, the flexural wavelength is smaller than the interval length between two periodic stiffeners, therefore the stiffener stiffness can not be smeared by computing an equivalent rigidity for the plate or cylinder. The periodic stiffeners must be regarded as coupling components between periodic units. In this paper, Periodic Structure (PS) theory is utilized for computing the coupling joint matrix and for accounting for the periodicity characteristics.

  9. Functional derivatives of meta-generalized gradient approximation (meta-GGA) type exchange-correlation density functionals

    Science.gov (United States)

    Zahariev, F.; Leang, S. S.; Gordon, Mark S.

    2013-06-01

    Meta-generalized gradient approximation (meta-GGA) exchange-correlation density functionals depend on the Kohn-Sham (KS) orbitals through the kinetic energy density. The KS orbitals in turn depend functionally on the electron density. However, the functional dependence of the KS orbitals is indirect, i.e., not given by an explicit expression, and the computation of analytic functional derivatives of meta-GGA functionals with respect to the density imposes a challenge. The practical solution used in many computer implementations of meta-GGA density functionals for ground-state calculations is abstracted and generalized to a class of density functionals that is broader than meta-GGAs and to any order of functional differentiation. Importantly, the TDDFT working equations for meta-GGA density functionals are presented here for the first time, together with the technical details of their computer implementation. The analysis presented here also uncovers the implicit assumptions in the practical solution to computing functional derivatives of meta-GGA density functionals. The connection between the approximation that is invoked in taking functional derivatives of density functionals, the non-uniqueness with respect to the KS orbitals, and the non-locality of the resultant potential is also discussed.

  10. Volumetric correlates of cognitive functioning in nondemented patients with Parkinson's disease.

    Science.gov (United States)

    Filoteo, J Vincent; Reed, Jason D; Litvan, Irene; Harrington, Deborah L

    2014-03-01

    A challenge in Parkinson's disease (PD) is to identify biomarkers of early cognitive change because functioning in some domains may be more prognostic of dementia. Few studies have investigated whether structural magnetic resonance imaging (MRI) correlates in a regionally specific manner with functioning in different cognitive domains. The aim of this study was to identify neuroanatomical correlates of executive functioning, memory, and visual cognition in PD without dementia. 3T MRI was conducted in 51 PD patients and 39 control participants. Brain volumes were measured in structures comprising the frontostriatal cognitive-control system, the medial temporal memory system, the ventral object-based system, and the dorsal spatial-based system. Measures of executive functioning (Stroop Test; Letter Fluency), memory (California Verbal Learning Test), visuospatial cognition (Judgment of Line Orientation), and visuoconstruction (Pentagon Copy) were correlated with volumes comprising each system. Poorer executive functioning largely correlated with decreased frontostriatal volumes. Poorer memory correlated with decreased volumes in all medial temporal regions, but also with frontostriatal volumes. Poorer visuospatial cognition correlated with decreased volumes in the object-based system, whereas poorer visuoconstruction correlated with decreased frontal and object-based system volumes. These relationships were nonsignificant in the control group. This is the first study to demonstrate that subtle changes in multiple cognitive domains in PD without dementia correlate with regional volumes in specific systems implicated in the development of cognitive impairment. The findings suggest that structural MRI holds promise as a marker of early changes in different brain systems, some of which may predict future cognitive deterioration. © 2013 International Parkinson and Movement Disorder Society.

  11. [Correlations Between Joint Proprioception, Muscle Strength, and Functional Ability in Patients with Knee Osteoarthritis].

    Science.gov (United States)

    Chen, Yoa; Yu, Yong; He, Cheng-qi

    2015-11-01

    To establish correlations between joint proprioception, muscle flexion and extension peak torque, and functional ability in patients with knee osteoarthritis (OA). Fifty-six patients with symptomatic knee OA were recruited in this study. Both proprioceptive acuity and muscle strength were measured using the isomed-2000 isokinetic dynamometer. Proprioceptive acuity was evaluated by establishing the joint motion detection threshold (JMDT). Muscle strength was evaluated by Max torque (Nm) and Max torque/weight (Nm/ kg). Functional ability was assessed by the Western Ontario and McMaster Universities Osteoarthritis Index physical function (WOMAC-PF) questionnaire. Correlational analyses were performed between proprioception, muscle strength, and functional ability. A multiple stepwise regression model was established, with WOMAC-PF as dependent variable and patient age, body mass index (BMI), visual analogue scale (VAS)-score, mean grade for Kellgren-Lawrance of both knees, mean strength for quadriceps and hamstring muscles of both knees, and mean JMDT of both knees as independent variables. Poor proprioception (high JMDT) was negatively correlated with muscle strength (Pproprioception (high JMDT) and joint pain (WOMAC pain score), and between knee proprioception (high JMDT) and joint stiffness (WOMAC stiffness score). Poor proprioception (high JMDT) was correlated with limitation in functional ability (WOMAC physical function score r=0.659, Pproprioception is associated with poor muscle strength and limitation in functional ability. Patients with symptomatic OA of knees commonly endure with moderate to considerable dysfunction, which is associated with poor proprioception (high JMDT) and high VAS-scale score.

  12. Calculating the n-point correlation function with general and efficient python code

    Science.gov (United States)

    Genier, Fred; Bellis, Matthew

    2018-01-01

    There are multiple approaches to understanding the evolution of large-scale structure in our universe and with it the role of baryonic matter, dark matter, and dark energy at different points in history. One approach is to calculate the n-point correlation function estimator for galaxy distributions, sometimes choosing a particular type of galaxy, such as luminous red galaxies. The standard way to calculate these estimators is with pair counts (for the 2-point correlation function) and with triplet counts (for the 3-point correlation function). These are O(n2) and O(n3) problems, respectively and with the number of galaxies that will be characterized in future surveys, having efficient and general code will be of increasing importance. Here we show a proof-of-principle approach to the 2-point correlation function that relies on pre-calculating galaxy locations in coarse “voxels”, thereby reducing the total number of necessary calculations. The code is written in python, making it easily accessible and extensible and is open-sourced to the community. Basic results and performance tests using SDSS/BOSS data will be shown and we discuss the application of this approach to the 3-point correlation function.

  13. Correlations between Sportsmen’s Morpho-Functional Measurements and Voice Acoustic Variables

    Directory of Open Access Journals (Sweden)

    Rexhepi Agron M.

    2016-12-01

    Full Text Available Purpose. Since human voice characteristics are specific to each individual, numerous anthropological studies have been oriented to find significant relationships between voice and morpho-functional features. The goal of this study was to identify the correlation between seven morpho-functional variables and six voice acoustic parameters in sportsmen. Methods. Following the protocols of the International Biological Program, seven morpho-functional variables and six voice acoustic parameters have been measured in 88 male professional athletes from Kosovo, aged 17-35 years, during the period of April-October 2013. The statistical analysis was accomplished through the SPSS program, version 20. The obtained data were analysed through descriptive parameters and with Spearman’s method of correlation analysis. Results. Spearman’s method of correlation showed significant negative correlations (R = -0.215 to -0.613; p = 0.05 between three voice acoustic variables of the fundamental frequency of the voice sample (Mean, Minimum, and Maximum Pitch and six morpho-functional measures (Body Height, Body Weight, Margaria-Kalamen Power Test, Sargent Jump Test, Pull-up Test, and VO2max.abs. Conclusions. The significant correlations imply that the people with higher stature have longer vocal cords and a lower voice. These results encourage investigations on predicting sportsmen’s functional abilities on the basis of their voice acoustic parameters.

  14. Using correlation functions to describe complex multi-phase porous media structures

    Science.gov (United States)

    Karsanina, Marina; Sizonenko, Timofey; Korost, Dmitry; Gerke, Kirill

    2017-04-01

    Multi-scale flow and transport modelling relies on multi-scale image/property fusion techniques. Previusly we have rigorously addressed binary porous media description and stochastic reconstruction problems. However, numerous porous media have more than two, usually solids and pores, phases, e.g., clays, organic, heavy minerals and such. In this contribution we develop efficient approaches to utilize correlation functions to describe such muti-phase soil and rock structures using large sets of cluster, linear and probability functions, including cross-correlations. The approach is tested on numerous 3D images, which were segmented into 3 and more relevant phases. It is shown that multi-phase correlation functions are potentially a very powerful tool to describe any type of porous media at hand and this study also provides a basis for multi-phase stochastic reconstruction techniques, necessary for multi-phase image fusion to obtain large 3D images of hierarchical porous media based on, for example, macro and micro X-ray tomography scans and FIB/BIB-SEM and SEM. References: 1) Karsanina, M.V., Gerke, K.M., Skvortsova, E.B. and Mallants, D. (2015) Universal spatial correlation functions for describing and reconstructing soil microstructure. PLoS ONE 10(5), e0126515. 2) Gerke, K. M., & Karsanina, M. V. (2015). Improving stochastic reconstructions by weighting correlation functions in an objective function. EPL (Europhysics Letters),111(5), 56002. 3) Gerke, K. M., Karsanina, M. V., Vasilyev, R. V., & Mallants, D. (2014). Improving pattern reconstruction using directional correlation functions. EPL (Europhysics Letters), 106(6), 66002. 4) Gerke, K.M., Karsanina, M. V, Mallants, D., 2015. Universal Stochastic Multiscale Image Fusion: An Example Application for Shale Rock. Sci. Rep. 5, 15880. doi:10.1038/srep15880

  15. Analysis of cracked RC beams under vibration

    Science.gov (United States)

    Capozucca, R.; Magagnini, E.

    2017-05-01

    Among the methods of monitoring of integrity, vibration analysis is more convenient as non-destructive testing (NDT) method. Many aspects regarding the vibration monitoring of the structural integrity of damaged RC elements have not been completely analysed in literature. The correlation between the development of the crack pattern on concrete surface under bending loadings, as well as the width and depth of cracks, and the variation of dynamic parameters on a structural element is an important aspects that has to be more investigated. This paper deals with cracked RC beams controlled by NDT based on natural vibration, which may be correlated to damage degree due to cracking of concrete under severe state of loading. An experimental investigation on the assessment of RC beams in different scale under loading has been done through dynamic tests in different constraint conditions of edges measuring frequency values and frequency variation. Envelope of Frequency Response Functions (FRFs) are shown and the changes of natural frequency values are related to the damage degree of RC beams subjected to static tests. Finally, a comparison between data obtained by finite element analysis and experimental results is shown.

  16. Calculation of spin-densities within the context of density functional theory. The crucial role of the correlation functional

    NARCIS (Netherlands)

    Filatov, M; Cremer, D

    2005-01-01

    It is demonstrated that the LYP correlation functional is not suited to be used for the calculation of electron spin resonance hyperfine structure (HFS) constants, nuclear magnetic resonance spin-spin coupling constants, magnetic, shieldings and other properties that require a balanced account of

  17. Genetic and Environmental Basis in Phenotype Correlation Between Physical Function and Cognition in Aging Chinese Twins

    DEFF Research Database (Denmark)

    Xu, Chunsheng; Zhang, Dongfeng; Tian, Xiaocao

    2017-01-01

    .00, -0.57], and low but significant unique environmental correlation, r E = -0.11 [95% CI: -0.22, -0.01], all in the negative direction. Meanwhile, near visual acuity and cognition also showed unique environmental correlation, r E = 0.16 [95% CI: 0.03, 0.27]. We found no significantly genetic correlation...... for cognition with handgrip strength, FTSST, near visual acuity, and number of teeth lost. Cognitive function was genetically related to pulmonary function. The FTSST and cognition shared almost the same common environmental factors but only part of the unique environmental factors, both with negative...... correlation. In contrast, near visual acuity and cognition may positively share part of the unique environmental factors....

  18. Fukui Function Analysis and Optical, Electronic, and Vibrational Properties of Tetrahydrofuran and Its Derivatives: A Complete Quantum Chemical Study

    Directory of Open Access Journals (Sweden)

    Apoorva Dwivedi

    2015-01-01

    Full Text Available The spectroscopic, optical, and electronic properties of tetrahydrofuran and its derivatives were investigated by FTIR techniques. We have done a comparative study of tetrahydrofuran and its derivatives with B3LYP with 6-311 G (d, p as the basis set. Here we have done a relative study of their structures, vibrational assignments, and thermal, electronic, and optical properties of ttetrahydrofuran and its derivatives. We have plotted frontier orbital HOMO-LUMO surfaces and molecular electrostatic potential surfaces to explain the reactive nature of tetrahydrofuran and its derivatives.

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

    Science.gov (United States)

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

    2014-03-01

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

  20. Advanced correlation grid: Analysis and visualisation of functional connectivity among multiple spike trains.

    Science.gov (United States)

    Masud, Mohammad Shahed; Borisyuk, Roman; Stuart, Liz

    2017-07-15

    This study analyses multiple spike trains (MST) data, defines its functional connectivity and subsequently visualises an accurate diagram of connections. This is a challenging problem. For example, it is difficult to distinguish the common input and the direct functional connection of two spike trains. The new method presented in this paper is based on the traditional pairwise cross-correlation function (CCF) and a new combination of statistical techniques. First, the CCF is used to create the Advanced Correlation Grid (ACG) correlation where both the significant peak of the CCF and the corresponding time delay are used for detailed analysis of connectivity. Second, these two features of functional connectivity are used to classify connections. Finally, the visualization technique is used to represent the topology of functional connections. Examples are presented in the paper to demonstrate the new Advanced Correlation Grid method and to show how it enables discrimination between (i) influence from one spike train to another through an intermediate spike train and (ii) influence from one common spike train to another pair of analysed spike trains. The ACG method enables scientists to automatically distinguish between direct connections from spurious connections such as common source connection and indirect connection whereas existing methods require in-depth analysis to identify such connections. The ACG is a new and effective method for studying functional connectivity of multiple spike trains. This method can identify accurately all the direct connections and can distinguish common source and indirect connections automatically. Copyright © 2017 Elsevier B.V. All rights reserved.

  1. Correlation between Pulmonary Function Indexes and Survival Time 
in Patients with Advanced Lung Cancer

    Directory of Open Access Journals (Sweden)

    Hui GE

    2013-07-01

    Full Text Available Background and objective To those patients with advanced lung cancer, the ultimate objective is to improve the curative effect and quality of life, lung function indexes are an important factor. We investigate the change of lung function and the relationship between pulmonary function indexs and survival time in patients with advanced lung cancer. Methods Lung function was detected in 59 cases with lung cancer and 63 normal controls. The relationship between pulmonary function indexs and survival time was analyzed. Results There was significant difference in ventilation function and diffusing capacity between in lung cancer group and control group. Vital capacity (VC, forced expiratory volume in one second (FEV1, forced vital capacity (FVC, peak expiratory flow (PEF, peak expiratory flow% (PEF%, maximal ventilatory volume (MVV were positively correlated with survival time in patients with advanced lung cancer (r=0.29, 0.28, 0.28, 0.27, 0.26, 0.28, P<0.05, residual volume/total lung capacity was negatively correlated with survival time (r=-0.31, P<0.05. Conclusion The lung function decreases in the patients with lung cancer. VC, FEV1, FVC, PEF, PEF%, MVV, residual volume/total lung capacity were correlated with survival time in patients with advanced lung cancer. The pulmonary function indexs were important marker of prognosis in patients with lung cancer.

  2. Vibration and buckling of orthotropic functionally graded micro-plates on the basis of a re-modified couple stress theory

    Directory of Open Access Journals (Sweden)

    Zihao Yang

    Full Text Available A microstructure-dependent model for the free vibration and buckling analysis of an orthotropic functionally graded micro-plate was proposed on the basis of a re-modified couple stress theory. The macro- and microscopic anisotropy were simultaneously taken into account by introducing two material length scale parameters. The material attributes were assumed to vary continuously through the thickness direction by a power law. The governing equations and corresponding boundary conditions were derived through Hamilton’s principle. The Navier method was used to calculate the natural frequencies and buckling loads of a simply supported micro-plate. The numerical results indicated that the present model predicts higher natural frequencies and critical buckling loads than the classical model, particular when the geometric size of the micro-plates is comparable to the material length scale parameters, i.e., the scale effect is well represented. The scale effect becomes more noticeable as the material length scale parameters increase, the anisotropy weaken or the power law index increases, and vice versa. Keywords: Free vibration, Buckling, Functionally graded materials, Modified couple stress theory, Scale effect

  3. Pulmonary function tests correlated with thoracic volumes in adolescent idiopathic scoliosis.

    Science.gov (United States)

    Ledonio, Charles Gerald T; Rosenstein, Benjamin E; Johnston, Charles E; Regelmann, Warren E; Nuckley, David J; Polly, David W

    2017-01-01

    Scoliosis deformity has been linked with deleterious changes in the thoracic cavity that affect pulmonary function. The causal relationship between spinal deformity and pulmonary function has yet to be fully defined. It has been hypothesized that deformity correction improves pulmonary function by restoring both respiratory muscle efficiency and increasing the space available to the lungs. This research aims to correlate pulmonary function and thoracic volume before and after scoliosis correction. Retrospective correlational analysis between thoracic volume modeling from plain x-rays and pulmonary function tests was conducted. Adolescent idiopathic scoliosis patients enrolled in a multicenter database were sorted by pre-operative Total Lung Capacities (TLC) % predicted values from their Pulmonary Function Tests (PFT). Ten patients with the best and ten patients with the worst TLC values were included. Modeled thoracic volume and TLC values were compared before and 2 years after surgery. Scoliosis correction resulted in an increase in the thoracic volume for patients with the worst initial TLCs (11.7%) and those with the best initial TLCs (12.5%). The adolescents with the most severe pulmonary restriction prior to surgery strongly correlated with post-operative change in total lung capacity and thoracic volume (r2  = 0.839; p Scoliosis correction in adolescents was found to increase thoracic volume and is strongly correlated with improved TLC in cases with severe restrictive pulmonary function, but no correlation was found in cases with normal pulmonary function. © 2016 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 35:175-182, 2017. © 2016 Orthopaedic Research Society. Published by Wiley Periodicals, Inc.

  4. Approximate but accurate quantum dynamics from the Mori formalism: II. Equilibrium correlation functions

    CERN Document Server

    Montoya-Castillo, Andrés

    2016-01-01

    The ability to efficiently and accurately calculate equilibrium time correlation functions of many-body condensed phase quantum systems is one of the outstanding problems in theoretical chemistry. The Nakajima-Zwanzig-Mori formalism coupled to the self-consistent solution of the memory kernel has recently proven to be highly successful for the computation of nonequilibrium dynamical averages. Here, we extend this formalism to treat symmetrized equilibrium time correlation functions for the spin-boson model. Following the first paper in this series [A. Montoya-Castillo and D. R. Reichman, J. Chem. Phys. $\\bf{144}$, 184104 (2016)], we use a Dyson-type expansion of the projected propagator to obtain a self-consistent solution for the memory kernel that requires only the calculation of normally evolved auxiliary kernels. We employ the approximate mean-field Ehrenfest method to demonstrate the feasibility of this approach. Via comparison with numerically exact results for the correlation function $\\mathcal{C}_{zz}...

  5. The role of three-gluon correlation functions in the single spin asymmetry

    Directory of Open Access Journals (Sweden)

    Beppu Hiroo

    2015-01-01

    Full Text Available We study the twist-3 three-gluon contribution to the single spin asymmetry in the light-hadron production in pp collision in the framework of the collinear factorization. We derive the corresponding cross section formula in the leading order with respect to the QCD coupling constant. We also present a numerical calculation of the asymmetry at the RHIC energy, using a model for the three-gluon correlation functions suggested by the asymmetry for the D-meson production at RHIC. We found that the asymmetries for the light-hadron and the jet productions are very useful to constrain the magnitude and form of the correlation functions. Since the three-gluon correlation functions shift the asymmetry for all kinds of hadrons in the same direction, it is unlikely that they become a main source of the asymmetry.

  6. The use of copula functions for predictive analysis of correlations between extreme storm tides

    Science.gov (United States)

    Domino, Krzysztof; Błachowicz, Tomasz; Ciupak, Maurycy

    2014-11-01

    In this paper we present a method used in quantitative description of weakly predictable hydrological, extreme events at inland sea. Investigations for correlations between variations of individual measuring points, employing combined statistical methods, were carried out. As a main tool for this analysis we used a two-dimensional copula function sensitive for correlated extreme effects. Additionally, a new proposed methodology, based on Detrended Fluctuations Analysis (DFA) and Anomalous Diffusion (AD), was used for the prediction of negative and positive auto-correlations and associated optimum choice of copula functions. As a practical example we analysed maximum storm tides data recorded at five spatially separated places at the Baltic Sea. For the analysis we used Gumbel, Clayton, and Frank copula functions and introduced the reversed Clayton copula. The application of our research model is associated with modelling the risk of high storm tides and possible storm flooding.

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

    Science.gov (United States)

    Casanova, David; Krylov, Anna I.

    2016-01-01

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

  8. Correlation between impulsivity and executive function in patients with Parkinson disease experiencing depression and anxiety symptoms.

    Science.gov (United States)

    Fonoff, Fernanda Colucci; Fonoff, Erich Talamoni; Barbosa, Egberto Reis; Quaranta, Thais; Machado, Rachael Brant; de Andrade, Daniel Ciampi; Teixeira, Manoel Jacobsen; Fuentes, Daniel

    2015-03-01

    Depression and anxiety are comorbidities often associated with Parkinson disease (PD). Recent studies debate on how affective disorders can influence the cognition of patients with PD. This study sought to investigate how depression and anxiety affect specific executive functions and impulsivity traits in these patients. Twenty-eight patients with advanced PD and 28 closely matched healthy volunteers (HV) were assessed for depressive and anxiety symptoms, impulsivity, executive function and control attention and behavioral response. Compared to the HV group, the PD group showed significantly higher perseverative responses and slowness to adapt to changes in environmental stimuli and longer reaction time for inter-stimulus interval change. Depression symptoms were significantly correlated to motor impulsivity score and total Barratt Impulsiveness Scale (BIS -11) score. Moreover, there was also significant correlation between anxiety symptoms and attentional impulsivity score and total BIS-11 score. Correlation analysis between impulsivity and control attention indicated a positive correlation in commission and a negative correlation in reaction time and detectability in the PD group. The present results suggest that depression and anxiety were highly correlated to impulsivity but not to executive functions changes in these PD patients. © The Author(s) 2014.

  9. Impact parameter and source selected correlation functions with a 4{pi} multidetector

    Energy Technology Data Exchange (ETDEWEB)

    Gourio, D.; Reposeur, T.; Assenard, M.; Germain, M.; Ardouin, D.; Eudes, P.; Lautridou, P.; Laville, J.L.; Lebrun, C.; Metivier, V. [Centre National de la Recherche Scientifique, 44 - Nantes (France). Lab. de Physique Subatomique et des Technologies Associees] [and others

    1997-12-31

    For the first time in the domain of (light charged) particle interferometry in nuclear physics, a complete study of proton an deuteron correlation functions is presented with both impact parameter and emission source selections. The correlations were determined for the system {sup 129}Xe + {sup nat}Sn at 45 and 50 AMeV using the 4{pi} multidetector INDRA at GANIL as an event selector as well as a particle correlator. Very short emission times are found for all the selections indicating possible contributions from a fast and preequilibrium process. (author) 27 refs.

  10. Correlation of severity of sarcoidosis shown by chest CT with clinical and pulmonary functional findings

    Energy Technology Data Exchange (ETDEWEB)

    Toyoshima, Masami; Kaminou, Toshio; Yamada, Hisashi; Sekine, Hiroshi; Furukawa, Takashi; Matsui, Yasuo; Oritsu, Minoru (Japan Red Cross Medical Center, Tokyo (Japan)); Minaguchi, Kazuo; Onoyama, Yasuto

    1991-01-01

    For 39 patients with sarcoidosis, we evaluated the correlation of chest CT findings (granular shadows, nodular shadows, irregular enlargement of pulmonary vascular shadows, infiltrative shadows, reticular shadows, linear shadows, incresed density of lung field areas, and lymphadenopathy) with results of clinical and pulmonary function tests (PFTs). CT detected and delineated lung field involvement and lymphadenopathy better than Ga scanning. The severity of parenchymal changes on the CT scan was correlated with PFTs results for VC% and DLco%. The severity of lymphadenopathy on the CT scan was correlated with the serum levels of angiotensin converting enzyme and OKT4/OKT8 in bronchoalveolar lavage fluid. (author).

  11. Correlates of sexual function in male and female patients with multiple sclerosis.

    Science.gov (United States)

    Lew-Starowicz, Michal; Rola, Rafal

    2014-09-01

    Many factors have been suggested to contribute to sexual dysfunction (SD) in multiple sclerosis (MS) patients, but the research on their impact on sexual functioning (SF) and sexual quality of life (SQoL) remains scant. The aim of this study was to investigate correlates of SF and SQoL in MS patients, as well as possible gender differences. 204 MS patients were interviewed, completed the questionnaires, and underwent neurological assessment. Primary outcome measures included the International Index of Erectile Function, the Female Sexual Function Questionnaire, the Sexual Quality of Life Questionnaire, the Beck Depression Inventory, and the Expanded Disability Status Scale. The course and duration of the disease did not predict patients' SF. Negative correlations were found for brainstem symptoms with orgasmic function and overall satisfaction in men and between cognitive functioning and the partner domain in women. Interestingly, brainstem symptoms correlated positively with the arousal domain in women. More than half (52.1%) of patients fulfilled Beck Depression Inventory criteria for depression, and these patients showed more SD than nondepressive individuals. The strongest negative correlations with depressive symptoms were found for desire, erectile function, and overall satisfaction with sexual life in men and for orgasm and sexual enjoyment in women. Deterioration in particular domains of SF was clearly related with diminished SQoL. The main gender difference was a strong influence of decreased desire on SQoL in women and no such correlation in men. Negative assessment of the relationship with partner significantly affected all domains of SF and SQoL in MS women and the desire domain in MS men. Several correlates of SF in MS patients were found. The role of brainstem symptoms needs further investigation. Clinicians should pay close attention to depressive symptoms and relationship factors in MS patients who suffer from SD. © 2014 International Society for

  12. Modeling clinical outcome using multiple correlated functional biomarkers: A Bayesian approach.

    Science.gov (United States)

    Long, Qi; Zhang, Xiaoxi; Zhao, Yize; Johnson, Brent A; Bostick, Roberd M

    2016-04-01

    In some biomedical studies, biomarkers are measured repeatedly along some spatial structure or over time and are subject to measurement error. In these studies, it is often of interest to evaluate associations between a clinical endpoint and these biomarkers (also known as functional biomarkers). There are potentially two levels of correlation in such data, namely, between repeated measurements of a biomarker from the same subject and between multiple biomarkers from the same subject; none of the existing methods accounts for correlation between multiple functional biomarkers. We propose a Bayesian approach to model a clinical outcome of interest (e.g. risk for colorectal cancer) in the presence of multiple functional biomarkers while accounting for potential correlation. Our simulations show that the proposed approach achieves good performance in finite samples under various settings. In the presence of substantial or moderate correlation, the proposed approach outperforms an existing approach that does not account for correlation. The proposed approach is applied to a study of biomarkers of risk for colorectal neoplasms and our results show that the risk for colorectal cancer is associated with two functional biomarkers, APC and TGF-α, in particular, with their values in the region between the proliferating and differentiating zones of colorectal crypts. © The Author(s) 2012.

  13. Visualizing functional pathways in the human brain using correlation tensors and magnetic resonance imaging.

    Science.gov (United States)

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

    2016-01-01

    Functional magnetic resonance imaging usually detects changes in blood oxygenation level dependent (BOLD) signals from T2*-sensitive acquisitions, and is most effective in detecting activity in brain cortex which is irrigated by rich vasculature to meet high metabolic demands. We recently demonstrated that MRI signals from T2*-sensitive acquisitions in a resting state exhibit structure-specific temporal correlations along white matter tracts. In this report we validate our preliminary findings and introduce spatio-temporal functional correlation tensors to characterize the directional preferences of temporal correlations in MRI signals acquired at rest. The results bear a remarkable similarity to data obtained by diffusion tensor imaging but without any diffusion-encoding gradients. Just as in gray matter, temporal correlations in resting state signals may reflect intrinsic synchronizations of neural activity in white matter. Here we demonstrate that functional correlation tensors are able to visualize long range white matter tracts as well as short range sub-cortical fibers imaged at rest, and that evoked functional activities alter these structures and enhance the visualization of relevant neural circuitry. Furthermore, we explore the biophysical mechanisms underlying these phenomena by comparing pulse sequences, which suggest that white matter signal variations are consistent with hemodynamic (BOLD) changes associated with neural activity. These results suggest new ways to evaluate MRI signal changes within white matter. Copyright © 2015 Elsevier Inc. All rights reserved.

  14. Improved methods for Feynman path integral calculations and their application to calculate converged vibrational-rotational partition functions, free energies, enthalpies, entropies, and heat capacities for methane.

    Science.gov (United States)

    Mielke, Steven L; Truhlar, Donald G

    2015-01-28

    We present an improved version of our "path-by-path" enhanced same path extrapolation scheme for Feynman path integral (FPI) calculations that permits rapid convergence with discretization errors ranging from O(P(-6)) to O(P(-12)), where P is the number of path discretization points. We also present two extensions of our importance sampling and stratified sampling schemes for calculating vibrational-rotational partition functions by the FPI method. The first is the use of importance functions for dihedral angles between sets of generalized Jacobi coordinate vectors. The second is an extension of our stratification scheme to allow some strata to be defined based only on coordinate information while other strata are defined based on both the geometry and the energy of the centroid of the Feynman path. These enhanced methods are applied to calculate converged partition functions by FPI methods, and these results are compared to ones obtained earlier by vibrational configuration interaction (VCI) calculations, both calculations being for the Jordan-Gilbert potential energy surface. The earlier VCI calculations are found to agree well (within ∼1.5%) with the new benchmarks. The FPI partition functions presented here are estimated to be converged to within a 2σ statistical uncertainty of between 0.04% and 0.07% for the given potential energy surface for temperatures in the range 300-3000 K and are the most accurately converged partition functions for a given potential energy surface for any molecule with five or more atoms. We also tabulate free energies, enthalpies, entropies, and heat capacities.

  15. Computation and interpretation of vibrational spectra on the structure of Losartan using ab initio and Density Functional methods

    Science.gov (United States)

    Latha, B.; Gunasekaran, S.; Srinivasan, S.; Ramkumaar, G. R.

    2014-11-01

    The solid phase FTIR and FT-Raman spectra of Losartan have been recorded in the region 400-4000 cm-1. The spectra were interpreted in terms of fundamental modes, combination and overtone bands. The structure of the molecule was optimized and the structural characteristics were determined by Quantum chemical methods. The vibrational frequencies yield good agreement between observed and calculated values. The infrared and Raman spectra were also predicted from the calculated intensities. (1)H and (13)C NMR spectra were recorded and resonance chemical shifts of the molecule were calculated. UV-Visible spectrum of the compound was recorded in the region 200-600 nm and the electronic properties HOMO and LUMO energies calculated by TD-HF approach. NBO atomic charges of the molecules and second order perturbation theory analysis of Fock matrix also calculated and interpreted. The geometrical parameters, energies, harmonic vibrational frequencies, IR intensities, Raman intensities, and absorption wavelengths were compared with experimental and theoretical data of the molecule.

  16. A redshift distortion free correlation function at third order in the nonlinear regime

    OpenAIRE

    Meng, Kelai; Pan, Jun; Szapudi, Istvan; Feng, Longlong

    2010-01-01

    The zeroth-order component of the cosine expansion of the projected three-point correlation function is proposed for clustering analysis of cosmic large scale structure. These functions are third order statistics but can be measured similarly to the projected two-point correlations. Numerical experiments with N-body simulations indicate that the advocated statistics are redshift distortion free within 10% in the non-linear regime on scales ~0.2-10Mpc/h. Halo model prediction of the zeroth-ord...

  17. Full-waveform inversion of triplicated data using a normalized-correlation-coefficient-based misfit function

    Science.gov (United States)

    Tao, Kai; Grand, Stephen P.; Niu, Fenglin

    2017-09-01

    In seismic full-waveform inversion (FWI), the choice of misfit function determines what information in data is used and ultimately affects the resolution of the inverted images of the Earth's structure. Misfit functions based on traveltime have been successfully applied in global and regional tomographic studies. However, wave propagation through the upper mantle results in multiple phases arriving at a given receiver in a narrow time interval resulting in complicated waveforms that evolve with distance. To extract waveform information as well as traveltime, we use a misfit function based on the normalized correlation coefficient (CC). This misfit function is able to capture the waveform complexities in both phase and relative amplitude within the measurement window. It is also insensitive to absolute amplitude differences between modeled and recorded data, which avoids problems due to uncertainties in source magnitude, radiation pattern, receiver site effects or even miscalibrated instruments. These features make the misfit function based on normalized CC a good candidate to achieve high-resolution images of complex geological structures when interfering phases coexist in the measurement window, such as triplication waveforms. From synthetic tests, we show the advantages of this misfit function over the cross-correlation traveltime misfit function. Preliminary inversion of data from an earthquake in Northeast China images a sharper and stronger amplitude slab stagnant in the middle of the transition zone than FWI of cross-correlation traveltime.

  18. Application of maximin correlation analysis to classifying protein environments for function prediction.

    Science.gov (United States)

    Lee, Taehoon; Min, Hyeyoung; Kim, Seung Jean; Yoon, Sungroh

    2010-09-17

    More and more protein structures are being discovered, but most of these still have little functional information. Based on the assumption that structural resemblance would lead to functional similarity, researchers computationally compare a new structure with functionally annotated structures, for high-throughput function prediction. The effectiveness of this approach depends critically upon the quality of comparison. In particular, robust classification often becomes difficult when a function class is an aggregate of multiple subclasses, as is the case with protein annotations. For such multiple-subclass classification problems, an optimal method termed the maximin correlation analysis (MCA) was proposed. However, MCA has never been applied to automated protein function prediction although MCA can minimize the misclassification risk in the correlation-based nearest neighbor classification, thus increasing classification accuracy. In this article, we apply MCA to classifying three-dimensional protein local environment data derived from a subset of the protein data bank (PDB). In our framework, the MCA-based classifier outperformed the compared alternatives by 7-19% and 6-27% in terms of average sensitivity and specificity, respectively. Given that correlation-based similarity measures have been widely used for mining protein data, we expect that MCA would be employed to enhance other types of automated function prediction methods. Copyright © 2010 Elsevier Inc. All rights reserved.

  19. Correlation of apical fluid-regulating channel proteins with lung function in human COPD lungs.

    Science.gov (United States)

    Zhao, Runzhen; Liang, Xinrong; Zhao, Meimi; Liu, Shan-Lu; Huang, Yao; Idell, Steven; Li, Xiumin; Ji, Hong-Long

    2014-01-01

    Links between epithelial ion channels and chronic obstructive pulmonary diseases (COPD) are emerging through animal model and in vitro studies. However, clinical correlations between fluid-regulating channel proteins and lung function in COPD remain to be elucidated. To quantitatively measure epithelial sodium channels (ENaC), cystic fibrosis transmembrane conductance regulator (CFTR), and aquaporin 5 (AQP5) proteins in human COPD lungs and to analyze the correlation with declining lung function, quantitative western blots were used. Spearman tests were performed to identify correlations between channel proteins and lung function. The expression of α and β ENaC subunits was augmented and inversely associated with lung function. In contrast, both total and alveolar type I (ATI) and II (ATII)-specific CFTR proteins were reduced. The expression level of CFTR proteins was associated with FEV1 positively. Abundance of AQP5 proteins and extracellular superoxide dismutase (SOD3) was decreased and correlated with spirometry test results and gas exchange positively. Furthermore, these channel proteins were significantly associated with severity of disease. Our study demonstrates that expression of ENaC, AQP5, and CFTR proteins in human COPD lungs is quantitatively associated with lung function and severity of COPD. These apically located fluid-regulating channels may thereby serve as biomarkers and potent druggable targets of COPD.

  20. Correlation of apical fluid-regulating channel proteins with lung function in human COPD lungs.

    Directory of Open Access Journals (Sweden)

    Runzhen Zhao

    Full Text Available Links between epithelial ion channels and chronic obstructive pulmonary diseases (COPD are emerging through animal model and in vitro studies. However, clinical correlations between fluid-regulating channel proteins and lung function in COPD remain to be elucidated. To quantitatively measure epithelial sodium channels (ENaC, cystic fibrosis transmembrane conductance regulator (CFTR, and aquaporin 5 (AQP5 proteins in human COPD lungs and to analyze the correlation with declining lung function, quantitative western blots were used. Spearman tests were performed to identify correlations between channel proteins and lung function. The expression of α and β ENaC subunits was augmented and inversely associated with lung function. In contrast, both total and alveolar type I (ATI and II (ATII-specific CFTR proteins were reduced. The expression level of CFTR proteins was associated with FEV1 positively. Abundance of AQP5 proteins and extracellular superoxide dismutase (SOD3 was decreased and correlated with spirometry test results and gas exchange positively. Furthermore, these channel proteins were significantly associated with severity of disease. Our study demonstrates that expression of ENaC, AQP5, and CFTR proteins in human COPD lungs is quantitatively associated with lung function and severity of COPD. These apically located fluid-regulating channels may thereby serve as biomarkers and potent druggable targets of COPD.

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

    Energy Technology Data Exchange (ETDEWEB)

    Tao, Jianmin [Los Alamos National Laboratory; Perdew, John P [TULANE UNIV; Staroverov, Viktor N [UNIV OF WESTERN ONTARIO; Scuseria, Gustavo E [RICE UNIV

    2008-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Lineweaver, Charles Howe [Univ. of California, Berkeley, CA (United States). Space Sciences Lab.

    1994-08-01

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

  3. Coupled rotor/airframe vibration analysis

    Science.gov (United States)

    Sopher, R.; Studwell, R. E.; Cassarino, S.; Kottapalli, S. B. R.

    1982-01-01

    A coupled rotor/airframe vibration analysis developed as a design tool for predicting helicopter vibrations and a research tool to quantify the effects of structural properties, aerodynamic interactions, and vibration reduction devices on vehicle vibration levels is described. The analysis consists of a base program utilizing an impedance matching technique to represent the coupled rotor/airframe dynamics of the system supported by inputs from several external programs supplying sophisticated rotor and airframe aerodynamic and structural dynamic representation. The theoretical background, computer program capabilities and limited correlation results are presented in this report. Correlation results using scale model wind tunnel results show that the analysis can adequately predict trends of vibration variations with airspeed and higher harmonic control effects. Predictions of absolute values of vibration levels were found to be very sensitive to modal characteristics and results were not representative of measured values.

  4. A homogenization procedure for geometrically non-linear free vibration analysis of functionally graded annular plates with porosities, resting on elastic foundations

    Directory of Open Access Journals (Sweden)

    Lhoucine Boutahar

    2016-03-01

    Full Text Available Some Functionally Graded Materials contain pores due to the result of processing; this influences their elastic and mechanical properties. Therefore, it may be very useful to examine the vibration behavior of thin Functionally Graded Annular Plates Clamped at both edges including porosities. In the present study, the rule of mixture is modified to take into account the effect of porosity and to approximate the material properties assumed to be graded in the thickness direction of the examined annular plate. A semi-analytical model based on Hamilton’s principle and spectral analysis is adopted using a homogenization procedure to reduce the problem under consideration to that of an equivalent isotropic homogeneous annular plate. The problem is solved by a numerical iterative method. The effects of porosity, material property, and elastic foundations characteristics on the CCFGAP axisymmetric large deflection response are presented and discussed in detail.

  5. Nuclear velocity perturbation theory for vibrational circular dichroism: An approach based on the exact factorization of the electron-nuclear wave function

    CERN Document Server

    Scherrer, Arne; Sebastiani, Daniel; Gross, E K U; Vuilleumier, Rodolphe

    2015-01-01

    The nuclear velocity perturbation current-density theory (NVPT) for vibrational circular dichroism (VCD) is derived from the exact factorization of the electron-nuclear wave function. This new formalism offers an exact starting point to include correction terms to the Born-Oppenheimer (BO) form of the molecular wave function, similarly to the complete-adiabatic approximation. The corrections depend on a small parameter that, in a classical treatment of the nuclei, is identified as the nuclear velocity. Apart from proposing a rigorous basis for the NVPT, we show that the rotational strength, related to the intensity of the VCD signal, contain a new contribution beyond-BO that can be evaluated with the NVPT and that only arises when the exact factorization approach is employed. Numerical results are presented for chiral and non-chiral systems to test the validity of the approach.

  6. Temperature-dependent vibrational spectra and structure of liquid water from classical and quantum simulations with the MB-pol potential energy function.

    Science.gov (United States)

    Reddy, Sandeep K; Moberg, Daniel R; Straight, Shelby C; Paesani, Francesco

    2017-12-28

    The structure of liquid water as a function of temperature is investigated through the modeling of infrared and Raman spectra along with structural order parameters calculated from classical and quantum molecular dynamics simulations with the MB-pol many-body potential energy function. The magnitude of nuclear quantum effects is also monitored by comparing the vibrational spectra obtained from classical and centroid molecular dynamics, both in intensities and peak positions. The observed changes in spectral activities are shown to reflect changes in the underlying structure of the hydrogen-bond network and are found to be particularly sensitive to many-body effects in the representation of the electrostatic interactions. Overall, good agreement is found with the experimental spectra, which provides further evidence for the accuracy of MB-pol in predicting the properties of water.

  7. Temperature-dependent vibrational spectra and structure of liquid water from classical and quantum simulations with the MB-pol potential energy function

    Science.gov (United States)

    Reddy, Sandeep K.; Moberg, Daniel R.; Straight, Shelby C.; Paesani, Francesco

    2017-12-01

    The structure of liquid water as a function of temperature is investigated through the modeling of infrared and Raman spectra along with structural order parameters calculated from classical and quantum molecular dynamics simulations with the MB-pol many-body potential energy function. The magnitude of nuclear quantum effects is also monitored by comparing the vibrational spectra obtained from classical and centroid molecular dynamics, both in intensities and peak positions. The observed changes in spectral activities are shown to reflect changes in the underlying structure of the hydrogen-bond network and are found to be particularly sensitive to many-body effects in the representation of the electrostatic interactions. Overall, good agreement is found with the experimental spectra, which provides further evidence for the accuracy of MB-pol in predicting the properties of water.

  8. Reduced description of nonequilibrium processes and correlation functions. Divergences and non-analyticity

    Directory of Open Access Journals (Sweden)

    A.I.Sokolovsky

    2006-01-01

    Full Text Available A complete theory for investigation of time correlation functions is developed on the basis of the Bogolyubov reduced description method proceeding from his functional hypothesis. The problem of convergence in the theory of nonequilibrium processes and its relation to the non-analytic dependence of basic values of the theory on a small parameter of the perturbation theory are discussed. A natural regularization of integral equations of the theory is proposed. In the framework of a model of slow variables (hydrodynamics of a fluid, kinetics of a gas a generalized perturbation theory without divergencies is constructed corresponding to a partial summation in a usual perturbation theory. Properties of Green functions are discussed on the basis of resolvent formalism for the Liouville operator. A generalized Ernst and Dorfman theory is elaborated allowing to study the peculiarities of correlation and Green functions and to solve the convergence problem in the reduced description method.

  9. Peculiarities of the momentum distribution functions of strongly correlated charged fermions

    Science.gov (United States)

    Larkin, A. S.; Filinov, V. S.; Fortov, V. E.

    2018-01-01

    New numerical version of the Wigner approach to quantum thermodynamics of strongly coupled systems of particles has been developed for extreme conditions, when analytical approximations based on different kinds of perturbation theories cannot be applied. An explicit analytical expression of the Wigner function has been obtained in linear and harmonic approximations. Fermi statistical effects are accounted for by effective pair pseudopotential depending on coordinates, momenta and degeneracy parameter of particles and taking into account Pauli blocking of fermions. A new quantum Monte-Carlo method for calculations of average values of arbitrary quantum operators has been developed. Calculations of the momentum distribution functions and the pair correlation functions of degenerate ideal Fermi gas have been carried out for testing the developed approach. Comparison of the obtained momentum distribution functions of strongly correlated Coulomb systems with the Maxwell–Boltzmann and the Fermi distributions shows the significant influence of interparticle interaction both at small momenta and in high energy quantum ‘tails’.

  10. S-matrix, vertex operators and correlation functions of Liouville theory

    Energy Technology Data Exchange (ETDEWEB)

    Jorjadze, G. [Razmadze Mathematical Institute, M. Aleksidze 1, Tbilisi, Georgia (United States)

    2004-06-01

    We investigate the S-matrix of Liouville theory on the basis of exact relation between exponentials of the in- and out-fields. The vertex operators for negative integer exponentials are constructed by regularising procedure. Their vacuum matrix elements are calculated using Dotsenko-Fateev integrals. The result is continued analytically to the generic case. The obtained correlation function coincides with the suggested 3-point function of Dorn and Otto for positive exponentials only. (Abstract Copyright [2004], Wiley Periodicals, Inc.)

  11. Analytic methods for the Percus-Yevick hard sphere correlation functions

    Directory of Open Access Journals (Sweden)

    D. Henderson

    2009-01-01

    Full Text Available The Percus-Yevick theory for hard spheres provides simple accurate expressions for the correlation functions that have proven exceptionally useful. A summary of the author's lecture notes concerning three methods of obtaining these functions are presented. These notes are original only in part. However, they contain some helpful steps and simplifications. The purpose of this paper is to make these notes more widely available.

  12. COX-2 gene expression is correlated with cognitive function in recurrent depressive disorder.

    Science.gov (United States)

    Gałecki, Piotr; Talarowska, Monika; Bobińska, Kinga; Szemraj, Janusz

    2014-02-28

    Cyclooxygenase-2(COX-2) may be a key inflammatory enzyme involved in recurrent depressive disorder(rDD). In rDD group, COX-2 expression were higher and significant correlations occurred between COX-2 expression and cognitive functions. In controls there was no significant association between analysed variables. Thus, the COX-2 enzyme may be important for cognitive functioning in rDD. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

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

    Science.gov (United States)

    Alves, M. Rui

    2016-06-01

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

  14. Virtual Reality Functional Capacity Assessment In Schizophrenia: Preliminary Data Regarding Feasibility and Correlations with Cognitive and Functional Capacity Performance.

    Science.gov (United States)

    Ruse, Stacy A; Harvey, Philip D; Davis, Vicki G; Atkins, Alexandra S; Fox, Kolleen H; Keefe, Richard S E

    2014-03-01

    Assessment of functional capacity is an intrinsic part of determining the functional relevance of response to treatment of cognitive impairment in schizophrenia. Existing methods are highly and consistently correlated with performance on neuropsychological tests, but most current assessments of functional capacity are still paper and pencil simulations. We developed a computerized virtual reality assessment that contains all of the components of a shopping trip. We administered the Virtual Reality Functional Capacity Assessment Tool (VRFCAT) to 54 healthy controls and to 51 people with schizophrenia to test its feasibility. Dependent variables for the VRFCAT included time to completion and errors on 12 objectives and the number of times that an individual failed to complete an objective. The MATRICS Consensus Cognitive Battery (MCCB) and a standard functional capacity measure, the UCSD Performance-Based Skills Assessment-Brief (UPSA-B) were administered to the patients with schizophrenia. Patients with schizophrenia performed more poorly than healthy controls on 10/11 of the time variables, as well as 2/12 error scores and 2/12 failed objectives. Pearson correlations for 7 of 15 VRFCAT variables with MCCB composite scores were statistically significant. These results provide support for the possibility of computerized functional capacity assessment, but more substantial studies are required.

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

    Energy Technology Data Exchange (ETDEWEB)

    Chacon, A.D.

    1989-11-26

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

  16. Spouse selection and environmental effects on spouse correlation in lung function measures.

    Science.gov (United States)

    Knuiman, Matthew W; Divitini, Mark L; Bartholomew, Helen C

    2005-01-01

    Concordance between spouses may be due to partner selection factors and/or the effects of marriage/environment. The extent to which partner selection factors contribute to spouse concordance has important implications for heritability studies. The aim of this study was to examine the magnitude of spouse correlation in lung function measures and its relationship to duration of marriage. Cross-sectional and longitudinal data collected over the period 1969 to 1995 for 2615 couples from the Busselton Health Study have been analyzed using the program FISHER. Unadjusted correlations were around 0.45 for forced expiratory volume in 1 second (FEV1) and 0.25 for FEV1/FVC (forced vital capacity) and were reduced to 0.05 and 0.10, respectively, after adjustment for age, height, and smoking. No trend with marriage duration was apparent in both cross-sectional and longitudinal analyses but there was a significant downward trend in the correlations with age at marriage. The findings indicate that observed correlations in lung function measures are mostly due to partner selection factors and that partner selection factors have greater influence for couples that marry at younger ages. Family studies that aim to identify and separate genetic from other influences on lung function measures should not regard the mother-father correlation as due to common environment effects.

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

    Science.gov (United States)

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

    2012-06-01

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

  18. Hindlimb muscle function in turtles: is novel skeletal design correlated with novel muscle function?

    Science.gov (United States)

    Mayerl, Christopher J; Pruett, Jenna E; Summerlin, Morgan N; Rivera, Angela R V; Blob, Richard W

    2017-07-15

    Variations in musculoskeletal lever systems have formed an important foundation for predictions about the diversity of muscle function and organismal performance. Changes in the structure of lever systems may be coupled with changes in muscle use and give rise to novel muscle functions. The two extant turtle lineages, cryptodires and pleurodires, exhibit differences in hindlimb structure. Cryptodires possess the ancestral musculoskeletal morphology, with most hip muscles originating on the pelvic girdle, which is not fused to the shell. In contrast, pleurodires exhibit a derived morphology, in which fusion of the pelvic girdle to the shell has resulted in shifts in the origin of most hip muscles onto the interior of the shell. To test how variation in muscle arrangement might influence muscle function during different locomotor behaviors, we combined measurements of muscle leverage in five major hindlimb muscles with data on muscle use and hindlimb kinematics during swimming and walking in representative semiaquatic cryptodire (Trachemys scripta) and pleurodire (Emydura subglobosa) species. We found substantial differences in muscle leverage between the two species. Additionally, we found that there were extensive differences in muscle use in both species, especially while walking, with some pleurodire muscles exhibiting novel functions associated with their derived musculoskeletal lever system. However, the two species shared similar overall kinematic profiles within each environment. Our results suggest that changes in limb lever systems may relate to changes in limb muscle motor patterns and kinematics, but that other factors must also contribute to differences in muscle activity and limb kinematics between these taxa. © 2017. Published by The Company of Biologists Ltd.

  19. Experimental Research on Vibration Fatigue of CFRP and Its Influence Factors Based on Vibration Testing

    OpenAIRE

    Fan, Zhengwei; Jiang, Yu; Zhang, Shufeng; Chen, Xun

    2017-01-01

    A new research method based on vibration testing for the vibration fatigue of FRP was proposed in this paper. Through the testing on a closed-loop controlled vibration fatigue test system, the vibration fatigue phenomenon of typical carbon-fiber-reinforced plastic (CFRP) cantilevered laminate specimens was carefully studied. Moreover, a method based on the frequency response function was proposed to monitor the fatigue damage accumulation of specimens. On the basis of that, the influence fact...

  20. Fast Computation of the Two-Point Correlation Function in the Age of Big Data

    Science.gov (United States)

    Pellegrino, Andrew; Timlin, John

    2018-01-01

    We present a new code which quickly computes the two-point correlation function for large sets of astronomical data. This code combines the ease of use of Python with the speed of parallel shared libraries written in C. We include the capability to compute the auto- and cross-correlation statistics, and allow the user to calculate the three-dimensional and angular correlation functions. Additionally, the code automatically divides the user-provided sky masks into contiguous subsamples of similar size, using the HEALPix pixelization scheme, for the purpose of resampling. Errors are computed using jackknife and bootstrap resampling in a way that adds negligible extra runtime, even with many subsamples. We demonstrate comparable speed with other clustering codes, and code accuracy compared to known and analytic results.

  1. Functional connectivity within and between intrinsic brain networks correlates with trait mind wandering.

    Science.gov (United States)

    Godwin, Christine A; Hunter, Michael A; Bezdek, Matthew A; Lieberman, Gregory; Elkin-Frankston, Seth; Romero, Victoria L; Witkiewitz, Katie; Clark, Vincent P; Schumacher, Eric H

    2017-08-01

    Individual differences across a variety of cognitive processes are functionally associated with individual differences in intrinsic networks such as the default mode network (DMN). The extent to which these networks correlate or anticorrelate has been associated with performance in a variety of circumstances. Despite the established role of the DMN in mind wandering processes, little research has investigated how large-scale brain networks at rest relate to mind wandering tendencies outside the laboratory. Here we examine the extent to which the DMN, along with the dorsal attention network (DAN) and frontoparietal control network (FPCN) correlate with the tendency to mind wander in daily life. Participants completed the Mind Wandering Questionnaire and a 5-min resting state fMRI scan. In addition, participants completed measures of executive function, fluid intelligence, and creativity. We observed significant positive correlations between trait mind wandering and 1) increased DMN connectivity at rest and 2) increased connectivity between the DMN and FPCN at rest. Lastly, we found significant positive correlations between trait mind wandering and fluid intelligence (Ravens) and creativity (Remote Associates Task). We interpret these findings within the context of current theories of mind wandering and executive function and discuss the possibility that certain instances of mind wandering may not be inherently harmful. Due to the controversial nature of global signal regression (GSReg) in functional connectivity analyses, we performed our analyses with and without GSReg and contrast the results from each set of analyses. Copyright © 2017 Elsevier Ltd. All rights reserved.

  2. Asymptotic behavior of perturbation theory for the electromagnetic current-current correlation function in QCD

    Energy Technology Data Exchange (ETDEWEB)

    Brown, L.S.; Yaffe, L.G. (Department of Physics, University of Washington, Seattle, Washington 98195 (United States))

    1992-01-15

    A simple and direct approach is used to examine the constraints imposed by asymptotic freedom and analytically on the large-order behavior of perturbaton theory for the current-current correlation function and its imaginary part which gives the {ital R} ratio in high-energy {ital e}{sup +-}{ital e{minus}} annihilation.

  3. A perturbative approach to the redshift space correlation function: beyond the Standard Model

    Science.gov (United States)

    Bose, Benjamin; Koyama, Kazuya

    2017-08-01

    We extend our previous redshift space power spectrum code to the redshift space correlation function. Here we focus on the Gaussian Streaming Model (GSM). Again, the code accommodates a wide range of modified gravity and dark energy models. For the non-linear real space correlation function used in the GSM we use the Fourier transform of the RegPT 1-loop matter power spectrum. We compare predictions of the GSM for a Vainshtein screened and Chameleon screened model as well as GR. These predictions are compared to the Fourier transform of the Taruya, Nishimichi and Saito (TNS) redshift space power spectrum model which is fit to N-body data. We find very good agreement between the Fourier transform of the TNS model and the GSM predictions, with <= 6% deviations in the first two correlation function multipoles for all models for redshift space separations in 50Mpch <= s <= 180Mpc/h. Excellent agreement is found in the differences between the modified gravity and GR multipole predictions for both approaches to the redshift space correlation function, highlighting their matched ability in picking up deviations from GR. We elucidate the timeliness of such non-standard templates at the dawn of stage-IV surveys and discuss necessary preparations and extensions needed for upcoming high quality data.

  4. Correlation between peripapillary retinal nerve fiber layer thickness and visual function changes in patients receiving ethambutol

    Directory of Open Access Journals (Sweden)

    Dialika Dialika

    2015-04-01

    Full Text Available Background: Recent animal studies revealed the decreased amount of retinal ganglion cells after treatment with ethambutol. The aim of this study was to evaluate the changes of peripapillary retinal nerve fiber layer (RNFL thickness in patients receiving ethambutol therapy, as well as to know the correlation of RNFL thickness changes with the changes of visual function.Methods: This was a cohort study on 29 subjects at one tuberculosis treatment center, Jakarta. Subjects underwent RNFL thickness measurement using optical coherence tomography (OCT and several visual function parameters (visual acuity, contrast sensitivity, color sensitivity and visual field before and two-months following ethambutol therapy. Statistical comparison between pre- and post- ethambutol measurements were done using either paired T-test or Wilcoxon test. Correlations between anatomical and functional changes were assessed with Spearman correlation test. Results: There were significant changes of peripapillary RNFL thickness in superior (147 and 141 μm, p = 0.001, nasal (92 and 88 μm, p = 0.045 quadrants and average RNFL thickness (116.77 and 112.65 μm, p = 0.001. No significant correlation between RNFL thickness changes and the changes of visual function parameters (p > 0.05.Conclusion: Ethambutol consumption for two months in recommended dose is still considered safe to human retina and visual status.

  5. Nonuniversal prefactors in the correlation functions of one-dimensional quantum liquids

    NARCIS (Netherlands)

    Shashi, A.; Glazman, L.I.; Caux, J.S.; Imambekov, A

    2011-01-01

    We develop a general approach to calculating "nonuniversal" prefactors in static and dynamic correlation functions of 1D quantum liquids at zero temperature, by relating them to the unite size scaling of certain matrix elements (form factors). This represents a new, powerful tool for extracting data

  6. Correlated mutation analyses on super-family alignments reveal functionally important residues.

    NARCIS (Netherlands)

    Kuipers, R.K.P.; Joosten, H.J.; Verwiel, E.; Paans, S.; Akerboom, J.; Oost, J. van der; Leferink, N.G.; Berkel, W.J. van; Vriend, G.; Schaap, P.J.

    2009-01-01

    Correlated mutation analyses (CMA) on multiple sequence alignments are widely used for the prediction of the function of amino acids. The accuracy of CMA-based predictions is mainly determined by the number of sequences, by their evolutionary distances, and by the quality of the alignments. These

  7. Correlated mutation analyses on super-family alignments reveal functionally important residues

    NARCIS (Netherlands)

    Kuipers, R.K.; Joosten, H.J.; Verwiel, E.; Paans, J.; Akerboom, J.; Oost, van der J.; Leferink, N.G.H.; Berkel, van W.J.H.; Vriend, G.; Schaap, P.J.

    2009-01-01

    Correlated mutation analyses (CMA) on multiple sequence alignments are widely used for the prediction of the function of amino acids. The accuracy of CMA-based predictions is mainly determined by the number of sequences, by their evolutionary distances, and by the quality of the alignments. These

  8. Electromagnetic Green's functions retrieval by cross?correlation and cross?convolution in media with losses

    NARCIS (Netherlands)

    Slob, E.C.; Wapenaar, C.P.A.

    2007-01-01

    It is shown that the electromagnetic Green's functions of any linear medium with arbitrary heterogeneity can be obtained from the cross?correlation, or the cross?convolution, of two recordings at different receiver locations in an open system. Existing representations are known for

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

    Science.gov (United States)

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

    2011-01-01

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

  10. [Accuracy of correlation function method for evaluating pulsed high intensity focused ultrasound].

    Science.gov (United States)

    Zhao, Xin; Zou, Jianzhong; Wu, Feng; Liu, Fang; Jiao, Jiao

    2013-01-01

    To investigate the accuracy of ultrasound monitoring during pulsed high intensity focused ultrasound (PHIFU) treatment and improve the sensitivity of ultrasound monitoring of tissue necrosis caused by PHIFU treatment. Bovine liver ex vivo was dot-exposed with HIFU at the therapeutic doses of 2000 J (group A) and 1440 J (group B). The two groups were further divided into groups A1 (power 100 W, duty cycle 100%, irradiate 20 s) A2 (power 100 W, duty cycle 50%, irradiate 40 s), A3 (power 100 W, duty cycle 40%, irradiate 50 s), B1 (power 120 W, duty cycle 100%, irradiate 12 s), B2 (power 100 W, duty cycle 50%, irradiate 24 s), and B3 (power 100 W, duty cycle 40%, irradiate 30 s). The gray scale changes in the ultrasonic images after the exposures were observed, and the correlation function of the image was calculated before and after the exposure. The accuracy of evaluations based on the correlation function and gray-scale changes was compared. The correct rate of gray scale-based evaluation of tissue necrosis caused by PHIFU was only 51%, while that by correlation function-based evaluation reached 85%. Monitoring of tissue necrosis caused by PHIFU treatment can not rely solely on evaluation of gray-scale change of the ultrasound images, and the correlation function-based evaluation can be more accurate and sensitive for that purpose.

  11. Efficient implementation of the rank correlation merit function for 2D/3D registration

    Energy Technology Data Exchange (ETDEWEB)

    Figl, M; Bloch, C; Gendrin, C; Weber, C; Pawiro, S A; Hummel, J; Markelj, P; Pernus, F; Bergmann, H; Birkfellner, W, E-mail: michael.figl@meduniwien.ac.a, E-mail: christoph.bloch@meduniwien.ac.a, E-mail: wolfgang.birkfellner@meduniwien.ac.a [Center for Medical Physics and Biomedical Engineering, Medical University Vienna, AKH 4 L, Waehringer Guertel 18-20, A-1090 Vienna (Austria); Laboratory of Imaging Technologies, Faculty of Electrical Engineering, University of Ljubljana, Trzaska 25, SI-1000 Ljubljana (Slovenia)

    2010-10-07

    A growing number of clinical applications using 2D/3D registration have been presented recently. Usually, a digitally reconstructed radiograph is compared iteratively to an x-ray image of the known projection geometry until a match is achieved, thus providing six degrees of freedom of rigid motion which can be used for patient setup in image-guided radiation therapy or computer-assisted interventions. Recently, stochastic rank correlation, a merit function based on Spearman's rank correlation coefficient, was presented as a merit function especially suitable for 2D/3D registration. The advantage of this measure is its robustness against variations in image histogram content and its wide convergence range. The considerable computational expense of computing an ordered rank list is avoided here by comparing randomly chosen subsets of the DRR and reference x-ray. In this work, we show that it is possible to omit the sorting step and to compute the rank correlation coefficient of the full image content as fast as conventional merit functions. Our evaluation of a well-calibrated cadaver phantom also confirms that rank correlation-type merit functions give the most accurate results if large differences in the histogram content for the DRR and the x-ray image are present. (note)

  12. A data driven approach for condition monitoring of wind turbine blade using vibration signals through best-first tree algorithm and functional trees algorithm: A comparative study.

    Science.gov (United States)

    Joshuva, A; Sugumaran, V

    2017-03-01

    Wind energy is one of the important renewable energy resources available in nature. It is one of the major resources for production of energy because of its dependability due to the development of the technology and relatively low cost. Wind energy is converted into electrical energy using rotating blades. Due to environmental conditions and large structure, the blades are subjected to various vibration forces that may cause damage to the blades. This leads to a liability in energy production and turbine shutdown. The downtime can be reduced when the blades are diagnosed continuously using structural health condition monitoring. These are considered as a pattern recognition problem which consists of three phases namely, feature extraction, feature selection, and feature classification. In this study, statistical features were extracted from vibration signals, feature selection was carried out using a J48 decision tree algorithm and feature classification was performed using best-first tree algorithm and functional trees algorithm. The better algorithm is suggested for fault diagnosis of wind turbine blade. Copyright © 2017 ISA. Published by Elsevier Ltd. All rights reserved.

  13. Correlation of radiographic and functional measurements in patients who underwent primary scoliosis surgery in adult age.

    Science.gov (United States)

    Sánchez-Mariscal, Felisa; Gomez-Rice, Alejandro; Izquierdo, Enrique; Pizones, Javier; Zúñiga, Lorenzo; Alvarez-González, Patricia

    2012-04-01

    Prospective radiographic and clinical analysis. To evaluate whether radiographic spinopelvic parameters correlate with health-related quality of life (HRQOL) measures, in the long run, in patients operated on scoliosis in adult age. There are papers that correlate sagittal radiographic parameters with HRQOL scores for healthy spine as well as for some spinal disorders. However, there are limited studies evaluating correlations between HRQOL measures, radiographic spinopelvic parameters, and age in patients operated on scoliosis in adult age. Fifty-nine patients, older than 21 years at surgery time (median: 50.2 years), were operated upon at a single center. All of them suffered mainly frontal deformity, idiopathic or degenerative curves, and long fusions, with more than a 2-year follow-up (median:8.5 years). Full-length freestanding radiographs, including the spine and pelvis, and SRS22 and SF36 instruments, were available for every patient at final follow-up. Sagittal and frontal radiographic parameters and age were analyzed for correlation with HRQOL. A multivariate analysis was performed. No significant correlation was found between frontal parameters and HRQOL measures. Spearman rank order test showed correlation (P Scoliosis Research Society (SRS) activity and sagittal vertical axis (SVA) (r = -0.44), pelvic tilt (PT) (r = -0.49), and age (r = -0.5). SRS total was correlated (P scoliosis, frontal radiographic parameters did not correlate with HRQOL measures. In univariate analysis, patient age, SVA, and PT correlated with activity scores, although the correlation coefficients did not reach high values. After multivariate analysis, SVA was not a predictor of function.

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

    Energy Technology Data Exchange (ETDEWEB)

    Clay, Raymond C. [Univ. of Illinois, Urbana, IL (United States); Mcminis, Jeremy [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); McMahon, Jeffrey M. [Univ. of Illinois, Urbana, IL (United States); Pierleoni, Carlo [Istituto Nazionale di Fisica Nucleare (INFN), L' aquila (Italy). Lab. Nazionali del Gran Sasso (INFN-LNGS); Ceperley, David M. [Univ. of Illinois, Urbana, IL (United States); Morales, Miguel A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2014-05-01

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

  15. The neural correlates of the metacognitive function of other perspective: a multiple regression analysis study.

    Science.gov (United States)

    Shiota, Syouichi; Okamoto, Yasumasa; Okada, Go; Takagaki, Koki; Takamura, Masahiro; Mori, Asako; Yokoyama, Satoshi; Nishiyama, Yoshiko; Jinnin, Ran; Hashimoto, Ryuichiro; Yamawaki, Shigeto

    2017-08-02

    Perspective taking is defined as the social cognitive function of imagining the world or imagining oneself from another's viewpoint. Previously, we reported that behavioral activation increased the dorsal medial prefrontal cortex (dmPFC) activation during other perspective self-referential processing for positive words in subthreshold depression, but did not report whether metacognitive function was related to the dmPFC activation. Therefore, we sought to test the relationship between the dmPFC activation during other perspective self-referential processing for positive words and an individual's metacognitive evaluation of other perspective. Thirty-four healthy individuals underwent functional MRI scans during a referential task with two viewpoints (self/other) and two emotional valences (positive/negative). Neural activation during other perspective self-referential processing for positive words was correlated with the metacognitive function of participants measured by the Interpersonal Reactivity Index (IRI). We found a positive correlation between the score in perspective taking of the IRI and activation in the dmPFC during other perspective self-referential processing for positive words. The present findings showed that self-report questionnaires assessing participants' metacognitive evaluation of other perspective were correlated with dmPFC activation during positive metacognition of other perspective task. However, we did not conduct a behavioral activation intervention in the present study. The present students were healthy. The IRI is a subjective measure of multidimensional trait empathy. It is necessary to develop an objective measurement for the metacognitive function of other perspective in the near future.

  16. An Examination of Lower Extremity Function and its Correlates in Older African American and White Men.

    Science.gov (United States)

    Clay, Olivio J; Thorpe, Roland J; Wilkinson, Larrell L; Plaisance, Eric P; Crowe, Michael; Sawyer, Patricia; Brown, Cynthia J

    2015-08-07

    Maintaining functional status and reducing/eliminating health disparities in late life are key priorities. Older African Americans have been found to have worse lower extremity functioning than Whites, but little is known about potential differences in correlates between African American and White men. The goal of this investigation was to examine measures that could explain this racial difference and to identify race-specific correlates of lower extremity function. Data were analyzed for a sample of community-dwelling men. Linear regression models examined demographics, medical conditions, health behaviors, and perceived discrimination and mental health as correlates of an objective measure of lower extremity function, the Short Physical Performance Battery (SPPB). Scores on the SPPB have a potential range of 0 to 12 with higher scores corresponding to better functioning. The mean age of all men was 74.9 years (SD=6.5), and the sample was 50% African American and 53% rural. African American men had scores on the SPPB that were significantly lower than White men after adjusting for age, rural residence, marital status, education, and income difficulty (Pplanning targeted interventions to help reduce disparities.

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

    Science.gov (United States)

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

    2015-01-01

    The first postnatal year is characterized by the most dramatic functional network development of the human lifespan. Yet, the relative sequence of the maturation of different networks and the impact of socioeconomic status (SES) on their development during this critical period remains poorly characterized. Leveraging a large, normally developing infant sample with multiple longitudinal resting-state functional magnetic resonance imaging scans during the first year (N = 65, scanned every 3 months), we aimed to delineate the relative maturation sequence of 9 key brain functional networks and examine their SES correlations. Our results revealed a maturation sequence from primary sensorimotor/auditory to visual to attention/default-mode, and finally to executive control networks. Network-specific critical growth periods were also identified. Finally, marginally significant positive SES–brain correlations were observed at 6 months of age for both the sensorimotor and default-mode networks, indicating interesting SES effects on functional brain maturation. To the best of our knowledge, this is the first study delineating detailed longitudinal growth trajectories of all major functional networks during the first year of life and their SES correlations. Insights from this study not only improve our understanding of early brain development, but may also inform the critical periods for SES expression during infancy. PMID:24812084

  18. Large-order perturbation theory for the electromagnetic current-current correlation function

    Energy Technology Data Exchange (ETDEWEB)

    Brown, L.S.; Yaffe, L.G.; Zhai, C. (Department of Physics, FM-15, University of Washington, Seattle, Washington 98195 (United States))

    1992-11-15

    The constraints imposed by asymptotic freedom and analyticity on the large-order behavior of perturbation theory for the electromagnetic current-current correlation function are examined. By suitably applying the renormalization group, the coefficients of the asymptotic expansion in the deep Euclidean region may be expressed explicitly in terms of the perturbative coefficients of the Minkowski space discontinuity (the {ital R} ratio in {ital e}{sup +}{ital e{minus}} scattering). This relation yields a generic'' prediction for the large-order behavior of the Euclidean perturbation series and suggests the presence of nonperturbative 1/{ital q}{sup 2} correction in the Euclidean correlation function. No such generic'' prediction can be made for the physically measurable {ital R} ratio. A novel functional method is developed to obtain these results.

  19. Green's function approximation from cross-correlation of active sources in the ocean.

    Science.gov (United States)

    Brooks, Laura A; Gerstoft, Peter

    2009-07-01

    Green's function approximation via ocean noise cross-correlation, referred to here as ocean acoustic interferometry, has been demonstrated experimentally for passive noise sources. Active sources offer the advantages of higher frequencies, controllability, and continuous monitoring. Experimental ocean acoustic interferometry is described here for two active source configurations: a source lowered vertically and one towed horizontally. Results are compared and contrasted with cross-correlations of passive noise. The results, in particular, differences between the empirical Green's function estimates and simulated Green's functions, are explained with reference to theory and simulations. Approximation of direct paths is shown to be consistently good for each source configuration. Secondary (surface reflection) paths are shown to be more accurate for hydrophones with a greater horizontal separation.

  20. Large-N correlation functions in ${\\cal N} = 2$ superconformal QCD

    CERN Document Server

    Baggio, Marco; Papadodimas, Kyriakos; Vos, Gideon

    2017-01-24

    We study extremal correlation functions of chiral primary operators in the large-N SU(N) ${\\cal N} = 2$ superconformal QCD theory and present new results based on supersymmetric localization. We discuss extensively the basis-independent data that can be extracted from these correlators using the leading order large-N matrix model free energy given by the four-sphere partition function. Special emphasis is given to single-trace 2- and 3-point functions as well as a new class of observables that are scalars on the conformal manifold. These new observables are particular quadratic combinations of the structure constants of the chiral ring. At weak 't Hooft coupling we present perturbative results that, in principle, can be extended to arbitrarily high order. We obtain closed-form expressions up to the first subleading order. At strong coupling we provide analogous results based on an approximate Wiener-Hopf method.

  1. The adiabatic strictly-correlated-electrons functional: kernel and exact properties.

    Science.gov (United States)

    Lani, Giovanna; Di Marino, Simone; Gerolin, Augusto; van Leeuwen, Robert; Gori-Giorgi, Paola

    2016-08-03

    We investigate a number of formal properties of the adiabatic strictly-correlated electrons (SCE) functional, relevant for time-dependent potentials and for kernels in linear response time-dependent density functional theory. Among the former, we focus on the compliance to constraints of exact many-body theories, such as the generalised translational invariance and the zero-force theorem. Within the latter, we derive an analytical expression for the adiabatic SCE Hartree exchange-correlation kernel in one dimensional systems, and we compute it numerically for a variety of model densities. We analyse the non-local features of this kernel, particularly the ones that are relevant in tackling problems where kernels derived from local or semi-local functionals are known to fail.

  2. Large-N correlation functions in ${\\cal N} = 2$ superconformal QCD

    CERN Document Server

    Baggio, Marco; Papadodimas, Kyriakos; Vos, Gideon

    2017-01-01

    We study extremal correlation functions of chiral primary operators in the large-N SU(N) ${\\cal N} = 2$ superconformal QCD theory and present new results based on supersymmetric localization. We discuss extensively the basis-independent data that can be extracted from these correlators using the leading order large-N matrix model free energy given by the four-sphere partition function. Special emphasis is given to single-trace 2- and 3-point functions as well as a new class of observables that are scalars on the conformal manifold. These new observables are particular quadratic combinations of the structure constants of the chiral ring. At weak 't Hooft coupling we present perturbative results that, in principle, can be extended to arbitrarily high order. We obtain closed-form expressions up to the first subleading order. At strong coupling we provide analogous results based on an approximate Wiener-Hopf method.

  3. Urban vibrations

    DEFF Research Database (Denmark)

    Morrison, Ann; Knudsen, L.; Andersen, Hans Jørgen

    2012-01-01

      lab   studies   in   that   we   found   a   decreased   detection   rate   in   busy   environments.   Here   we   test   with   a   much   larger   sample   and   age   range,   and   contribute   with   the   first   vibration  sensitivity  testing  outside  the  lab  in  an  urban   public...

  4. Factors that Influence Graft Function at 1-Year Posttransplantation and Correlation with Baseline Donated Kidney Function Measured with Radioisotopes

    Directory of Open Access Journals (Sweden)

    Bushljetik Irena Rambabova

    2016-06-01

    Full Text Available Introduction. Assessment of renal function is a crucial component of donor evaluation. The higher measured donor GFR is independently associated with a better allograft outcomes in living donor kidney transplantation (LDKT. Monitoring graft function and estimation of GFR is a recommended method for patients’ follow-up in posttransplantation period. The aim of our study was to investigate the correlation of directly measured GFR of donated kidney with estimated GFR through creatininebased formulas and to detect impact factors on the graft function at 12 months posttransplantation. Methods. Fifty LDKT patients (related and nonrelated donors with stable renal function in a period of 12 months after transplantation were included in our study. The mean recipient age was 30.7±9.6 years, and donor age 55.45±9.41 years. The mean directly measured donated kidney GFR was 47.61±5.72 ml/min. Graft function was estimated at 3, 6 and 12 months by 3 formulas: Cockcroft- Gault (C-G, MDRD 6 variables and Nankivell. Direct correlation of estimated with measured radiolabeled 99mTc DTPA GFR was performed. Various impact factors such as donor age, dialysis vintage and different calcineurin inhibitors as a part of immunosupression were evaluated. Results. Estimated GFR at 12 months with MDRD, Cockroft Gault, and Nankivell formulas was 72.65±22.6, 94.25±36.42, and 81.78±17.89 ml/min, respectively. The highest estimated GFR was obtained with C-G formula at all three time points. The estimated allograft GFR did not correlate with directly measured GFR of donated kidney. Donor age well correlated with the graft function at 12 months. Allografts from standard criteria donors-SCD (60 years. The highest GFR was estimated with C-G equation (106.08±39.26 ml/min, while GFR estimated with Nankivell was 86.86±15.30 ml/min, and with MDRD 79.67±20.28 ml/min, presenting patients in stage 2 of chronic kidney disease. Duration of hemodialysis treatment under 24 months

  5. Reduced Rank Mixed Effects Models for Spatially Correlated Hierarchical Functional Data

    KAUST Repository

    Zhou, Lan

    2010-03-01

    Hierarchical functional data are widely seen in complex studies where sub-units are nested within units, which in turn are nested within treatment groups. We propose a general framework of functional mixed effects model for such data: within unit and within sub-unit variations are modeled through two separate sets of principal components; the sub-unit level functions are allowed to be correlated. Penalized splines are used to model both the mean functions and the principal components functions, where roughness penalties are used to regularize the spline fit. An EM algorithm is developed to fit the model, while the specific covariance structure of the model is utilized for computational efficiency to avoid storage and inversion of large matrices. Our dimension reduction with principal components provides an effective solution to the difficult tasks of modeling the covariance kernel of a random function and modeling the correlation between functions. The proposed methodology is illustrated using simulations and an empirical data set from a colon carcinogenesis study. Supplemental materials are available online.

  6. Functional Brain Correlates of Upper Limb Spasticity and Its Mitigation following Rehabilitation in Chronic Stroke Survivors

    Directory of Open Access Journals (Sweden)

    Svetlana Pundik

    2014-01-01

    Full Text Available Background. Arm spasticity is a challenge in the care of chronic stroke survivors with motor deficits. In order to advance spasticity treatments, a better understanding of the mechanism of spasticity-related neuroplasticity is needed. Objective. To investigate brain function correlates of spasticity in chronic stroke and to identify specific regional functional brain changes related to rehabilitation-induced mitigation of spasticity. Methods. 23 stroke survivors (>6 months were treated with an arm motor learning and spasticity therapy (5 d/wk for 12 weeks. Outcome measures included Modified Ashworth scale, sensory tests, and functional magnetic resonance imaging (fMRI for wrist and hand movement. Results. First, at baseline, greater spasticity correlated with poorer motor function (P=0.001 and greater sensory deficits (P=0.003. Second, rehabilitation produced improvement in upper limb spasticity and motor function (P<0.0001. Third, at baseline, greater spasticity correlated with higher fMRI activation in the ipsilesional thalamus (rho=0.49, P=0.03. Fourth, following rehabilitation, greater mitigation of spasticity correlated with enhanced fMRI activation in the contralesional primary motor (r=-0.755, P=0.003, premotor (r=−0.565, P=0.04, primary sensory (r=−0.614, P=0.03, and associative sensory (r=−0.597, P=0.03 regions while controlling for changes in motor function. Conclusions. Contralesional motor regions may contribute to restoring control of muscle tone in chronic stroke.

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

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    Sebastián Figueroa-Bonaparte

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

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

    Science.gov (United States)

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

    2016-01-01

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

  9. Correlation of tomographic findings with pulmonary function parameters in nonsmoking patients with idiopathic pulmonary fibrosis

    Energy Technology Data Exchange (ETDEWEB)

    Lopes, Agnaldo Jose; Capone, Domenico; Mogami, Roberto; Jansen, Jose Manoel [Universidade do Estado do Rio de Janeiro (UERJ), RJ (Brazil). School of Medical Sciences].E mail: phel.lop@uol.com.br; Cunha, Daniel Leme da [Universidade do Estado do Rio de Janeiro (UERJ), RJ (Brazil). Pedro Ernesto University Hospital. Dept. of Radiology and Diagnostic Imaging; Melo, Pedro Lopes de [Universidade do Estado do Rio de Janeiro (UERJ), RJ (Brazil). Inst. of Biology

    2007-11-15

    Objective: To correlate tomographic findings with pulmonary function parameters in patients with idiopathic pulmonary fibrosis (IPF). Methods: A cross-sectional study was carried out, in which 30 nonsmoking patients with IPF were evaluated. Using a semiquantitative scoring system, the following high-resolution computerized tomography findings were quantified: total interstitial disease (TID), reticular abnormality/honeycombing, and ground-glass opacity (GGO). The functional variables were measured by spirometry, forced oscillation technique (FOT), helium dilution method, as well as the single-breath method of measuring diffusion capacity of the lung for carbon monoxide (DLCO). Results: Of the 30 patients studied, 18 were female, and 12 were male, with a mean age of 70.9 years. We found that TID and reticular abnormality and honeycombing correlated significantly (negative correlations) with the measurements of forced vital capacity (FVC), total lung capacity (TLC), DLCO, and dynamic respiratory compliance were found, as well as that GGO correlated significantly (and positively) with residual volume/TLC. The ratio of forced expiratory flow between 25 and 75% of FVC to FVC (FEF25-75%/FVC) correlated positively with TID, reticular abnormality/honeycombing, and GGO. Conclusion: In IPF patients, the measurements of volume, diffusion, and dynamic compliance are the physiological variables which best reflect the extent of the interstitial disease on HRCT scans. (author)

  10. The structural and functional correlates of the efficiency in fearful face detection.

    Science.gov (United States)

    Wang, Yongchao; Guo, Nana; Zhao, Li; Huang, Hui; Yao, Xiaonan; Sang, Na; Hou, Xin; Mao, Yu; Bi, Taiyong; Qiu, Jiang

    2017-06-01

    Human visual system is found to be much efficient in searching for a fearful face. Some individuals are more sensitive to this threat-related stimulus. However, we still know little about the neural correlates of such variability. In the current study, we exploited a visual search paradigm, and asked the subjects to search for a fearful face or a target gender. Every subject showed a shallower search function for fearful face search than face gender search, indicating a stable fearful face advantage. We then used voxel-based morphometry (VBM) analysis and correlated this advantage to the gray matter volume (GMV) of some presumably face related cortical areas. The result revealed that only the left fusiform gyrus showed a significant positive correlation. Next, we defined the left fusiform gyrus as the seed region and calculated its resting state functional connectivity to the whole brain. Correlations were also calculated between fearful face advantage and these connectivities. In this analysis, we found positive correlations in the inferior parietal lobe and the ventral medial prefrontal cortex. These results suggested that the anatomical structure of the left fusiform gyrus might determine the search efficiency of fearful face, and frontoparietal attention network involved in this process through top-down attentional modulation. Copyright © 2017. Published by Elsevier Ltd.

  11. Inference of Functionally-Relevant N-acetyltransferase Residues Based on Statistical Correlations.

    Directory of Open Access Journals (Sweden)

    Andrew F Neuwald

    2016-12-01

    Full Text Available Over evolutionary time, members of a superfamily of homologous proteins sharing a common structural core diverge into subgroups filling various functional niches. At the sequence level, such divergence appears as correlations that arise from residue patterns distinct to each subgroup. Such a superfamily may be viewed as a population of sequences corresponding to a complex, high-dimensional probability distribution. Here we model this distribution as hierarchical interrelated hidden Markov models (hiHMMs, which describe these sequence correlations implicitly. By characterizing such correlations one may hope to obtain information regarding functionally-relevant properties that have thus far evaded detection. To do so, we infer a hiHMM distribution from sequence data using Bayes' theorem and Markov chain Monte Carlo (MCMC sampling, which is widely recognized as the most effective approach for characterizing a complex, high dimensional distribution. Other routines then map correlated residue patterns to available structures with a view to hypothesis generation. When applied to N-acetyltransferases, this reveals sequence and structural features indicative of functionally important, yet generally unknown biochemical properties. Even for sets of proteins for which nothing is known beyond unannotated sequences and structures, this can lead to helpful insights. We describe, for example, a putative coenzyme-A-induced-fit substrate binding mechanism mediated by arginine residue switching between salt bridge and π-π stacking interactions. A suite of programs implementing this approach is available (psed.igs.umaryland.edu.

  12. Three-dimensional Echocardiography of Right Ventricular Function Correlates with Severity of Pediatric Pulmonary Hypertension.

    Science.gov (United States)

    Jone, Pei-Ni; Patel, Sonali S; Cassidy, Courtney; Ivy, David Dunbar

    2016-12-01

    Right ventricular function and biomarkers of B-type natriuretic peptide (BNP) and N-Terminal pro-BNP (NT pro-BNP) are used to determine the severity of right ventricular failure and outcomes from pulmonary hypertension. Real-time three-dimensional echocardiography (3DE) is a novel quantitative measure of the right ventricle and decreases the geometric assumptions from conventional two-dimensional echocardiography (2DE). We correlated right ventricular functional measures using 2DE and single-beat 3DE with biomarkers and hemodynamics to determine the severity of pediatric pulmonary hypertension. We retrospectively evaluated 35 patients (mean age 12.67 ± 5.78 years) with established pulmonary hypertension who had echocardiograms and biomarkers on the same day. Ten out of 35 patients had hemodynamic evaluation within 3 days. 2DE evaluation included tricuspid annular plane systolic excursion (TAPSE), right ventricular myocardial performance index from tissue Doppler imaging (RV TDI MPI), and right ventricular fractional area change (FAC). Three-dimensional echocardiography evaluation included right ventricular ejection fraction (EF), end-systolic volume, and end-diastolic volume. The quality of the 3DE was graded as good, fair, or poor. Pearson correlation coefficients were utilized to evaluate between biomarkers and echocardiographic parameters and between hemodynamics and echocardiography. Three-dimensional echocardiography and FAC correlated significantly with BNP and NT pro-BNP. TAPSE and RV TDI MPI did not correlate significantly with biomarkers. 3D right ventricular EF correlated significantly with hemodynamics. Two-dimensional echocardiography did not correlate with hemodynamics. Single-beat 3DE is a noninvasive, feasible tool in the quantification of right ventricular function and maybe more accurate than conventional 2DE in evaluating severity of pulmonary hypertension. © 2016 Wiley Periodicals, Inc.

  13. [Correlation between pulmonary function, posture, and body composition in patients with asthma].

    Science.gov (United States)

    Almeida, V P; Guimarães, F S; Moço, V J R; Menezes, S L S; Mafort, T T; Lopes, A J

    2013-01-01

    Asthma may result in postural disorders due to increased activity of accessory respiratory muscles and hyperinflation. Our primary objective was to assess the correlation between pulmonary function and posture in adult patients with asthma. Secondarily, we aimed to study the correlation between body composition and body posture in this group of patients. This was a cross-sectional study including 34 patients with asthma who were subjected to postural assessment (photogrammetry), pulmonary function testing (spirometry, whole-body plethysmography, diffusing capacity for carbon monoxide, and respiratory muscle strength), and body composition estimation by means of bioelectrical impedance. Most patients were female (70.6%) with a median age of 32.5 years (range: 23-42 years old). We found a significant correlation between horizontal alignment of head (anterior view) and the ratio of forced expiratory volume in 1 second to forced vital capacity (FEV1/FVC; ρ=-0,37; P=.03), total lung capacity (TLC; ρ=0,42; P=.01), and residual volume (RV; ρ=0,45; P<.001). Bronchial obstruction and respiratory muscle strength variables also correlated with postural assessment measures on the right and left lateral views. Both body mass index and the percentage of fat mass correlated with horizontal alignment of head, horizontal alignment of the pelvis, and the frontal angle of the lower limbs. Adult patients with asthma exhibit specific postural disorders that correlate with pulmonary function and body composition. The assessment of postural variables may provide a better pulmonary rehabilitation approach for these patients. Copyright © 2012 Sociedade Portuguesa de Pneumologia. Published by Elsevier España. All rights reserved.

  14. The Modified Fourier-Ritz Approach for the Free Vibration of Functionally Graded Cylindrical, Conical, Spherical Panels and Shells of Revolution with General Boundary Condition

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    Lijie Li

    2017-01-01

    Full Text Available The aim of this paper is to extend the modified Fourier-Ritz approach to evaluate the free vibration of four-parameter functionally graded moderately thick cylindrical, conical, spherical panels and shells of revolution with general boundary conditions. The first-order shear deformation theory is employed to formulate the theoretical model. In the modified Fourier-Ritz approach, the admissible functions of the structure elements are expanded into the improved Fourier series which consist of two-dimensional (2D Fourier cosine series and auxiliary functions to eliminate all the relevant discontinuities of the displacements and their derivatives at the edges regardless of boundary conditions and then solve the natural frequencies by means of the Ritz method. As one merit of this paper, the functionally graded cylindrical, conical, spherical shells are, respectively, regarded as a special functionally graded cylindrical, conical, spherical panels, and the coupling spring technology is introduced to ensure the kinematic and physical compatibility at the common meridian. The excellent accuracy and reliability of the unified computational model are compared with the results found in the literatures.

  15. Neural correlates of emotional personality: a structural and functional magnetic resonance imaging study.

    Directory of Open Access Journals (Sweden)

    Stefan Koelsch

    Full Text Available Studies addressing brain correlates of emotional personality have remained sparse, despite the involvement of emotional personality in health and well-being. This study investigates structural and functional brain correlates of psychological and physiological measures related to emotional personality. Psychological measures included neuroticism, extraversion, and agreeableness scores, as assessed using a standard personality questionnaire. As a physiological measure we used a cardiac amplitude signature, the so-called E κ value (computed from the electrocardiogram which has previously been related to tender emotionality. Questionnaire scores and E κ values were related to both functional (eigenvector centrality mapping, ECM and structural (voxel-based morphometry, VBM neuroimaging data. Functional magnetic resonance imaging (fMRI data were obtained from 22 individuals (12 females while listening to music (joy, fear, or neutral music. ECM results showed that agreeableness scores correlated with centrality values in the dorsolateral prefrontal cortex, the anterior cingulate cortex, and the ventral striatum (nucleus accumbens. Individuals with higher E κ values (indexing higher tender emotionality showed higher centrality values in the subiculum of the right hippocampal formation. Structural MRI data from an independent sample of 59 individuals (34 females showed that neuroticism scores correlated with volume of the left amygdaloid complex. In addition, individuals with higher E κ showed larger gray matter volume in the same portion of the subiculum in which individuals with higher E κ showed higher centrality values. Our results highlight a role of the amygdala in neuroticism. Moreover, they indicate that a cardiac signature related to emotionality (E κ correlates with both function (increased network centrality and structure (grey matter volume of the subiculum of the hippocampal formation, suggesting a role of the hippocampal formation for

  16. Neural Correlates of Emotional Personality: A Structural and Functional Magnetic Resonance Imaging Study

    Science.gov (United States)

    Koelsch, Stefan; Skouras, Stavros; Jentschke, Sebastian

    2013-01-01

    Studies addressing brain correlates of emotional personality have remained sparse, despite the involvement of emotional personality in health and well-being. This study investigates structural and functional brain correlates of psychological and physiological measures related to emotional personality. Psychological measures included neuroticism, extraversion, and agreeableness scores, as assessed using a standard personality questionnaire. As a physiological measure we used a cardiac amplitude signature, the so-called Eκ value (computed from the electrocardiogram) which has previously been related to tender emotionality. Questionnaire scores and Eκ values were related to both functional (eigenvector centrality mapping, ECM) and structural (voxel-based morphometry, VBM) neuroimaging data. Functional magnetic resonance imaging (fMRI) data were obtained from 22 individuals (12 females) while listening to music (joy, fear, or neutral music). ECM results showed that agreeableness scores correlated with centrality values in the dorsolateral prefrontal cortex, the anterior cingulate cortex, and the ventral striatum (nucleus accumbens). Individuals with higher Eκ values (indexing higher tender emotionality) showed higher centrality values in the subiculum of the right hippocampal formation. Structural MRI data from an independent sample of 59 individuals (34 females) showed that neuroticism scores correlated with volume of the left amygdaloid complex. In addition, individuals with higher Eκ showed larger gray matter volume in the same portion of the subiculum in which individuals with higher Eκ showed higher centrality values. Our results highlight a role of the amygdala in neuroticism. Moreover, they indicate that a cardiac signature related to emotionality (Eκ) correlates with both function (increased network centrality) and structure (grey matter volume) of the subiculum of the hippocampal formation, suggesting a role of the hippocampal formation for emotional

  17. Neural correlates of emotional personality: a structural and functional magnetic resonance imaging study.

    Science.gov (United States)

    Koelsch, Stefan; Skouras, Stavros; Jentschke, Sebastian

    2013-01-01

    Studies addressing brain correlates of emotional personality have remained sparse, despite the involvement of emotional personality in health and well-being. This study investigates structural and functional brain correlates of psychological and physiological measures related to emotional personality. Psychological measures included neuroticism, extraversion, and agreeableness scores, as assessed using a standard personality questionnaire. As a physiological measure we used a cardiac amplitude signature, the so-called E κ value (computed from the electrocardiogram) which has previously been related to tender emotionality. Questionnaire scores and E κ values were related to both functional (eigenvector centrality mapping, ECM) and structural (voxel-based morphometry, VBM) neuroimaging data. Functional magnetic resonance imaging (fMRI) data were obtained from 22 individuals (12 females) while listening to music (joy, fear, or neutral music). ECM results showed that agreeableness scores correlated with centrality values in the dorsolateral prefrontal cortex, the anterior cingulate cortex, and the ventral striatum (nucleus accumbens). Individuals with higher E κ values (indexing higher tender emotionality) showed higher centrality values in the subiculum of the right hippocampal formation. Structural MRI data from an independent sample of 59 individuals (34 females) showed that neuroticism scores correlated with volume of the left amygdaloid complex. In addition, individuals with higher E κ showed larger gray matter volume in the same portion of the subiculum in which individuals with higher E κ showed higher centrality values. Our results highlight a role of the amygdala in neuroticism. Moreover, they indicate that a cardiac signature related to emotionality (E κ) correlates with both function (increased network centrality) and structure (grey matter volume) of the subiculum of the hippocampal formation, suggesting a role of the hippocampal formation for

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

    Science.gov (United States)

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

    2011-07-01

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

  19. Correlation function of ultra-high energy cosmic rays favors point sources

    CERN Document Server

    Tinyakov, Peter G

    2001-01-01

    We calculate the angular two-point correlation function of ultra-high energy cosmic rays (UHECR) observed by AGASA and Yakutsk experiments. In both data sets, there is a strong signal at highest energies, which is concentrated in the first bin of the size of the angular resolution of the experiment. For the uniform distribution of sources, the probability of a chance clustering is 4 x 10^{-6}. Correlations are absent or not significant at larger angles. This favors the models with compact sources of UHECR.

  20. Communication: Explicitly correlated formalism for second-order single-particle Green's function.

    Science.gov (United States)

    Pavošević, Fabijan; Peng, Chong; Ortiz, J V; Valeev, Edward F

    2017-09-28

    We present an explicitly correlated formalism for the second-order single-particle Green's function method (GF2-F12) that does not assume the popular diagonal approximation and describes the energy dependence of the explicitly correlated terms. For small and medium organic molecules, the basis set errors of ionization potentials of GF2-F12 are radically improved relative to GF2: the performance of GF2-F12/aug-cc-pVDZ is better than that of GF2/aug-cc-pVQZ, at a significantly lower cost.

  1. Communication: Explicitly correlated formalism for second-order single-particle Green's function

    Science.gov (United States)

    Pavošević, Fabijan; Peng, Chong; Ortiz, J. V.; Valeev, Edward F.

    2017-09-01

    We present an explicitly correlated formalism for the second-order single-particle Green's function method (GF2-F12) that does not assume the popular diagonal approximation and describes the energy dependence of the explicitly correlated terms. For small and medium organic molecules, the basis set errors of ionization potentials of GF2-F12 are radically improved relative to GF2: the performance of GF2-F12/aug-cc-pVDZ is better than that of GF2/aug-cc-pVQZ, at a significantly lower cost.

  2. Preliminary functional MRI neural correlates of executive functioning and empathy in children with obstructive sleep apnea.

    Science.gov (United States)

    Kheirandish-Gozal, Leila; Yoder, Keith; Kulkarni, Richa; Gozal, David; Decety, Jean

    2014-03-01

    Pediatric obstructive sleep apnea (OSA) is associated with neurocognitive deficits. However, the neural substrates underlying such deficits remain unknown. To examine executive control and emotional processing in OSA, 10 children age 7 to 11 y with polysomnographically diagnosed OSA and 7 age- and sex-matched controls underwent a color-word Stroop task and an empathy task consisting of dynamic visual scenarios depicting interpersonal harm or neutral actions in a magnetic resonance imaging (MRI) scanner. Functional MRI data were processed using MATLAB 7.12 with SPM8 for region of interest (ROI) analyses, and a general linear model was used with regressors for each trial type in each task. For the Stroop task, accuracy was similar in the two groups, with no differences in the effect of incongruency on success rates. OSA showed greater neural activity than controls in eight ROI clusters for incongruent versus congruent trials (P sleep apnea (OSA) in children. Children with OSA show greater neural recruitment of regions implicated in cognitive control, conflict monitoring, and attentional allocation in order to perform at the same level as children without OSA. When viewing empathy-eliciting scenarios, the severity of OSA predicted less sensitivity to harm in the left amygdala.

  3. Using amino acid correlation and community detection algorithms to identify functional determinants in protein families.

    Directory of Open Access Journals (Sweden)

    Lucas Bleicher

    Full Text Available Correlated mutation analysis has a long history of interesting applications, mostly in the detection of contact pairs in protein structures. Based on previous observations that, if properly assessed, amino acid correlation data can also provide insights about functional sub-classes in a protein family, we provide a complete framework devoted to this purpose. An amino acid specific correlation measure is proposed, which can be used to build networks summarizing all correlation and anti-correlation patterns in a protein family. These networks can be submitted to community structure detection algorithms, resulting in subsets of correlated amino acids which can be further assessed by specific parameters and procedures that provide insight into the relationship between different communities, the individual importance of community members and the adherence of a given amino acid sequence to a given community. By applying this framework to three protein families with contrasting characteristics (the Fe/Mn-superoxide dismutases, the peroxidase-catalase family and the C-type lysozyme/α-lactalbumin family, we show how our method and the proposed parameters and procedures are related to biological characteristics observed in these protein families, highlighting their potential use in protein characterization and gene annotation.

  4. Modeling Fractal Structure of Systems of Cities Using Spatial Correlation Function

    CERN Document Server

    Chen, Yanguang

    2016-01-01

    This paper proposes a new method to analyze the spatial structure of urban systems using ideas from fractals. Regarding a system of cities as a set of "particles" distributed randomly on a triangular lattice, we construct a spatial correlation function of cities. Suppose that the spatial correlation follows the power law. It can be proved that the correlation exponent is the second order generalized dimension. The spatial correlation model is applied to the system of cities in China. The results show that the Chinese urban system can be described by the correlation dimension ranging from 1.3 to 1.6. The fractality of self-organized network of cities in both the conventional geographic space and the "time" space is revealed with the empirical evidence. The spatial correlation analysis is significant in that it is applicable to both large and small sizes of samples and can be used to link different fractal dimensions in urban study, including box dimension and radial dimension.

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

    Science.gov (United States)

    Ayala, Helon Vicente Hultmann; Coelho, Leandro dos Santos

    2016-02-01

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

  6. Hidden symmetry of four-point correlation functions and amplitudes in N=4 SYM

    CERN Document Server

    Eden, Burkhard; Korchemsky, Gregory P; Sokatchev, Emery

    2012-01-01

    We study the four-point correlation function of stress-tensor supermultiplets in N=4 SYM using the method of Lagrangian insertions. We argue that, as a corollary of N=4 superconformal symmetry, the resulting all-loop integrand possesses an unexpected complete symmetry under the exchange of the four external and all the internal (integration) points. This alone allows us to predict the integrand of the three-loop correlation function up to four undetermined constants. Further, exploiting the conjectured amplitude/correlation function duality, we are able to fully determine the three-loop integrand in the planar limit. We perform an independent check of this result by verifying that it is consistent with the operator product expansion, in particular that it correctly reproduces the three-loop anomalous dimension of the Konishi operator. As a byproduct of our study, we also obtain the three-point function of two half-BPS operators and one Konishi operator at three-loop level. We use the same technique to work ou...

  7. Correlation between upper limb function and oral health impact in stroke survivors.

    Science.gov (United States)

    da Silva, Fernanda C; da Silva, Daniela F T; Mesquita-Ferrari, Raquel A; Fernandes, Kristianne P S; Bussadori, Sandra K

    2015-07-01

    [Purpose] The aim of the present study was to evaluate the relationship between upper limb impairment and oral health impact in individuals with hemiparesis stemming from a stroke. [Subjects and Methods] The study subjects were conducted with a sample of 27 stroke survivors with complete or partial hemiparesis with brachial or crural predominance. The 14-item short version of the Oral Health Impact Profile was used to evaluate perceptions of oral health. The Brazilian version of the Stroke Specific Quality of Life Scale was used to evaluate perceptions regarding quality of life. [Results] A statistically significant association was found between the upper extremity function subscale of the SSQOL-Brazil and the impact of oral health evaluated using the OHIP-14, with a strong correlation found for the physical pain subscale, moderate correlations with the functional limitation, psychological discomfort, physical disability, social disability and social handicap subscales as well as a weak correlation with the psychological disability subscale. Analyzing the OHIP-14 scores with regard to the impact of oral health on quality of life, the most frequent classification was weak impact, with small rates of moderate and strong impact. [Conclusion] Compromised upper limb function and self-perceived poor oral health, whether due to cultural resignation or functional disability, exert a negative impact on the quality of life of individuals with hemiparesis stemming from a stroke.

  8. White-matter changes correlate with cognitive functioning in Parkinson's disease

    Directory of Open Access Journals (Sweden)

    Rebecca J Theilmann

    2013-04-01

    Full Text Available Diffusion tensor imaging (DTI findings from emerging studies of cortical white-matter integrity in Parkinson’s disease (PD without dementia are inconclusive. When white-matter changes have been found, their relationship to cognitive functioning in PD has not been carefully investigated. To better characterize changes in tissue diffusivity and to understand their functional significance, the present study conducted DTI in 25 PD patients without dementia and 26 controls of similar ages. An automated tract-based DTI method was used. Fractional anisotropy (FA, mean diffusivity (MD, axial diffusivity (AD, and radial diffusivity (RD were analyzed. Neuropsychological measures of executive functioning (working memory, verbal fluency, cognitive flexibility, inhibitory control and visuospatial ability were then correlated with regions of interest that showed abnormal diffusivity in the PD group. We found widespread reductions in FA and increases in MD in the PD group relative to controls. These changes were predominantly related to an increase in RD. Increased AD in the PD group was limited to specific frontal tracks of the right hemisphere, possibly signifying more significant tissue changes. Motor-symptom severity did not correlate with FA. However, different measures of executive functioning and visuospatial ability correlated with FA in different segments of tracts, which contain fiber pathways to cortical regions that are thought to support specific cognitive processes. The findings suggest that abnormal tissue diffusivity may be sensitive to subtle cognitive changes in PD, some of which may be prognostic of future cognitive decline.

  9. Latent profile analysis in frontotemporal lobar degeneration and related disorders: clinical presentation and SPECT functional correlates

    Directory of Open Access Journals (Sweden)

    Di Luca Monica

    2007-05-01

    Full Text Available Abstract Background Frontotemporal Lobar Degeneration (FTLD thus recently renamed, refers to a spectrum of heterogeneous conditions. This same heterogeneity of presentation represents the major methodological limit for the correct evaluation of clinical designation and brain functional correlates. At present, no study has investigated clinical clusters due to specific cognitive and behavioural disturbances beyond current clinical criteria. The aim of this study was to identify clinical FTLD presentation, based on cognitive and behavioural profile, and to define their SPECT functional correlations. Methods Ninety-seven FTLD patients entered the study. A clinical evaluation and standardised assessment were preformed, as well as a brain SPECT perfusion imaging study. Latent Profile Analysis on clinical, neuropsychological, and behavioural data was performed. Voxel-basis analysis of SPECT data was computed. Results Three specific clusters were identified and named "pseudomanic behaviour" (LC1, "cognitive" (LC2, and "pseudodepressed behaviour" (LC3 endophenotypes. These endophenotypes showed a comparable hypoperfusion in left temporal lobe, but a specific pattern involving: medial and orbitobasal frontal cortex in LC1, subcortical brain region in LC2, and right dorsolateral frontal cortex and insula in LC3. Conclusion These findings provide evidence that specific functional-cluster symptom relationship can be delineated in FTLD patients by a standardised assessment. The understanding of the different functional correlates of clinical presentations will hopefully lead to the possibility of individuating diagnostic and treatment algorithms.

  10. Intraoperative Frontal Alpha-Band Power Correlates with Preoperative Neurocognitive Function in Older Adults

    Directory of Open Access Journals (Sweden)

    Charles M. Giattino

    2017-05-01

    Full Text Available Each year over 16 million older Americans undergo general anesthesia for surgery, and up to 40% develop postoperative delirium and/or cognitive dysfunction (POCD. Delirium and POCD are each associated with decreased quality of life, early retirement, increased 1-year mortality, and long-term cognitive decline. Multiple investigators have thus suggested that anesthesia and surgery place severe stress on the aging brain, and that patients with less ability to withstand this stress will be at increased risk for developing postoperative delirium and POCD. Delirium and POCD risk are increased in patients with lower preoperative cognitive function, yet preoperative cognitive function is not routinely assessed, and no intraoperative physiological predictors have been found that correlate with lower preoperative cognitive function. Since general anesthesia causes alpha-band (8–12 Hz electroencephalogram (EEG power to decrease occipitally and increase frontally (known as “anteriorization”, and anesthetic-induced frontal alpha power is reduced in older adults, we hypothesized that lower intraoperative frontal alpha power might correlate with lower preoperative cognitive function. Here, we provide evidence that such a correlation exists, suggesting that lower intraoperative frontal alpha power could be used as a physiological marker to identify older adults with lower preoperative cognitive function. Lower intraoperative frontal alpha power could thus be used to target these at-risk patients for possible therapeutic interventions to help prevent postoperative delirium and POCD, or for increased postoperative monitoring and follow-up. More generally, these results suggest that understanding interindividual differences in how the brain responds to anesthetic drugs can be used as a probe of neurocognitive function (and dysfunction, and might be a useful measure of neurocognitive function in older adults.

  11. The embodied mind: A review on functional genomic and neurological correlates of mind-body therapies.

    Science.gov (United States)

    Muehsam, David; Lutgendorf, Susan; Mills, Paul J; Rickhi, Badri; Chevalier, Gaétan; Bat, Namuun; Chopra, Deepak; Gurfein, Blake

    2017-02-01

    A broad range of mind-body therapies (MBTs) are used by the public today, and a growing body of clinical and basic sciences research has resulted in evidence-based integration of many MBTs into clinical practice. Basic sciences research has identified some of the physiological correlates of MBT practices, leading to a better understanding of the processes by which emotional, cognitive and psychosocial factors can influence health outcomes and well-being. In particular, results from functional genomics and neuroimaging describe some of the processes involved in the mind-body connection and how these can influence health outcomes. Functional genomic and neurophysiological correlates of MBTs are reviewed, detailing studies showing changes in sympathetic nervous system activation of gene transcription factors involved in immune function and inflammation, electroencephalographic and neuroimaging studies on MBT practices, and persistent changes in neural function and morphology associated with these practices. While the broad diversity of study designs and MBTs studied presents a patchwork of results requiring further validation through replication and longitudinal studies, clear themes emerge for MBTs as immunomodulatory, with effects on leukocyte transcription and function related to inflammatory and innate immune responses, and neuromodulatory, with effects on brain function and morphology relevant for attention, learning, and emotion regulation. By detailing the potential mechanisms of action by which MBTs may influence health outcomes, the data generated by these studies have contributed significantly towards a better understanding of the biological mechanisms underlying MBTs. Copyright © 2016 Elsevier Ltd. All rights reserved.

  12. Correlation between functional independence and quality of life of patients with amyotrophic lateral sclerosis

    Directory of Open Access Journals (Sweden)

    Nathalia Priscilla Oliveira Silva

    2014-12-01

    Full Text Available Functional independence and quality of life are impacted by amyotrophic lateral sclerosis (ALS, a degenerative and progressive disease. The aim of this study was to investigate the functional independence and quality of life of patients with ALS in the municipality of Natal, Rio Grande do Norte state, Brazil. This is a cross-sectional observational study conducted with 24 patients. The Amyotrophic Lateral Sclerosis Assessment Questionnaire (ALSAQ-40/BR and the Functional Independence Measure (FIM were used as evaluation instruments. The data were analyzed through the Spearman’s correlation and Mann-Whitney tests. The individuals investigated presented modified functional dependence in the FIM, with mean of 64.9±20.5, and alteration in all areas of the ALSAQ-40/ BR. There was significant inverse correlation between FIM and the ALSAQ-40/BR areas of “Mobility” (p<0.01, “Activities of Daily Living (DLAs” (p<0.01, “Eating ability” (p=0.02, and “Communication” (p<0.01, but not in the domain of “Emotional Aspect”. Despite the reduced sample, all patients presented reduction in functional independence and quality of life. The use of these instruments may be a tool to assist the elaboration of intervention plans and interdisciplinary treatment, contributing to retard functional dependence and improve the quality of life of these patients.

  13. Metabolic correlates of general cognitive function in nondemented elderly subjects: an FDG PET study

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Sang Soo; Kwak, Young Bin; Lee, Eun Ju; Ryu, Chang Hyung; Chey, Jean Yung; Kim, Sang Eun [Seoul National University College of Medicine, Seoul (Korea, Republic of)

    2004-07-01

    While many studies examined the neural correlates of individual cognitive functions, few made efforts to identify the neural networks associated with general cognitive function. General cognitive function decline in the elderly population is not infrequent. This study examined the brain areas associated with general cognitive function in the elderly subjects. Community-dwelling 116 elderly subjects without dementing illnesses (age, 71{+-}5 y; 13 males and 103 females) participated. General cognitive ability was assessed with the Dementia Rating Scale (K-DRS), which is composed of five subtests of attention, initiation and perseveration, construction, conceptualization, and memory. The EVLT (Elderly Verbal Learning Test), a nine-word list learning test, was used for general memory assessment. Brain FDG PET scans were acquired in all subjects. Brain regions where metabolic levels are correlated with the total scores of K-DRS and EVLT were examined using SPM99. There was a significant positive correlation (P < 0.01 uncorrected, k=100) between the total score of K-DRS and glucose metabolism in the bilateral posterior cingulate gyri, bilateral inferior frontal gyri, left caudate, left inferior parietal lobule, right precuneus, bilateral unci, right parahippocampal gyrus, and right anterior cingulate gyrus. A significant positive correlation between the total score of EVLT and glucose metabolism was shown in the right precuneus, right posterior cingulate gyrus, left insula, bilateral inferior parietal lobules, left anterior cingulate gyrus, left caudate, right inferior frontal gyrus (P < 0.01 uncorrected, k=100). Our data showed the brain regions that are associated with general cognitive function in the elderly. Those regions may serve as the neural substrated of cognitive dysfunction associated with neurodegenerative and cerebrovascular diseases in elderly subjects.

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

    Science.gov (United States)

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

    2015-05-01

    Pancreas transplantation is a successful treatment for a selected group of people with type 1 diabetes. Continued insulin production can decrease over time and identifying predictors of long-term graft function is key to improving survival. The aim of this study was to screen subjects for variation in the Caveolin-1 gene (Cav1), previously shown to correlate with long-term kidney transplant function. We genotyped 435 pancreas transplant donors and 431 recipients who had undergone pancreas transplantation at the Oxford Transplant Centre, UK, for all known common variation in Cav1. Death-censored cumulative events were analyzed using Kaplan-Meier and Cox regression. Unlike kidney transplantation, the rs4730751 variant in our pancreas donors or transplant recipients did not correlate with long-term graft function (p = 0.331-0.905). Presence of rs3801995 TT genotype (p = 0.009) and rs9920 CC/CT genotype (p = 0.010) in our donors did however correlate with reduced long-term graft survival. Multivariate Cox regression (adjusted for donor and recipient transplant factors) confirmed the association of rs3801995 (p = 0.009, HR = 1.83;[95% CI = 1.16-2.89]) and rs9920 (p = 0.037, HR = 1.63; [95% CI = 1.03-2.73]) with long-term graft function. This is the first study to provide evidence that donor Cav1 genotype correlates with long-term pancreas graft function. Screening Cav1 in other datasets is required to confirm these pilot results. © Copyright 2015 The American Society of Transplantation and the American Society of Transplant Surgeons.

  15. Benefits of whole-body vibration training on arterial function and muscle strength in young overweight/obese women.

    Science.gov (United States)

    Alvarez-Alvarado, Stacey; Jaime, Salvador J; Ormsbee, Michael J; Campbell, Jeremiah C; Post, Joy; Pacilio, Jacob; Figueroa, Arturo

    2017-05-01

    The early arterial dysfunction linked with obesity and a sedentary lifestyle heightens the likelihood of suffering from future cardiovascular events. Whole-body vibration training (WBVT) may improve systemic arterial stiffness (brachial-ankle pulse wave velocity (baPWV)) and muscle strength in pre- and post-menopausal women. However, the effectiveness of WBVT to impact the arterial segments included in baPWV is unknown. The aim of this study was to investigate the effects of WBVT on aortic and leg arterial stiffness in young sedentary overweight/obese women. Thirty-eight young (21 years) overweight/obese women were randomized to WBVT (n=25) or a nonexercising control (CON, n=13) groups for 6 weeks. PWV, brachial and aortic blood pressures (BP), wave reflection (augmentation index (AIx)) and leg muscle strength measurements were acquired before and after 6 weeks. WBVT significantly reduced carotid-femoral PWV (aortic stiffness, Pobese women. WBVT may be an effective intervention toward vascular health promotion and prevention in young overweight/obese women (ClinicalTrials.gov identifier: NCT02679898).

  16. Description and Reconstruction of Soil Structure Using Correlation Functions: Morphological and Pore-Scale Modeling Study

    Science.gov (United States)

    Karsanina, M.; Gerke, K.; Vasilyev, R.; Skvortsova, E. B.; Korost, D. V.; Mallants, D.

    2013-12-01

    It is now well-established that structure of porous or composite media (i.e., distribution of different materials or phases) defines all physical properties, including multi-phase flow and solute transport. To characterize soil structure conventional soil science uses such metrics as grain size distribution, morphology or numerous classifications. However, all these descriptors provide only limited and often qualitative information about structural properties, cannot be used to reconstruct real structure or predict physical properties. With the progress of modern non-destructive analysis tools we can obtain detailed 3D structure information and use it for calculation of any physical property. Such 3D data is a valuable verification dataset to check the usefulness of soil structure description using stochastic measures such as correlation functions. Any potential soil structure descriptor should possess two main features: 1) represent structure in some mathematical way, 2) reconstruction based on this mathematical function alone should be statistically equal to the original structure (e.g., have similar pore size distributions, physical properties, etc.). To check the applicability to soil science, we choose different 2D and 3D segmented soil images and calculated their correlation function. The modified Yeong-Torquato procedure was then used to reconstruct images based on calculated correlation functions. This method was applied to three different soil datasets: 1) a set of 2D thin-sections, 2) 3D images of soils with known hydraulic properties (Ksat and WRC), 3) 3D images of soils and aggregates from the same soil profile, but different genetic horizons. In the first case, we use conventional morphological descriptors in 2D original and reconstructed images (pore size, shapes and orientations) to quantify reconstructions quality. In the second case, we use pore-network models extracted from original and reconstructed 3D images to calculate Ksat, WRC and relative

  17. Measurement of the light-field amplitude-correlation function through joint photon-count distributions.

    Science.gov (United States)

    Furcinitti, P.; Kuppenheimer, J. D.; Narducci, L. M.; Tuft , R. A.

    1972-01-01

    When an amplitude-stabilized He-Ne laser beam is scattered by a rotating ground glass with small surface inhomogeneities, the probability density of the instantaneous scattered-wave amplitude is Gaussian. In this paper, we suggest the use of the joint photon-count probability distribution to measure the absolute value of the electric-field amplitude-correlation function for random Gaussian light fields, and report the results of an experiment in which the Gaussian field is produced by scattering a light beam through a rotating ground glass. This procedure offers an alternative to other conventional methods, such as self-beating spectroscopy and irradiance-correlation techniques. The correlation time of the scattered-field amplitude in the present experiment has been measured with an accuracy of approximately 0.8%.

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

    Science.gov (United States)

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

    2014-12-01

    The aim of this study was to elucidate the dimensional structure of posttraumatic stress disorder (PTSD) and potential moderators and functional correlates of this structure in disaster-affected adolescents. A population-based sample of 2000 adolescents aged 12-17 years (M = 14.5 years; 51% female) completed interviews on post-tornado PTSD symptoms, substance use, and parent-adolescent conflict between 4 and 13 months (M = 8.8, SD = 2.6) after tornado exposure. Confirmatory factor analyses revealed that all models fit well but a 5-factor dysphoric arousal model provided a statistically significantly better representation of adolescent PTSD symptoms compared to 4-factor dysphoria and emotional numbing models. There was evidence of measurement invariance of the dysphoric arousal model across gender and age, although girls and older adolescents aged 15-17 years had higher mean scores than boys and younger adolescents aged 12-14 years, respectively, on some PTSD dimensions. Differential magnitudes of association between PTSD symptom dimensions and functional correlates were observed, with emotional numbing symptoms most strongly positively associated with problematic substance use since the tornado, and dysphoric arousal symptoms most strongly positively associated with parent-adolescent conflict; both correlations were significantly larger than the corresponding correlations with anxious arousal. Taken together, these results suggest that the dimensional structure of tornado-related PTSD symptomatology in adolescents is optimally characterized by five separate clusters of re-experiencing, avoidance, numbing, dysphoric arousal, and anxious arousal symptoms, which showed unique associations with functional correlates. Findings emphasize that PTSD in disaster-exposed adolescents is not best conceptualized as a homogenous construct and highlight potential differential targets for post-disaster assessment and intervention. Copyright © 2014 Elsevier Ltd. All rights

  19. Brain perfusion correlates of cognitive and nigrostriatal functions in de novo Parkinson's disease

    Energy Technology Data Exchange (ETDEWEB)

    Nobili, Flavio; Arnaldi, Dario; Campus, Claudio; Ferrara, Michela; Brugnolo, Andrea; Dessi, Barbara; Girtler, Nicola; Rodriguez, Guido [University of Genoa, Clinical Neurophysiology, Department of Neurosciences, Ophthalmology and Genetics, Genoa (Italy); De Carli, Fabrizio [National Research Council, Institute of Molecular Bioimaging and Physiology, Genoa (Italy); Morbelli, Silvia; Sambuceti, Gianmario [University of Genoa, Nuclear Medicine, Department of Internal Medicine, Genoa (Italy); Abruzzese, Giovanni [University Hospital San. Martino, Clinical Neurology, Department of Neurosciences, Ophthalmology and Genetics, Genoa (Italy)

    2011-12-15

    Subtle cognitive impairment is recognized in the first stages of Parkinson's disease (PD), including executive, memory and visuospatial dysfunction, but its pathophysiological basis is still debated. Twenty-six consecutive, drug-naive, de novo PD patients underwent an extended neuropsychological battery, dopamine transporter (DAT) and brain perfusion single photon emission computed tomography (SPECT). We previously reported that nigrocaudate impairment correlates with executive functions, and nigroputaminal impairment with visuospatial abilities. Here perfusion SPECT was first compared between the PD group and age-matched controls (CTR). Then, perfusion SPECT was correlated with both DAT SPECT and four neuropsychological factors by means of voxel-based analysis (SPM8) with a height threshold of p < 0.005 at peak level and p < 0.05 false discovery rate-corrected at cluster level. Both perfusion and DAT SPECT images were flipped in order to have the more affected hemisphere (MAH), defined clinically, on the same side. Significant hypoperfusion was found in an occipital area of the MAH in PD patients as compared to CTR. Executive functions directly correlated with brain perfusion in bilateral posterior cingulate cortex and precuneus in the less affected hemisphere (LAH), while verbal memory directly correlated with perfusion in the precuneus, inferior parietal lobule and superior temporal gyrus in the LAH. Furthermore, positive correlation was highlighted between nigrocaudate and nigroputaminal impairment and brain perfusion in the precuneus, posterior cingulate and parahippocampal gyri of the LAH. These data support the evidence showing an early involvement of the cholinergic system in the early cognitive dysfunction and point to a more relevant role of parietal lobes and posterior cingulate in executive functions in PD. (orig.)

  20. Modeling fractal structure of city-size distributions using correlation functions.

    Science.gov (United States)

    Chen, Yanguang

    2011-01-01

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

  1. Lower Extremity Strength Is Correlated with Walking Function After Incomplete SCI.

    Science.gov (United States)

    DiPiro, Nicole D; Holthaus, Katy D; Morgan, Patrick J; Embry, Aaron E; Perry, Lindsay A; Bowden, Mark G; Gregory, Chris M

    2015-01-01

    Lower extremity strength has been reported to relate to walking ability, however, the relationship between voluntary lower extremity muscle function as measured by isokinetic dynamometry and walking have not been thoroughly examined in individuals with incomplete spinal cord injury (iSCI). To determine the extent to which measures of maximal voluntary isometric contraction (MVIC) and rate of torque development (RTD) in the knee extensor (KE) and plantar flexor (PF) muscle groups correlate with self-selected overground walking speed and spatiotemporal characteristics of walking. Twenty-two subjects with chronic (>6 months) iSCI participated in a cross-sectional study. Values for MVIC and RTD in the KE and PF muscle groups were determined by isokinetic dynamometry. Walking speed and spatiotemporal characteristics of walking were measured during overground walking. MVIC in the KE and PF muscle groups correlated significantly with walking speed. RTD was significantly correlated with walking speed in both muscle groups, the more-involved PF muscle group showing the strongest correlation with walking speed (r = 0.728). RTD in the KE and PF muscle groups of the more-involved limb was significantly correlated with single support time of the more-involved limb. These data demonstrate that lower extremity strength is associated with walking ability after iSCI. Correlations for the muscle groups of the move-involved side were stronger compared to the less-involved limb. In addition, PF function is highlighted as a potential limiting factor to walking speed along with the importance of RTD.

  2. Correlation Functions of Harish-Chandra Integrals over the Orthogonal and the Symplectic Groups

    Science.gov (United States)

    Prats Ferrer, A.; Eynard, B.; di Francesco, P.; Zuber, J.-B.

    2007-12-01

    The Harish-Chandra correlation functions, i.e. integrals over compact groups of invariant monomials prod operatorname{tr}(X^{p1}\\varOmega Y^{q1}\\varOmega^{dagger}X^{p2}\\cdots) with the weight exp tr ( X Ω Y Ω † ) are computed for the orthogonal and symplectic groups. We proceed in two steps. First, the integral over the compact group is recast into a Gaussian integral over strictly upper triangular complex matrices (with some additional symmetries), supplemented by a summation over the Weyl group. This result follows from the study of loop equations in an associated two-matrix integral and may be viewed as the adequate version of Duistermaat-Heckman's theorem for our correlation function integrals. Secondly, the Gaussian integration over triangular matrices is carried out and leads to compact determinantal expressions.

  3. Exact out-of-time-ordered correlation functions for an interacting lattice fermion model

    CERN Document Server

    Tsuji, Naoto; Ueda, Masahito

    2016-01-01

    An exact solution for local equilibrium and nonequilibrium out-of-time-ordered correlation (OTOC) functions is obtained for a lattice fermion model with on-site interactions, namely the Falicov-Kimball (FK) model, in the large dimensional and thermodynamic limit. Our approach is based on the nonequilibrium dynamical mean-field theory generalized to an extended Kadanoff-Baym contour. We find that the OTOC is enhanced at intermediate coupling around the metal-insulator phase transition, implying that the system is most scrambled in that regime. In the high-temperature limit, the OTOC remains nontrivially finite, even though dynamical charge correlations probed by an ordinary response function are suppressed. We propose an experiment to measure OTOCs of fermionic lattice systems including the FK and Hubbard models in ultracold atomic systems.

  4. Correlated basis functions theory of light nuclei. Pt. 1. General description and ground states

    Energy Technology Data Exchange (ETDEWEB)

    Bosca, M.C.; Guardiola, R.

    1988-01-18

    The correlated basis functions theory is applied to the description of light (p-shell) nuclei. The interaction used is the Reid potential, in the V8 (central, spin, tensor and spin-orbit) and V6 (no spin-orbit term) forms. Our work includes state-dependent correlation functions, and their radial components are determined by solving the corresponding Euler-Lagrange equations with a healing condition at distance d and with a null derivative; in addition, we impose the sequential condition or the Pauli condition so as to insure convergence. We present results corresponding to the ground state of all nuclei in the p-shell. Our results present a good qualitative behaviour, but are in clear disagreement with experimental values.

  5. [Correlation Between Functional Groups and Radical Scavenging Activities of Acidic Polysaccharides from Dendrobium].

    Science.gov (United States)

    Liao, Ying; Yuan, Wen-yu; Zheng, Wen-ke; Luo, Ao-xue; Fan, Yi-jun

    2015-11-01

    To compare the radical scavenging activity of five different acidic polysaccharides, and to find the correlation with the functional groups. Alkali extraction method and Stepwise ethanol precipitation method were used to extract and concentrate the five Dendrobium polysaccharides, and to determine the contents of sulfuric acid and uronic acid of each kind of acidic polysaccharides, and the scavenging activity to ABTS+ radical and hydroxyl radical. Functional group structures were examined by FTIR Spectrometer. Five kinds of Dendrobium polysaccharides had different ability of scavenging ABTS+ free radical and hydroxyl free radical. Moreover, the study had shown that five kinds of antioxidant activity of acidic polysaccharides had obvious correlation withuronic acid and sulfuric acid. The antioxidant activity of each sample was positively correlated with the content of uronic acid, and negatively correlated with the content of sulfuric acid. Sulfuric acid can inhibit the antioxidant activity of acidic polysaccharide but uronic acid can enhance the free radical scavenging activity. By analyzing the structure characteristics of five acidic polysaccharides, all samples have similar structures, however, Dendrobium denneanum, Dendrobium devonianum and Dendrobium officinale which had β configuration have higher antioxidant activity than Dendrobium nobile and Dendrobium fimbriatum which had a configuration.

  6. CT quantification of large opacities and emphysema in silicosis: correlations among clinical, functional, and radiological parameters.

    Science.gov (United States)

    de Castro, Marcos César Santos; Ferreira, Angela Santos; Irion, Klaus Loureiro; Hochhegger, Bruno; Lopes, Agnaldo José; Velarde, Guilhermo Coca; Zanetti, Gláucia; Marchiori, Edson

    2014-08-01

    The assessment of the extent of silicosis on chest radiographs is subjective and could be more standardized by using computed tomography (CT) quantification methods. We propose a semiautomatic method of quantifying the anatomical lung damage (LD) (the sum of the emphysema and large opacities volumes) measured by CT densitovolumetry in complicated silicosis. Twenty-three nonsmokers with complicated silicosis were included. Large opacities were recorded as size A, B, or C according to the size of the opacities on chest radiographs. Pulmonary function tests (PFT) were assessed by spirometry and the carbon monoxide diffusion capacity. Total lung capacity (TLC) was measured by helium dilution, and total lung volume (TLV) was measured by CT quantification (TLVct). CT images were postprocessed using CT densitovolumetry to measure the TLVct, large opacities volume, emphysema volume (EV), and emphysema index (EI). Significant correlations were observed between the EV and the forced vital capacity (r = 0.41, p = 0.04), TLC (r = 0.44, p = 0.03), and residual volume (RV) (r = 0.49, p = 0.01). A correlation also was observed between the LD% and RV (r = 0.43, p = 0.03) and between the LD and RV (r = 0.47, p = 0.02). The PFT findings were correlated with the EV, EI, LD, and LD%, but they were not correlated with the large opacities volume. These results suggest that the emphysema volume, more than the large opacities volume, is responsible for functional impairment in patients with complicated silicosis.

  7. Correlation between motor function recovery and daily living activity outcomes after brachial plexus surgery

    Directory of Open Access Journals (Sweden)

    Sonia Regina Ferreira

    Full Text Available ABSTRACT Objective To establish the correlation between clinical evaluation of motor function recovery and daily living activities in 30 patients with upper traumatic brachial plexus injury submitted to surgery. Methods The score of the Disabilities of the Arm, Shoulder and Hand (DASH questionnaire and the Louisiana State University Health Sciences Center (LSUHSC scale were determined in 30 patients. Epidemiologic factors were also examined and correlations were determined. Results There was a significant correlation between the clinical evaluation and the daily living activities after a 12-month period (r = 0.479 and p = 0.007. A direct correlation was observed between the functional recovery of the upper limb and the time between injury and surgery (r = 0.554 and p = 0.001. The LSUHSC scores (p = 0.049 and scores from the DASH questionnaire (p = 0.013 were better among patients who returned to work. Conclusions Clinical evaluation and daily living activities in adult patients who underwent nerve transfer after brachial plexus injury showed significant and measurable improvements.

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

    Science.gov (United States)

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

    2012-01-01

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

  9. Correlations of cerebral blood flow with language function in aphasic patients following cerebral infarction

    Energy Technology Data Exchange (ETDEWEB)

    Yokoyama, Eriko; Nagata, Ken; Uemura, Kazuo [Research Inst. for Brain and Blood Vessels, Akita (Japan)

    1997-04-01

    To elucidate the participation of the brain regions in language function, cerebral blood flow (CBF) which were measured with positron emission tomography (PET) were compared with the language scores based on the standard language test for aphasics in 97 right-handed patients with aphasia due to cerebral infarction. PET studies were performed on 71.4{+-}107.3 days after onset. By the linear regression analysis, the aphasic scores were correlated with the regional CBF from 55 brain regions. CBF from the left frontal, left temporal, and left parietal lobes significantly correlated with language scores of auditory comprehension, speaking, reading, writing, calculation, and repetition. Highly significant correlation was obtained from the left posterior inferior frontal, superior temporal, supramarginal and angular gyri. CBF from the right inferior frontal, right superior temporal, right parahippocampal and right anterior cingulate gyri also correlated with the auditory comprehension, speaking and reading. Accordingly, in addition to the classical language areas which play an essential roles in language function, the extensive areas in the left hemisphere and some part of the right hemisphere may be related to the language processing and recovery from aphasia. (author)

  10. Phosphorylated Neurofilament Heavy Chain Correlations to Visual Function, Optical Coherence Tomography, and Treatment

    Science.gov (United States)

    Pasol, Joshua; Feuer, William; Yang, Cui; Shaw, Gerry; Kardon, Randy; Guy, John

    2010-01-01

    Objective. To correlate visual and neurologic clinical scores and treatment of optic neuritis and multiple sclerosis (MS) patients with assays of serum phosphorylated neurofilament heavy chain (pNF-H) and optical coherence tomography (OCT) measurements of axonal loss. Design/Methods. The Optic Neuritis Treatment Trial (ONTT) randomized 457 patients with acute optic neuritis to intravenous methylprednisolone (IVMP) followed by oral prednisone, oral prednisone or placebo treatment arms. We quantified serum pNF-H levels in 175 ONTT patients 5 years after study entry. We performed OCT measurements of macular volume and the retinal nerve fiber layer (RNFL) in a subset of 51 patients at year 15. Results. Elevated pNF-H levels at year 5 correlated to poorer visual function at study entry. Lower 15 year macular volumes and RNFL thickness correlated better with follow-up than with baseline visual function measures. With IVMP treatment, 15 year RNFL differences of the fellow eye (FE) minus the affected eye (SE) RNFLFEmSE correlated with five-year pNF-H levels. PNF-H was reduced by half with IVMP relative to placebo or by 40% relative to prednisone. Conclusions/Relevance. Acute optic neuritis patients who have more severe visual loss during initial presentation have a higher incidence of axonal loss that was slightly suppressed with IVMP treatment. PMID:22096624

  11. Forces for structural optimizations in correlated materials within a DFT+embedded DMFT functional approach

    Science.gov (United States)

    Haule, Kristjan; Pascut, Gheorghe L.

    2016-11-01

    We implemented the derivative of the free energy functional with respect to the atom displacements, so called force, within the combination of density functional theory and the embedded dynamical mean-field theory. We show that in combination with the numerically exact quantum Monte Carlo (MC) impurity solver, the MC noise cancels to a great extend, so that the method can be used very efficiently for structural optimization of correlated electron materials. As an application of the method, we show how strengthening of the fluctuating moment in FeSe superconductor leads to a substantial increase of the anion height, and consequently to a very large effective mass, and also strong orbital differentiation.

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

    Science.gov (United States)

    Novaes, Marcel

    2015-06-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Novaes, Marcel [Instituto de Física, Universidade Federal de Uberlândia, Ave. João Naves de Ávila, 2121, Uberlândia, MG 38408-100 (Brazil)

    2015-06-15

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

  14. Functional Capacity, Cognitive Impairment and Depression in Elderly Institucionalizated: Possibility of Relation and Correlation

    Directory of Open Access Journals (Sweden)

    Edvaldo Soares

    2013-06-01

    Full Text Available This research was aimed to survey depressive episodes, functional and cognitive decline of an elderly population residing nursing homes (NH located at Marília, São Paulo, Brazil, and, from statistical analysis, verify the potential correlations between depressive episodes, functional and cognitive decline, amongst themselves and with the variables: age, gender and education. There were subject to the research 57 elders living in the NH, aged between 59 and 98 and both sexes. The following tools were used to collect data: Mini Mental State Exam (MMSE to evaluate cognitive faculty, Barthel Index (BI to evaluate cognitive faculty and Beck Depression Inventory (BDI.

  15. Correlation of spine deformity, lung function, and seat pressure in spina bifida.

    Science.gov (United States)

    Patel, Jayesh; Walker, Janet L; Talwalkar, Vishwas R; Iwinski, Henry J; Milbrandt, Todd A

    2011-05-01

    Spinal deformity, a common problem in children with myelodysplasia, is associated with alterations in pulmonary function and sitting balance. Sitting imbalance causes areas of high pressure in patients already at high risk for developing pressure ulcers due to insensate skin. We asked: Does spinal deformity affect pulmonary function tests in children with myelodysplasia? Does the magnitude of spinal curvatures and pelvic obliquity affect seating pressures? Does spinal deformity and seated pressures correlate with a history of pressure ulcers? We retrospectively reviewed 32 patients with myelodysplasia and scoliosis (mean age, 14 years). The mean thoracic scoliosis was 64° with a mean pelvic obliquity of 15°. The mean forced vital capacity was 59% of predicted. The mean of the average and peak seated pressures were 24 and 137 mm Hg, respectively. We examined spinal radiographs, pulmonary function tests, and seated pressure maps and evaluated correlations of spinal deformity measures, pulmonary function, and seated pressures. The thoracic scoliosis inversely correlated with lung volume and weakly related with only the forced midexpiratory volume parameter (R(2) = 31%). The curve magnitude was associated with % seated area with pressures of 38 to 70 mm Hg while lesser degrees of pelvic obliquity were associated with % seating area with pressures of less than 38 mm Hg (R(2) = 25% and 24%, respectively). A history of pressure ulcers did not correlate with any spinal deformity or seated pressure measures. All patients displayed a reduced forced vital capacity, but this reduction was not related to increasing scoliosis. The smaller scoliosis curves and lesser degrees of pelvic obliquity were associated with larger areas of low seated pressures.

  16. Brain functional networks. Correlation analysis with clinical indexes in patients with diabetic retinopathy

    Energy Technology Data Exchange (ETDEWEB)

    Dai, Hui; Zhang, Yu; Hu, Su; Wang, Ximing; Li, Yonggang; Hu, Chunhong [The First Affiliated Hospital of Soochow University, Department of Radiology, Suzhou, Jiangsu (China); Lai, Lillian [LAC+USC Medical Center, Department of Neuroradiology, Los Angeles, CA (United States); Shen, Hailin [Suzhou Kowloon Hospital, Shanghai Jiao Tong University Medical School, Department of Radiology, Suzhou, Jiangsu (China)

    2017-11-15

    The relationship between parameters of brain functional networks and clinical indexes is unclear so far in patients with diabetic retinopathy (DR). This paper is to investigate this. Twenty-one patients with different grades of DR and 21 age- and sex-matched healthy controls were enrolled from August 2012 to September 2014. The clinical indexes recorded included DR grade, duration of diabetes, HbA1c, diabetic foot screen, fasting plasma glucose, insulin, Homa-β, Homa-IR, insulin sensitive index (ISI), Mini-Mental State Examination (MMSE), and patient sex and age. Subjects were scanned using 3-T MR with blood-oxygen-level-dependent and 3D-FSPGR sequences. MR data was analyzed via preprocessing and functional network construction, and quantified indexes of network (clustering coefficient, characteristic path length, global efficiency, degree distribution, and small worldness) were evaluated. Statistics consisted of ANOVA and correlation. There were significant differences between patients and controls among clustering coefficient, characteristic path length, degree distribution, and small worldness parameters (P < 0.05). MMSE scores negatively correlated with characteristic path length, and Hb1Ac negatively correlated with small worldness. MMSE, duration of diabetes, diabetic foot screen, fasting plasma glucose, insulin, Homa-β, Homa-IR, ISI, DR grade, and patient age, except from Hb1Ac, correlated with degree distribution in certain brain areas. Brain functional networks are altered, specifically in the areas of visual function and cognition, and these alterations may reflect the severity of visual weakness and cognitive decline in DR patients. Moreover, the brain networks may be affected both by long-standing and instant clinical factors. (orig.)

  17. Thalamo-Sensorimotor Functional Connectivity Correlates with World Ranking of Olympic, Elite, and High Performance Athletes

    Directory of Open Access Journals (Sweden)

    Zirui Huang

    2017-01-01

    Full Text Available Brain plasticity studies have shown functional reorganization in participants with outstanding motor expertise. Little is known about neural plasticity associated with exceptionally long motor training or of its predictive value for motor performance excellence. The present study utilised resting-state functional magnetic resonance imaging (rs-fMRI in a unique sample of world-class athletes: Olympic, elite, and internationally ranked swimmers (n=30. Their world ranking ranged from 1st to 250th: each had prepared for participation in the Olympic Games. Combining rs-fMRI graph-theoretical and seed-based functional connectivity analyses, it was discovered that the thalamus has its strongest connections with the sensorimotor network in elite swimmers with the highest world rankings (career best rank: 1–35. Strikingly, thalamo-sensorimotor functional connections were highly correlated with the swimmers’ motor performance excellence, that is, accounting for 41% of the individual variance in best world ranking. Our findings shed light on neural correlates of long-term athletic performance involving thalamo-sensorimotor functional circuits.

  18. Computer/gaming station use in youth: Correlations among use, addiction and functional impairment.

    Science.gov (United States)

    Baer, Susan; Saran, Kelly; Green, David A

    2012-10-01

    Computer/gaming station use is ubiquitous in the lives of youth today. Overuse is a concern, but it remains unclear whether problems arise from addictive patterns of use or simply excessive time spent on use. The goal of the present study was to evaluate computer/gaming station use in youth and to examine the relationship between amounts of use, addictive features of use and functional impairment. A total of 110 subjects (11 to 17 years of age) from local schools participated. Time spent on television, video gaming and non-gaming recreational computer activities was measured. Addictive features of computer/gaming station use were ascertained, along with emotional/behavioural functioning. Multiple linear regressions were used to understand how youth functioning varied with time of use and addictive features of use. Mean (± SD) total screen time was 4.5±2.4 h/day. Addictive features of use were consistently correlated with functional impairment across multiple measures and informants, whereas time of use, after controlling for addiction, was not. Youth are spending many hours each day in front of screens. In the absence of addictive features of computer/gaming station use, time spent is not correlated with problems; however, youth with addictive features of use show evidence of poor emotional/ behavioural functioning.

  19. Correlation functions for three-dimensional quantum dots from Diffusion Monte Carlo simulations

    Science.gov (United States)

    Vincent, Jordan; Wilkens, Tim; Martin, Richard

    2002-03-01

    We report diffusion Monte Carlo (DMC) simulations of interacting electrons in spherical and cylindrical quasi-2D quantum dots [1] to determine the low energy spin states and to search for transitions to "Wigner molecule" or "spin wave" type states that are the analogue of the Wigner crystal that occurs in the low density homogeneous gas [2] or an anitferromagnet. All calculations are performed at zero magnetic field. Our fixed-node DMC uses trial wavefunction of the Slater-Jastrow type, with orbitals obtained from density functional theory calculations using the LDA or the KLI approximation to exact exchange (which is very close to Hartree-Fock). Since such mean-field calculations lead to broken symmetry solutions, we use multiple determinant trial functions that properly restore the symmetry. Simulations of the density profile and correlation functions in the correlated system show that formation of Wigner molecule or spin wave type correlations are significantly reduced from those inferred from the mean field solutions. The effect of including the thrid dimension in the simulations of the quasi-2D systems is elucidated by comparing with analogous DMC calculations of Pederiva, Umrigar and Lipparini [3] for the same area density and 2D confining potential. [1] See, for example R. C. Ashoori, Nature 379, 413 (1996). [2] B. Tanatar and D. M. Ceperley, Phys. Rev. B 39, 5005 (1989). [3] F. Pederiva, C. J. Umrigar, and E. Lipparini, Phys. Rev. B 62, 8120 (2000).

  20. Joint modeling of genetically correlated diseases and functional annotations increases accuracy of polygenic risk prediction.

    Directory of Open Access Journals (Sweden)

    Yiming Hu

    2017-06-01

    Full Text Available Accurate prediction of disease risk based on genetic factors is an important goal in human genetics research and precision medicine. Advanced prediction models will lead to more effective disease prevention and treatment strategies. Despite the identification of thousands of disease-associated genetic variants through genome-wide association studies (GWAS in the past decade, accuracy of genetic risk prediction remains moderate for most diseases, which is largely due to the challenges in both identifying all the functionally relevant variants and accurately estimating their effect sizes. In this work, we introduce PleioPred, a principled framework that leverages pleiotropy and functional annotations in genetic risk prediction for complex diseases. PleioPred uses GWAS summary statistics as its input, and jointly models multiple genetically correlated diseases and a variety of external information including linkage disequilibrium and diverse functional annotations to increase the accuracy of risk prediction. Through comprehensive simulations and real data analyses on Crohn's disease, celiac disease and type-II diabetes, we demonstrate that our approach can substantially increase the accuracy of polygenic risk prediction and risk population stratification, i.e. PleioPred can significantly better separate type-II diabetes patients with early and late onset ages, illustrating its potential clinical application. Furthermore, we show that the increment in prediction accuracy is significantly correlated with the genetic correlation between the predicted and jointly modeled diseases.