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Sample records for grand canonical molecular

  1. Alternative Hamiltonian for molecular dynamics simulations in the grand canonical ensemble

    International Nuclear Information System (INIS)

    Lo, C.; Palmer, B.

    1995-01-01

    An alternative to the Hamiltonian of Cagin and Pettitt for performing molecular dynamics simulations in the grand canonical ensemble is presented and used as the basis for a new algorithm. The algorithm is tested on the ideal gas and the truncated and shifted Lennard-Jones fluid. Simulations are used to calculate the vapor--liquid coexistence points for the Lennard-Jones system and are found to be in agreement with previous calculations using Gibbs ensemble calculations and with the Nicolas equation of state. Simulations are also performed on the Lennard-Jones solid

  2. The canonical and grand canonical models for nuclear ...

    Indian Academy of Sciences (India)

    Many observables seen in intermediate energy heavy-ion collisions can be explained on the basis of statistical equilibrium. Calculations based on statistical equilibrium can be implemented in microcanonical ensemble, canonical ensemble or grand canonical ensemble. This paper deals with calculations with canonical ...

  3. Enabling grand-canonical Monte Carlo: extending the flexibility of GROMACS through the GromPy python interface module.

    Science.gov (United States)

    Pool, René; Heringa, Jaap; Hoefling, Martin; Schulz, Roland; Smith, Jeremy C; Feenstra, K Anton

    2012-05-05

    We report on a python interface to the GROMACS molecular simulation package, GromPy (available at https://github.com/GromPy). This application programming interface (API) uses the ctypes python module that allows function calls to shared libraries, for example, written in C. To the best of our knowledge, this is the first reported interface to the GROMACS library that uses direct library calls. GromPy can be used for extending the current GROMACS simulation and analysis modes. In this work, we demonstrate that the interface enables hybrid Monte-Carlo/molecular dynamics (MD) simulations in the grand-canonical ensemble, a simulation mode that is currently not implemented in GROMACS. For this application, the interplay between GromPy and GROMACS requires only minor modifications of the GROMACS source code, not affecting the operation, efficiency, and performance of the GROMACS applications. We validate the grand-canonical application against MD in the canonical ensemble by comparison of equations of state. The results of the grand-canonical simulations are in complete agreement with MD in the canonical ensemble. The python overhead of the grand-canonical scheme is only minimal. Copyright © 2012 Wiley Periodicals, Inc.

  4. A Grand Canonical Monte Carlo Molecular Study of a Weak Polyampholyte

    KAUST Repository

    Jimenez, Arturo Martinez

    2016-05-01

    Over the last few decades, there has been an increasing interest in the study of charged polymers for applications such as desalination of water, flocculation, sewage treatment, and enhanced oil recovery. Polyelectrolyte chains containing both positively and negatively charged units (polyampholytes) have been recently studied as viscosity-control agents in enhanced oil recovery, and as entrapping macromolecules for protection and delayed release of enzymes in hydraulic fracturing. In this study we performed Monte Carlo molecular simulations in a grand canonical ensemble to study the behavior of a weak polyampholyte in a dilute regime. Weak polyampholytes have the ability to dissociate in a limited pH, which makes them interesting for applications that require a pH-triggerable response. The titration behaviors of diblock and random polyampholytes are simulated as a function of solvent quality, electrostatic strength, and salt concentration. For diblock polyampholyte chains in hydrophobic solvents, transition between tadpole-like and globule conformation occurs with variations in the solution pH. Random polyampholytes present extended, globule, and pearl-necklace conformations at different solvent conditions and pH values. At high ionic strength, electrostatic interactions in the polyampholytes become screened and the chains are mostly in globule state.

  5. A united event grand canonical Monte Carlo study of partially doped polyaniline

    Energy Technology Data Exchange (ETDEWEB)

    Byshkin, M. S., E-mail: mbyshkin@unisa.it, E-mail: gmilano@unisa.it; Correa, A. [Modeling Lab for Nanostructure and Catalysis, Dipartimento di Chimica e Biologia and NANOMATES, University of Salerno, 84084, via Ponte don Melillo, Fisciano Salerno (Italy); Buonocore, F. [ENEA Casaccia Research Center, Via Anguillarese 301, 00123 Rome (Italy); Di Matteo, A. [STMicroelectronics, Via Remo de Feo, 1 80022 Arzano, Naples (Italy); IMAST Scarl Piazza Bovio 22, 80133 Naples (Italy); Milano, G., E-mail: mbyshkin@unisa.it, E-mail: gmilano@unisa.it [Modeling Lab for Nanostructure and Catalysis, Dipartimento di Chimica e Biologia and NANOMATES, University of Salerno, 84084, via Ponte don Melillo, Fisciano Salerno (Italy); IMAST Scarl Piazza Bovio 22, 80133 Naples (Italy)

    2013-12-28

    A Grand Canonical Monte Carlo scheme, based on united events combining protonation/deprotonation and insertion/deletion of HCl molecules is proposed for the generation of polyaniline structures at intermediate doping levels between 0% (PANI EB) and 100% (PANI ES). A procedure based on this scheme and subsequent structure relaxations using molecular dynamics is described and validated. Using the proposed scheme and the corresponding procedure, atomistic models of amorphous PANI-HCl structures were generated and studied at different doping levels. Density, structure factors, and solubility parameters were calculated. Their values agree well with available experimental data. The interactions of HCl with PANI have been studied and distribution of their energies has been analyzed. The procedure has also been extended to the generation of PANI models including adsorbed water and the effect of inclusion of water molecules on PANI properties has also been modeled and discussed. The protocol described here is general and the proposed United Event Grand Canonical Monte Carlo scheme can be easily extended to similar polymeric materials used in gas sensing and to other systems involving adsorption and chemical reactions steps.

  6. Probing spatial locality in ionic liquids with the grand canonical adaptive resolution molecular dynamics technique

    Science.gov (United States)

    Shadrack Jabes, B.; Krekeler, C.; Klein, R.; Delle Site, L.

    2018-05-01

    We employ the Grand Canonical Adaptive Resolution Simulation (GC-AdResS) molecular dynamics technique to test the spatial locality of the 1-ethyl 3-methyl imidazolium chloride liquid. In GC-AdResS, atomistic details are kept only in an open sub-region of the system while the environment is treated at coarse-grained level; thus, if spatial quantities calculated in such a sub-region agree with the equivalent quantities calculated in a full atomistic simulation, then the atomistic degrees of freedom outside the sub-region play a negligible role. The size of the sub-region fixes the degree of spatial locality of a certain quantity. We show that even for sub-regions whose radius corresponds to the size of a few molecules, spatial properties are reasonably reproduced thus suggesting a higher degree of spatial locality, a hypothesis put forward also by other researchers and that seems to play an important role for the characterization of fundamental properties of a large class of ionic liquids.

  7. Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry

    International Nuclear Information System (INIS)

    Sundararaman, Ravishankar; Goddard, William A. III; Arias, Tomas A.

    2017-01-01

    First-principles calculations combining density-functional theory and continuum solvation models enable realistic theoretical modeling and design of electrochemical systems. When a reaction proceeds in such systems, the number of electrons in the portion of the system treated quantum mechanically changes continuously, with a balancing charge appearing in the continuum electrolyte. A grand-canonical ensemble of electrons at a chemical potential set by the electrode potential is therefore the ideal description of such systems that directly mimics the experimental condition. We present two distinct algorithms: a self-consistent field method and a direct variational free energy minimization method using auxiliary Hamiltonians (GC-AuxH), to solve the Kohn-Sham equations of electronic density-functional theory directly in the grand canonical ensemble at fixed potential. Both methods substantially improve performance compared to a sequence of conventional fixed-number calculations targeting the desired potential, with the GC-AuxH method additionally exhibiting reliable and smooth exponential convergence of the grand free energy. Lastly, we apply grand-canonical density-functional theory to the under-potential deposition of copper on platinum from chloride-containing electrolytes and show that chloride desorption, not partial copper monolayer formation, is responsible for the second voltammetric peak.

  8. Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry

    Science.gov (United States)

    Sundararaman, Ravishankar; Goddard, William A.; Arias, Tomas A.

    2017-03-01

    First-principles calculations combining density-functional theory and continuum solvation models enable realistic theoretical modeling and design of electrochemical systems. When a reaction proceeds in such systems, the number of electrons in the portion of the system treated quantum mechanically changes continuously, with a balancing charge appearing in the continuum electrolyte. A grand-canonical ensemble of electrons at a chemical potential set by the electrode potential is therefore the ideal description of such systems that directly mimics the experimental condition. We present two distinct algorithms: a self-consistent field method and a direct variational free energy minimization method using auxiliary Hamiltonians (GC-AuxH), to solve the Kohn-Sham equations of electronic density-functional theory directly in the grand canonical ensemble at fixed potential. Both methods substantially improve performance compared to a sequence of conventional fixed-number calculations targeting the desired potential, with the GC-AuxH method additionally exhibiting reliable and smooth exponential convergence of the grand free energy. Finally, we apply grand-canonical density-functional theory to the under-potential deposition of copper on platinum from chloride-containing electrolytes and show that chloride desorption, not partial copper monolayer formation, is responsible for the second voltammetric peak.

  9. Grand Canonical Monte Carlo simulations of hydrogen adsorption on aluminophosphate molecular sieves

    Energy Technology Data Exchange (ETDEWEB)

    Song, Mee Kyung [Bioinformatics and Molecular Design Research Center, B138A, Yonsei Engineering Research Complex, Yonsei University, Seoul 120-749 (Korea); No, Kyoung Tai [Department of Biotechnology, College of Life Science and Biotechnology, Yonsei University, Seoul 120-749 (Korea)

    2009-03-15

    The hydrogen adsorption simulations were carried for several model AlPOs (VPI-5, AlPO-5, AlPO-11 and AlPO-25) employing the Grand Canonical Monte Carlo (GCMC) simulations at 77 K to investigate the effect of pore size and the pore volume on the hydrogen uptake. The adsorption capacity showed no relationship with the pore size, surface area and micropore volume of AlPOs. However, the adsorption capacity per unit micropore volume increased as the pore size decreases. The heat of adsorption also increased as the pore size decreases. For all model AlPOs, the hydrogen exists homogeneously near the oxygen atoms in the framework. (author)

  10. A grand-canonical ensemble of randomly triangulated surfaces

    International Nuclear Information System (INIS)

    Jurkiewicz, J.; Krzywicki, A.; Petersson, B.

    1986-01-01

    An algorithm is presented generating the grand-canonical ensemble of discrete, randomly triangulated Polyakov surfaces. The algorithm is used to calculate the susceptibility exponent, which controls the existence of the continuum limit of the considered model, for the dimensionality of the embedding space ranging from 0 to 20. (orig.)

  11. Path integral molecular dynamics within the grand canonical-like adaptive resolution technique: Simulation of liquid water

    Energy Technology Data Exchange (ETDEWEB)

    Agarwal, Animesh, E-mail: animesh@zedat.fu-berlin.de; Delle Site, Luigi, E-mail: dellesite@fu-berlin.de [Institute for Mathematics, Freie Universität Berlin, Berlin (Germany)

    2015-09-07

    Quantum effects due to the spatial delocalization of light atoms are treated in molecular simulation via the path integral technique. Among several methods, Path Integral (PI) Molecular Dynamics (MD) is nowadays a powerful tool to investigate properties induced by spatial delocalization of atoms; however, computationally this technique is very demanding. The above mentioned limitation implies the restriction of PIMD applications to relatively small systems and short time scales. One of the possible solutions to overcome size and time limitation is to introduce PIMD algorithms into the Adaptive Resolution Simulation Scheme (AdResS). AdResS requires a relatively small region treated at path integral level and embeds it into a large molecular reservoir consisting of generic spherical coarse grained molecules. It was previously shown that the realization of the idea above, at a simple level, produced reasonable results for toy systems or simple/test systems like liquid parahydrogen. Encouraged by previous results, in this paper, we show the simulation of liquid water at room conditions where AdResS, in its latest and more accurate Grand-Canonical-like version (GC-AdResS), is merged with two of the most relevant PIMD techniques available in the literature. The comparison of our results with those reported in the literature and/or with those obtained from full PIMD simulations shows a highly satisfactory agreement.

  12. Grand Canonical Ensembles in General Relativity

    International Nuclear Information System (INIS)

    Klein, David; Yang, Wei-Shih

    2012-01-01

    We develop a formalism for general relativistic, grand canonical ensembles in space-times with timelike Killing fields. Using that, we derive ideal gas laws, and show how they depend on the geometry of the particular space-times. A systematic method for calculating Newtonian limits is given for a class of these space-times, which is illustrated for Kerr space-time. In addition, we prove uniqueness of the infinite volume Gibbs measure, and absence of phase transitions for a class of interaction potentials in anti-de Sitter space.

  13. Method of collective variables with reference system for the grand canonical ensemble

    International Nuclear Information System (INIS)

    Yukhnovskii, I.R.

    1989-01-01

    A method of collective variables with special reference system for the grand canonical ensemble is presented. An explicit form is obtained for the basis sixth-degree measure density needed to describe the liquid-gas phase transition. Here the author presents the fundamentals of the method, which are as follows: (1) the functional form for the partition function in the grand canonical ensemble; (2) derivation of thermodynamic relations for the coefficients of the Jacobian; (3) transition to the problem on an adequate lattice; and (4) obtaining of the explicit form for the functional of the partition function

  14. Symmetric minimally entangled typical thermal states for canonical and grand-canonical ensembles

    Science.gov (United States)

    Binder, Moritz; Barthel, Thomas

    2017-05-01

    Based on the density matrix renormalization group (DMRG), strongly correlated quantum many-body systems at finite temperatures can be simulated by sampling over a certain class of pure matrix product states (MPS) called minimally entangled typical thermal states (METTS). When a system features symmetries, these can be utilized to substantially reduce MPS computation costs. It is conceptually straightforward to simulate canonical ensembles using symmetric METTS. In practice, it is important to alternate between different symmetric collapse bases to decrease autocorrelations in the Markov chain of METTS. To this purpose, we introduce symmetric Fourier and Haar-random block bases that are efficiently mixing. We also show how grand-canonical ensembles can be simulated efficiently with symmetric METTS. We demonstrate these approaches for spin-1 /2 X X Z chains and discuss how the choice of the collapse bases influences autocorrelations as well as the distribution of measurement values and, hence, convergence speeds.

  15. Grand Canonical adaptive resolution simulation for molecules with electrons: A theoretical framework based on physical consistency

    Science.gov (United States)

    Delle Site, Luigi

    2018-01-01

    A theoretical scheme for the treatment of an open molecular system with electrons and nuclei is proposed. The idea is based on the Grand Canonical description of a quantum region embedded in a classical reservoir of molecules. Electronic properties of the quantum region are calculated at constant electronic chemical potential equal to that of the corresponding (large) bulk system treated at full quantum level. Instead, the exchange of molecules between the quantum region and the classical environment occurs at the chemical potential of the macroscopic thermodynamic conditions. The Grand Canonical Adaptive Resolution Scheme is proposed for the treatment of the classical environment; such an approach can treat the exchange of molecules according to first principles of statistical mechanics and thermodynamic. The overall scheme is build on the basis of physical consistency, with the corresponding definition of numerical criteria of control of the approximations implied by the coupling. Given the wide range of expertise required, this work has the intention of providing guiding principles for the construction of a well founded computational protocol for actual multiscale simulations from the electronic to the mesoscopic scale.

  16. Grand canonical simulations of hard-disk systems by simulated tempering

    DEFF Research Database (Denmark)

    Döge, G.; Mecke, K.; Møller, Jesper

    2004-01-01

    The melting transition of hard disks in two dimensions is still an unsolved problem and improved simulation algorithms may be helpful for its investigation. We suggest the application of simulating tempering for grand canonical hard-disk systems as an efficient alternative to the commonly......-used Monte Carlo algorithms for canonical systems. This approach allows the direct study of the packing fraction as a function of the chemical potential even in the vicinity of the melting transition. Furthermore, estimates of several spatial characteristics including pair correlation function are studied...

  17. Multivariable extrapolation of grand canonical free energy landscapes

    Science.gov (United States)

    Mahynski, Nathan A.; Errington, Jeffrey R.; Shen, Vincent K.

    2017-12-01

    We derive an approach for extrapolating the free energy landscape of multicomponent systems in the grand canonical ensemble, obtained from flat-histogram Monte Carlo simulations, from one set of temperature and chemical potentials to another. This is accomplished by expanding the landscape in a Taylor series at each value of the order parameter which defines its macrostate phase space. The coefficients in each Taylor polynomial are known exactly from fluctuation formulas, which may be computed by measuring the appropriate moments of extensive variables that fluctuate in this ensemble. Here we derive the expressions necessary to define these coefficients up to arbitrary order. In principle, this enables a single flat-histogram simulation to provide complete thermodynamic information over a broad range of temperatures and chemical potentials. Using this, we also show how to combine a small number of simulations, each performed at different conditions, in a thermodynamically consistent fashion to accurately compute properties at arbitrary temperatures and chemical potentials. This method may significantly increase the computational efficiency of biased grand canonical Monte Carlo simulations, especially for multicomponent mixtures. Although approximate, this approach is amenable to high-throughput and data-intensive investigations where it is preferable to have a large quantity of reasonably accurate simulation data, rather than a smaller amount with a higher accuracy.

  18. pH in Grand Canonical Statistics of an Electrochemical Interface

    DEFF Research Database (Denmark)

    Hansen, Martin Hangaard; Rossmeisl, Jan

    2016-01-01

    We present an atomic-scale model of the electrochemical interface, which unfolds the effects of pH and electrode potential using a generalized computational hydrogen electrode. The liquid structure of the solvent is included with the use of ab initio molecular dynamics to sample thousands...... of microstates with varying numbers of protons and electrons. The grand canonical probability weight function at constant pH and electrode potential is calculated a posteriori. The only inputs to the model are the fundamental assumptions of an equilibrated solvent, charge neutrality of the interface......, and the dimensions of the system. The structures are unbiased outputs, and several atomic-scale quantities are calculated for our model system, water/Au(111), as weighted averages. We present the potentials of zero charge, Gibbs isotherms, and differential capacities as a function of pH. The potential of maximum...

  19. Spatial updating grand canonical Monte Carlo algorithms for fluid simulation: generalization to continuous potentials and parallel implementation.

    Science.gov (United States)

    O'Keeffe, C J; Ren, Ruichao; Orkoulas, G

    2007-11-21

    Spatial updating grand canonical Monte Carlo algorithms are generalizations of random and sequential updating algorithms for lattice systems to continuum fluid models. The elementary steps, insertions or removals, are constructed by generating points in space either at random (random updating) or in a prescribed order (sequential updating). These algorithms have previously been developed only for systems of impenetrable spheres for which no particle overlap occurs. In this work, spatial updating grand canonical algorithms are generalized to continuous, soft-core potentials to account for overlapping configurations. Results on two- and three-dimensional Lennard-Jones fluids indicate that spatial updating grand canonical algorithms, both random and sequential, converge faster than standard grand canonical algorithms. Spatial algorithms based on sequential updating not only exhibit the fastest convergence but also are ideal for parallel implementation due to the absence of strict detailed balance and the nature of the updating that minimizes interprocessor communication. Parallel simulation results for three-dimensional Lennard-Jones fluids show a substantial reduction of simulation time for systems of moderate and large size. The efficiency improvement by parallel processing through domain decomposition is always in addition to the efficiency improvement by sequential updating.

  20. Asymptotic expansion in the local limit theorem for the particle number in the grand canonical ensemble

    International Nuclear Information System (INIS)

    Pogosian, S.

    1981-01-01

    It is known that in the grand canonical ensemble (for the case of small density of particles) the fluctuations (approximately mod(Λ)sup(1/2)) in the particle number have an asymptotic normal distribution as Λ→infinity. A similar statement holds for the distribution of the particle number in a bounded domain evaluated with respect to the limiting Gibbs distribution. The author obtains an asymptotic expansion in the local limit theorem for the particle number in the grand canonical ensemble, by using the asymptotic expansion of the grand canonical partition function. The coefficients of this expansion are not constants but depend on the form of the domain Λ. More precisely, they are constant up to a correction which is small (for large Λ). The author obtains an explicit form for the second term of the asymptotic expansion in the local limit theorem for the particle number, and also gets the first correction terms for the coefficients of this expansion. (Auth.)

  1. Bitcoin Market Volatility Analysis Using Grand Canonical Minority Game

    Directory of Open Access Journals (Sweden)

    Matteo Ortisi

    2016-12-01

    Full Text Available In this paper we propose to use the Grand Canonical Minority Game (GCMG, a highly simplified financial market model as a model of bitcoin market to show how the lack of an income for “miners”, similar to yield earned by bond holders, could be a structural reason for high volatility of bitcoin price in a reference currency. Coherently with present analysis, the introduction of future contracts on bitcoin would have the effect of reducing the overall market volatility.

  2. Taylor-expansion Monte Carlo simulations of classical fluids in the canonical and grand canonical ensemble

    International Nuclear Information System (INIS)

    Schoen, M.

    1995-01-01

    In this article the Taylor-expansion method is introduced by which Monte Carlo (MC) simulations in the canonical ensemble can be speeded up significantly, Substantial gains in computational speed of 20-40% over conventional implementations of the MC technique are obtained over a wide range of densities in homogeneous bulk phases. The basic philosophy behind the Taylor-expansion method is a division of the neighborhood of each atom (or molecule) into three different spatial zones. Interactions between atoms belonging to each zone are treated at different levels of computational sophistication. For example, only interactions between atoms belonging to the primary zone immediately surrounding an atom are treated explicitly before and after displacement. The change in the configurational energy contribution from secondary-zone interactions is obtained from the first-order term of a Taylor expansion of the configurational energy in terms of the displacement vector d. Interactions with atoms in the tertiary zone adjacent to the secondary zone are neglected throughout. The Taylor-expansion method is not restricted to the canonical ensemble but may be employed to enhance computational efficiency of MC simulations in other ensembles as well. This is demonstrated for grand canonical ensemble MC simulations of an inhomogeneous fluid which can be performed essentially on a modern personal computer

  3. Isobars of an ideal Bose gas within the grand canonical ensemble

    International Nuclear Information System (INIS)

    Jeon, Imtak; Park, Jeong-Hyuck; Kim, Sang-Woo

    2011-01-01

    We investigate the isobar of an ideal Bose gas confined in a cubic box within the grand canonical ensemble for a large yet finite number of particles, N. After solving the equation of the spinodal curve, we derive precise formulas for the supercooling and the superheating temperatures that reveal an N -1/3 or N -1/4 power correction to the known Bose-Einstein condensation temperature in the thermodynamic limit. Numerical computations confirm the accuracy of our analytical approximation, and further show that the isobar zigzags on the temperature-volume plane if N≥14 393. In particular, for the Avogadro's number of particles, the volume expands discretely about 10 5 times. Our results quantitatively agree with a previous study on the canonical ensemble within 0.1% error.

  4. Finite temperature grand canonical ensemble study of the minimum electrophilicity principle.

    Science.gov (United States)

    Miranda-Quintana, Ramón Alain; Chattaraj, Pratim K; Ayers, Paul W

    2017-09-28

    We analyze the minimum electrophilicity principle of conceptual density functional theory using the framework of the finite temperature grand canonical ensemble. We provide support for this principle, both for the cases of systems evolving from a non-equilibrium to an equilibrium state and for the change from one equilibrium state to another. In doing so, we clearly delineate the cases where this principle can, or cannot, be used.

  5. Sorption and permeation of gaseous molecules in amorphous and crystalline PPX C membranes: molecular dynamics and grand canonical Monte Carlo simulation studies

    International Nuclear Information System (INIS)

    Bian Liang; Shu Yuan-Jie; Wang Xin-Feng

    2012-01-01

    Amorphous and crystalline poly (chloro-p-xylylene) (PPX C) membranes are constructed by using a novel computational technique, that is, a combined method of NVT+NPT-molecular dynamics (MD) and gradually reducing the size (GRS) methods. The related free volumes are defined as homology clusters. Then the sorption and the permeation of gases in PPX C polymers are studied using grand canonical Monte Carlo (GCMC) and NVT-MD methods. The results show that the crystalline PPX C membranes provide smaller free volumes for absorbing or transferring gases relative to the amorphous PPX C area. The gas sorption in PPX C membranes mainly belongs to the physical one, and H bonds can appear obviously in the amorphous area. By cluster analyzing on the mean square displacement of gases, we find that gases walk along the x axis in the crystalline area and walk randomly in the amorphous area. The calculated permeability coefficients are close to the experimental data. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

  6. Phase transition and thermodynamic geometry of f (R ) AdS black holes in the grand canonical ensemble

    Science.gov (United States)

    Li, Gu-Qiang; Mo, Jie-Xiong

    2016-06-01

    The phase transition of a four-dimensional charged AdS black hole solution in the R +f (R ) gravity with constant curvature is investigated in the grand canonical ensemble, where we find novel characteristics quite different from that in the canonical ensemble. There exists no critical point for T -S curve while in former research critical point was found for both the T -S curve and T -r+ curve when the electric charge of f (R ) black holes is kept fixed. Moreover, we derive the explicit expression for the specific heat, the analog of volume expansion coefficient and isothermal compressibility coefficient when the electric potential of f (R ) AdS black hole is fixed. The specific heat CΦ encounters a divergence when 0 b . This finding also differs from the result in the canonical ensemble, where there may be two, one or no divergence points for the specific heat CQ . To examine the phase structure newly found in the grand canonical ensemble, we appeal to the well-known thermodynamic geometry tools and derive the analytic expressions for both the Weinhold scalar curvature and Ruppeiner scalar curvature. It is shown that they diverge exactly where the specific heat CΦ diverges.

  7. On the calculation of single ion activity coefficients in homogeneous ionic systems by application of the grand canonical ensemble

    DEFF Research Database (Denmark)

    Sloth, Peter

    1993-01-01

    The grand canonical ensemble has been used to study the evaluation of single ion activity coefficients in homogeneous ionic fluids. In this work, the Coulombic interactions are truncated according to the minimum image approximation, and the ions are assumed to be placed in a structureless......, homogeneous dielectric continuum. Grand canonical ensemble Monte Carlo calculation results for two primitive model electrolyte solutions are presented. Also, a formula involving the second moments of the total correlation functions is derived from fluctuation theory, which applies for the derivatives...... of the individual ionic activity coefficients with respect to the total ionic concentration. This formula has previously been proposed on the basis of somewhat different considerations....

  8. Generation of triangulated random surfaces by the Monte Carlo method in the grand canonical ensemble

    International Nuclear Information System (INIS)

    Zmushko, V.V.; Migdal, A.A.

    1987-01-01

    A model of triangulated random surfaces which is the discrete analog of the Polyakov string is considered. An algorithm is proposed which enables one to study the model by the Monte Carlo method in the grand canonical ensemble. Preliminary results on the determination of the critical index γ are presented

  9. Development of particle multiplicity distributions using a general form of the grand canonical partition function

    International Nuclear Information System (INIS)

    Lee, S.J.; Mekjian, A.Z.

    2004-01-01

    Various phenomenological models of particle multiplicity distributions are discussed using a general form of a unified model which is based on the grand canonical partition function and Feynman's path integral approach to statistical processes. These models can be written as special cases of a more general distribution which has three control parameters which are a,x,z. The relation to these parameters to various physical quantities are discussed. A connection of the parameter a with Fisher's critical exponent τ is developed. Using this grand canonical approach, moments, cumulants and combinants are discussed and a physical interpretation of the combinants are given and their behavior connected to the critical exponent τ. Various physical phenomena such as hierarchical structure, void scaling relations, Koba-Nielson-Olesen or KNO scaling features, clan variables, and branching laws are shown in terms of this general approach. Several of these features which were previously developed in terms of the negative binomial distribution are found to be more general. Both hierarchical structure and void scaling relations depend on the Fisher exponent τ. Applications of our approach to the charged particle multiplicity distribution in jets of L3 and H1 data are given

  10. Symmetric minimally entangled typical thermal states, grand-canonical ensembles, and the influence of the collapse bases

    Science.gov (United States)

    Binder, Moritz; Barthel, Thomas

    Based on DMRG, strongly correlated quantum many-body systems at finite temperatures can be simulated by sampling over a certain class of pure matrix product states (MPS) called minimally entangled typical thermal states (METTS). Here, we show how symmetries of the system can be exploited to considerably reduce computation costs in the METTS algorithm. While this is straightforward for the canonical ensemble, we introduce a modification of the algorithm to efficiently simulate the grand-canonical ensemble under utilization of symmetries. In addition, we construct novel symmetry-conserving collapse bases for the transitions in the Markov chain of METTS that improve the speed of convergence of the algorithm by reducing autocorrelations.

  11. Generation of triangulated random surfaces by means of the Monte Carlo method in the grand canonical ensemble

    International Nuclear Information System (INIS)

    Zmushko, V.V.; Migdal, A.A.

    1987-01-01

    A model of triangulated random surfaces which is the discrete analogue of the Polyakov string is considered in the work. An algorithm is proposed which enables one to study the model by means of the Monte Carlo method in the grand canonical ensemble. Preliminary results are presented on the evaluation of the critical index γ

  12. Spherical grand-canonical minority games with and without score discounting

    International Nuclear Information System (INIS)

    Bladon, Alex; Richardson, Thomas; Galla, Tobias

    2009-01-01

    We present a spherical version of the grand-canonical minority game (GCMG) and solve its dynamics in the stationary state. The model displays several types of transitions between multiple ergodic phases and one non-ergodic phase. We derive analytical solutions, including exact expressions for the volatility, throughout all ergodic phases and compute the phase behaviour of the system. In contrast to conventional GCMGs, where the introduction of memory loss precludes analytical approaches, the spherical model can also be solved when exponential discounting is taken into account. For the case of homogeneous incentives to trade ε and memory-loss rates ρ, an efficient phase is found only if ρ = ε = 0. Allowing for heterogeneous memory-loss rates we find that efficiency can be achieved as long as there is any finite fraction of agents which is not subject to memory loss

  13. Grand canonical validation of the bipartite international trade network

    Science.gov (United States)

    Straka, Mika J.; Caldarelli, Guido; Saracco, Fabio

    2017-08-01

    Devising strategies for economic development in a globally competitive landscape requires a solid and unbiased understanding of countries' technological advancements and similarities among export products. Both can be addressed through the bipartite representation of the International Trade Network. In this paper, we apply the recently proposed grand canonical projection algorithm to uncover country and product communities. Contrary to past endeavors, our methodology, based on information theory, creates monopartite projections in an unbiased and analytically tractable way. Single links between countries or products represent statistically significant signals, which are not accounted for by null models such as the bipartite configuration model. We find stable country communities reflecting the socioeconomic distinction in developed, newly industrialized, and developing countries. Furthermore, we observe product clusters based on the aforementioned country groups. Our analysis reveals the existence of a complicated structure in the bipartite International Trade Network: apart from the diversification of export baskets from the most basic to the most exclusive products, we observe a statistically significant signal of an export specialization mechanism towards more sophisticated products.

  14. Grand canonical validation of the bipartite international trade network.

    Science.gov (United States)

    Straka, Mika J; Caldarelli, Guido; Saracco, Fabio

    2017-08-01

    Devising strategies for economic development in a globally competitive landscape requires a solid and unbiased understanding of countries' technological advancements and similarities among export products. Both can be addressed through the bipartite representation of the International Trade Network. In this paper, we apply the recently proposed grand canonical projection algorithm to uncover country and product communities. Contrary to past endeavors, our methodology, based on information theory, creates monopartite projections in an unbiased and analytically tractable way. Single links between countries or products represent statistically significant signals, which are not accounted for by null models such as the bipartite configuration model. We find stable country communities reflecting the socioeconomic distinction in developed, newly industrialized, and developing countries. Furthermore, we observe product clusters based on the aforementioned country groups. Our analysis reveals the existence of a complicated structure in the bipartite International Trade Network: apart from the diversification of export baskets from the most basic to the most exclusive products, we observe a statistically significant signal of an export specialization mechanism towards more sophisticated products.

  15. Improved grand canonical sampling of vapour-liquid transitions.

    Science.gov (United States)

    Wilding, Nigel B

    2016-10-19

    Simulation within the grand canonical ensemble is the method of choice for accurate studies of first order vapour-liquid phase transitions in model fluids. Such simulations typically employ sampling that is biased with respect to the overall number density in order to overcome the free energy barrier associated with mixed phase states. However, at low temperature and for large system size, this approach suffers a drastic slowing down in sampling efficiency. The culprits are geometrically induced transitions (stemming from the periodic boundary conditions) which involve changes in droplet shape from sphere to cylinder and cylinder to slab. Since the overall number density does not discriminate sufficiently between these shapes, it fails as an order parameter for biasing through the transitions. Here we report two approaches to ameliorating these difficulties. The first introduces a droplet shape based order parameter that generates a transition path from vapour to slab states for which spherical and cylindrical droplets are suppressed. The second simply biases with respect to the number density in a tetragonal subvolume of the system. Compared to the standard approach, both methods offer improved sampling, allowing estimates of coexistence parameters and vapor-liquid surface tension for larger system sizes and lower temperatures.

  16. Deviations from Wick's theorem in the canonical ensemble

    Science.gov (United States)

    Schönhammer, K.

    2017-07-01

    Wick's theorem for the expectation values of products of field operators for a system of noninteracting fermions or bosons plays an important role in the perturbative approach to the quantum many-body problem. A finite-temperature version holds in the framework of the grand canonical ensemble, but not for the canonical ensemble appropriate for systems with fixed particle number such as ultracold quantum gases in optical lattices. Here we present formulas for expectation values of products of field operators in the canonical ensemble using a method in the spirit of Gaudin's proof of Wick's theorem for the grand canonical case. The deviations from Wick's theorem are examined quantitatively for two simple models of noninteracting fermions.

  17. Impact of ribosomal modification on the binding of the antibiotic telithromycin using a combined grand canonical monte carlo/molecular dynamics simulation approach.

    Directory of Open Access Journals (Sweden)

    Meagan C Small

    Full Text Available Resistance to macrolide antibiotics is conferred by mutation of A2058 to G or methylation by Erm methyltransferases of the exocyclic N6 of A2058 (E. coli numbering that forms the macrolide binding site in the 50S subunit of the ribosome. Ketolides such as telithromycin mitigate A2058G resistance yet remain susceptible to Erm-based resistance. Molecular details associated with macrolide resistance due to the A2058G mutation and methylation at N6 of A2058 by Erm methyltransferases were investigated using empirical force field-based simulations. To address the buried nature of the macrolide binding site, the number of waters within the pocket was allowed to fluctuate via the use of a Grand Canonical Monte Carlo (GCMC methodology. The GCMC water insertion/deletion steps were alternated with Molecular Dynamics (MD simulations to allow for relaxation of the entire system. From this GCMC/MD approach information on the interactions between telithromycin and the 50S ribosome was obtained. In the wild-type (WT ribosome, the 2'-OH to A2058 N1 hydrogen bond samples short distances with a higher probability, while the effectiveness of telithromycin against the A2058G mutation is explained by a rearrangement of the hydrogen bonding pattern of the 2'-OH to 2058 that maintains the overall antibiotic-ribosome interactions. In both the WT and A2058G mutation there is significant flexibility in telithromycin's imidazole-pyridine side chain (ARM, indicating that entropic effects contribute to the binding affinity. Methylated ribosomes show lower sampling of short 2'-OH to 2058 distances and also demonstrate enhanced G2057-A2058 stacking leading to disrupted A752-U2609 Watson-Crick (WC interactions as well as hydrogen bonding between telithromycin's ARM and U2609. This information will be of utility in the rational design of novel macrolide analogs with improved activity against methylated A2058 ribosomes.

  18. Grand canonical Monte Carlo simulation study of capillary condensation between nanoparticles.

    Science.gov (United States)

    Kim, Seonmin; Ehrman, Sheryl H

    2007-10-07

    Capillary condensation at the nanoscale differs from condensation in the bulk phase, because it is a strong function of surface geometry and gas-surface interactions. Here, the effects of geometry on the thermodynamics of capillary condensation at the neck region between nanoparticles are investigated via a grand canonical Monte Carlo simulation using a two-dimensional lattice gas model. The microscopic details of the meniscus formation on various surface geometries are examined and compared with results of classical macromolecular theory, the Kelvin equation. We assume that the system is composed of a lattice gas and the surfaces of two particles are approximated by various shapes. The system is modeled on the basis of the molecular properties of the particle surface and lattice gas in our system corresponding to titania nanoparticles and tetraethoxy orthosilicate molecules, respectively. This system was chosen in order to reasonably emulate our previous experimental results for capillary condensation on nanoparticle surfaces. Qualitatively, our simulation results show that the specific geometry in the capillary zone, the surface-surface distance, and the saturation ratio are important for determining the onset and broadening of the liquid meniscus. The meniscus height increases continuously as the saturation ratio increases and the meniscus broadens faster above the saturation ratio of 0.90. The change of the radius of curvature of the particle surface affects the dimensions of the capillary zone, which drives more condensation in narrow zones and less condensation in wide zones. The increase of surface-surface distance results in the decrease of the meniscus height or even the disappearance of the meniscus entirely at lower saturation ratios. These effects are significant at the nanoscale and must be carefully considered in order to develop predictive relationships for meniscus height as a function of saturation conditions.

  19. Derivation of Mayer Series from Canonical Ensemble

    International Nuclear Information System (INIS)

    Wang Xian-Zhi

    2016-01-01

    Mayer derived the Mayer series from both the canonical ensemble and the grand canonical ensemble by use of the cluster expansion method. In 2002, we conjectured a recursion formula of the canonical partition function of a fluid (X.Z. Wang, Phys. Rev. E 66 (2002) 056102). In this paper we give a proof for this formula by developing an appropriate expansion of the integrand of the canonical partition function. We further derive the Mayer series solely from the canonical ensemble by use of this recursion formula. (paper)

  20. Derivation of Mayer Series from Canonical Ensemble

    Science.gov (United States)

    Wang, Xian-Zhi

    2016-02-01

    Mayer derived the Mayer series from both the canonical ensemble and the grand canonical ensemble by use of the cluster expansion method. In 2002, we conjectured a recursion formula of the canonical partition function of a fluid (X.Z. Wang, Phys. Rev. E 66 (2002) 056102). In this paper we give a proof for this formula by developing an appropriate expansion of the integrand of the canonical partition function. We further derive the Mayer series solely from the canonical ensemble by use of this recursion formula.

  1. Simulating prescribed particle densities in the grand canonical ensemble using iterative algorithms.

    Science.gov (United States)

    Malasics, Attila; Gillespie, Dirk; Boda, Dezso

    2008-03-28

    We present two efficient iterative Monte Carlo algorithms in the grand canonical ensemble with which the chemical potentials corresponding to prescribed (targeted) partial densities can be determined. The first algorithm works by always using the targeted densities in the kT log(rho(i)) (ideal gas) terms and updating the excess chemical potentials from the previous iteration. The second algorithm extrapolates the chemical potentials in the next iteration from the results of the previous iteration using a first order series expansion of the densities. The coefficients of the series, the derivatives of the densities with respect to the chemical potentials, are obtained from the simulations by fluctuation formulas. The convergence of this procedure is shown for the examples of a homogeneous Lennard-Jones mixture and a NaCl-CaCl(2) electrolyte mixture in the primitive model. The methods are quite robust under the conditions investigated. The first algorithm is less sensitive to initial conditions.

  2. A Cannibalistic Approach to Grand Canonical Crystal Growth.

    Science.gov (United States)

    Karmakar, Tarak; Piaggi, Pablo M; Perego, Claudio; Parrinello, Michele

    2018-04-04

    Canonical molecular dynamics simulations of crystal growth from solution suffer from severe finite-size effects. As the crystal grows, the solute molecules are drawn from the solution to the crystal, leading to a continuous drop in the solution concentration. This is in contrast to experiments in which the crystal grows at an approximately constant supersaturation of a bulk solution. Recently, Perego et al. [ J. Chem. Phys. 2015, 142, 144113] showed that in a periodic setup in which the crystal is represented as a slab, the concentration in the vicinity of the two surfaces can be kept constant while the molecules are drawn from a part of the solution that acts as a molecular reservoir. This method is quite effective in studying crystallization under controlled supersaturation conditions. However, once the reservoir is depleted, the constant supersaturation conditions cannot be maintained. We propose a variant of this method to tackle this depletion problem by simultaneously dissolving one side of the crystal while letting the other side grow. A continuous supply of particles to the solution due to the crystal dissolution maintains a steady solution concentration and avoids reservoir depletion. In this way, a constant supersaturation condition can be maintained for as long as necessary. We have applied this method to study the growth and dissolution of urea crystal from water solution under constant supersaturation and undersaturation conditions, respectively. The computed growth and dissolution rates are in good agreement with those obtained in previous studies.

  3. A molecular dynamics algorithm for simulation of field theories in the canonical ensemble

    International Nuclear Information System (INIS)

    Kogut, J.B.; Sinclair, D.K.

    1986-01-01

    We add a single scalar degree of freedom (''demon'') to the microcanonical ensemble which converts its molecular dynamics into a simulation method for the canonical ensemble (euclidean path integral) of the underlying field theory. This generalization of the microcanonical molecular dynamics algorithm simulates the field theory at fixed coupling with a completely deterministic procedure. We discuss the finite size effects of the method, the equipartition theorem and ergodicity. The method is applied to the planar model in two dimensions and SU(3) lattice gauge theory with four species of light, dynamical quarks in four dimensions. The method is much less sensitive to its discrete time step than conventional Langevin equation simulations of the canonical ensemble. The method is a straightforward generalization of a procedure introduced by S. Nose for molecular physics. (orig.)

  4. Electrochemical deposition on surface nanometric defects: Thermodynamics and grand canonical Monte Carlo simulations

    International Nuclear Information System (INIS)

    Luque, Noelia B.; Reinaudi, Luis; Serra, Pablo; Leiva, Ezequiel P.M.

    2009-01-01

    A thermodynamic analysis is performed on electrochemical metal deposition in the cavity of a foreign substrate. In particular, the deposition of Cu and Ag in nanometer-sized holes on Au(1 1 1) is studied by means of off-lattice atomistic Grand Canonical Monte Carlo simulations, using embedded atom method potentials. The present simulation conditions emulate experiments of electrochemical metal deposition in nanocavities, as performed in the literature. Depending on the system, remarkable differences are found in the way in which the defects are decorated, as well as in their energetics. When the interaction of the adsorbate atoms with the substrate is less favorable than the bulk interaction of the adsorbate, clusters are found that grow stepwise over the level of the surface. In the opposite case, the filling of the cavity occurs stepwise, without the occurrence of cluster growth above the surface level. The results of the simulations present a good qualitative agreement with experimental results from the literature

  5. Energy Storage Analysis of a Mixed R161/MOF-5 Nanoparticle Nanofluid Based on Molecular Simulations.

    Science.gov (United States)

    Wang, Qiang; Tang, Shengli; Li, Leilei

    2018-05-20

    The thermal properties of refrigerants can be modified by adding porous nanoparticles into them. Here, molecular simulations, including molecular dynamics and grand canonical Monte Carlo, were employed to study the thermal energy storage properties of an R161/MOF-5 nanofluid. The results show that the thermodynamic energy change of MOF-5 nanoparticles is linear to the temperature. The adsorption heat calculated by grand canonical Monte Carlo is close to that calculated by the Clausius⁻Clapeyron equation. Additionally, a negative enhancement of the thermal energy storage capacity of the R161/MOF-5 nanofluid is found near the phase transition area.

  6. Absence of high-temperature ballistic transport in the spin-1/2 XXX chain within the grand-canonical ensemble

    Directory of Open Access Journals (Sweden)

    J.M.P. Carmelo

    2017-01-01

    Full Text Available Whether in the thermodynamic limit, vanishing magnetic field h→0, and nonzero temperature the spin stiffness of the spin-1/2 XXX Heisenberg chain is finite or vanishes within the grand-canonical ensemble remains an unsolved and controversial issue, as different approaches yield contradictory results. Here we provide an upper bound on the stiffness and show that within that ensemble it vanishes for h→0 in the thermodynamic limit of chain length L→∞, at high temperatures T→∞. Our approach uses a representation in terms of the L physical spins 1/2. For all configurations that generate the exact spin-S energy and momentum eigenstates such a configuration involves a number 2S of unpaired spins 1/2 in multiplet configurations and L−2S spins 1/2 that are paired within Msp=L/2−S spin–singlet pairs. The Bethe-ansatz strings of length n=1 and n>1 describe a single unbound spin–singlet pair and a configuration within which n pairs are bound, respectively. In the case of n>1 pairs this holds both for ideal and deformed strings associated with n complex rapidities with the same real part. The use of such a spin 1/2 representation provides useful physical information on the problem under investigation in contrast to often less controllable numerical studies. Our results provide strong evidence for the absence of ballistic transport in the spin-1/2 XXX Heisenberg chain in the thermodynamic limit, for high temperatures T→∞, vanishing magnetic field h→0 and within the grand-canonical ensemble.

  7. Absence of high-temperature ballistic transport in the spin-1/2 XXX chain within the grand-canonical ensemble

    Science.gov (United States)

    Carmelo, J. M. P.; Prosen, T.

    2017-01-01

    Whether in the thermodynamic limit, vanishing magnetic field h → 0, and nonzero temperature the spin stiffness of the spin-1/2 XXX Heisenberg chain is finite or vanishes within the grand-canonical ensemble remains an unsolved and controversial issue, as different approaches yield contradictory results. Here we provide an upper bound on the stiffness and show that within that ensemble it vanishes for h → 0 in the thermodynamic limit of chain length L → ∞, at high temperatures T → ∞. Our approach uses a representation in terms of the L physical spins 1/2. For all configurations that generate the exact spin-S energy and momentum eigenstates such a configuration involves a number 2S of unpaired spins 1/2 in multiplet configurations and L - 2 S spins 1/2 that are paired within Msp = L / 2 - S spin-singlet pairs. The Bethe-ansatz strings of length n = 1 and n > 1 describe a single unbound spin-singlet pair and a configuration within which n pairs are bound, respectively. In the case of n > 1 pairs this holds both for ideal and deformed strings associated with n complex rapidities with the same real part. The use of such a spin 1/2 representation provides useful physical information on the problem under investigation in contrast to often less controllable numerical studies. Our results provide strong evidence for the absence of ballistic transport in the spin-1/2 XXX Heisenberg chain in the thermodynamic limit, for high temperatures T → ∞, vanishing magnetic field h → 0 and within the grand-canonical ensemble.

  8. Self-consistent field theory based molecular dynamics with linear system-size scaling

    Energy Technology Data Exchange (ETDEWEB)

    Richters, Dorothee [Institute of Mathematics and Center for Computational Sciences, Johannes Gutenberg University Mainz, Staudinger Weg 9, D-55128 Mainz (Germany); Kühne, Thomas D., E-mail: kuehne@uni-mainz.de [Institute of Physical Chemistry and Center for Computational Sciences, Johannes Gutenberg University Mainz, Staudinger Weg 7, D-55128 Mainz (Germany); Technical and Macromolecular Chemistry, University of Paderborn, Warburger Str. 100, D-33098 Paderborn (Germany)

    2014-04-07

    We present an improved field-theoretic approach to the grand-canonical potential suitable for linear scaling molecular dynamics simulations using forces from self-consistent electronic structure calculations. It is based on an exact decomposition of the grand canonical potential for independent fermions and does neither rely on the ability to localize the orbitals nor that the Hamilton operator is well-conditioned. Hence, this scheme enables highly accurate all-electron linear scaling calculations even for metallic systems. The inherent energy drift of Born-Oppenheimer molecular dynamics simulations, arising from an incomplete convergence of the self-consistent field cycle, is circumvented by means of a properly modified Langevin equation. The predictive power of the present approach is illustrated using the example of liquid methane under extreme conditions.

  9. A canonical approach to forces in molecules

    Energy Technology Data Exchange (ETDEWEB)

    Walton, Jay R. [Department of Mathematics, Texas A& M University, College Station, TX 77843-3368 (United States); Rivera-Rivera, Luis A., E-mail: rivera@chem.tamu.edu [Department of Chemistry, Texas A& M University, College Station, TX 77843-3255 (United States); Lucchese, Robert R.; Bevan, John W. [Department of Chemistry, Texas A& M University, College Station, TX 77843-3255 (United States)

    2016-08-02

    Highlights: • Derivation of canonical representation of molecular force. • Correlation of derivations with accurate results from Born–Oppenheimer potentials. • Extension of methodology to Mg{sub 2}, benzene dimer, and water dimer. - Abstract: In previous studies, we introduced a generalized formulation for canonical transformations and spectra to investigate the concept of canonical potentials strictly within the Born–Oppenheimer approximation. Data for the most accurate available ground electronic state pairwise intramolecular potentials in H{sub 2}{sup +}, H{sub 2}, HeH{sup +}, and LiH were used to rigorously establish such conclusions. Now, a canonical transformation is derived for the molecular force, F(R), with H{sub 2}{sup +} as molecular reference. These transformations are demonstrated to be inherently canonical to high accuracy but distinctly different from those corresponding to the respective potentials of H{sub 2}, HeH{sup +}, and LiH. In this paper, we establish the canonical nature of the molecular force which is key to fundamental generalization of canonical approaches to molecular bonding. As further examples Mg{sub 2}, benzene dimer and to water dimer are also considered within the radial limit as applications of the current methodology.

  10. Extension of Kirkwood-Buff theory to the canonical ensemble

    Science.gov (United States)

    Rogers, David M.

    2018-02-01

    Kirkwood-Buff (KB) integrals are notoriously difficult to converge from a canonical simulation because they require estimating the grand-canonical radial distribution. The same essential difficulty is encountered when attempting to estimate the direct correlation function of Ornstein-Zernike theory by inverting the pair correlation functions. We present a new theory that applies to the entire, finite, simulation volume, so that no cutoff issues arise at all. The theory gives the direct correlation function for closed systems, while smoothness of the direct correlation function in reciprocal space allows calculating canonical KB integrals via a well-posed extrapolation to the origin. The present analysis method represents an improvement over previous work because it makes use of the entire simulation volume and its convergence can be accelerated using known properties of the direct correlation function. Using known interaction energy functions can make this extrapolation near perfect accuracy in the low-density case. Because finite size effects are stronger in the canonical than in the grand-canonical ensemble, we state ensemble correction formulas for the chemical potential and the KB coefficients. The new theory is illustrated with both analytical and simulation results on the 1D Ising model and a supercritical Lennard-Jones fluid. For the latter, the finite-size corrections are shown to be small.

  11. Canonical-ensemble extended Lagrangian Born-Oppenheimer molecular dynamics for the linear scaling density functional theory.

    Science.gov (United States)

    Hirakawa, Teruo; Suzuki, Teppei; Bowler, David R; Miyazaki, Tsuyoshi

    2017-10-11

    We discuss the development and implementation of a constant temperature (NVT) molecular dynamics scheme that combines the Nosé-Hoover chain thermostat with the extended Lagrangian Born-Oppenheimer molecular dynamics (BOMD) scheme, using a linear scaling density functional theory (DFT) approach. An integration scheme for this canonical-ensemble extended Lagrangian BOMD is developed and discussed in the context of the Liouville operator formulation. Linear scaling DFT canonical-ensemble extended Lagrangian BOMD simulations are tested on bulk silicon and silicon carbide systems to evaluate our integration scheme. The results show that the conserved quantity remains stable with no systematic drift even in the presence of the thermostat.

  12. Quantum correlations of ideal Bose and Fermi gases in the canonical ensemble

    International Nuclear Information System (INIS)

    Tsutsui, Kazumasa; Kita, Takafumi

    2016-01-01

    We derive an expression for the reduced density matrices of ideal Bose and Fermi gases in the canonical ensemble, which corresponds to the Bloch-De Dominicis (or Wick's) theorem in the grand canonical ensemble for normal-ordered products of operators. Using this expression, we study one- and two-body correlations of homogeneous ideal gases with N particles. The pair distribution function g (2) (r) of fermions clearly exhibits antibunching with g (2) (0) = 0 due to the Pauli exclusion principle at all temperatures, whereas that of normal bosons shows bunching with g (2) (0) ≈ 2, corresponding to the Hanbury Brown-Twiss effect. For bosons below the Bose-Einstein condensation temperature T 0 , an off-diagonal long-range order develops in the one-particle density matrix to reach g (1) (r) = 1 at T = 0, and the pair correlation starts to decrease towards g (2) (r) ≈ 1 at T = 0. The results for N → ∞ are seen to converge to those of the grand canonical ensemble obtained by assuming the average <ψ(r)> of the field operator ψ(r) below T 0 . This fact justifies the introduction of the 'anomalous' average <ψ(r)> ≠ 0 below T 0 in the grand canonical ensemble as a mathematical means of removing unphysical particle-number fluctuations to reproduce the canonical results in the thermodynamic limit. (author)

  13. Grand Canonical Investigation of the Quasi Liquid Layer of Ice: Is It Liquid?

    Science.gov (United States)

    Pickering, Ignacio; Paleico, Martin; Sirkin, Yamila A Perez; Scherlis, Damian A; Factorovich, Matías H

    2018-05-10

    In this study, the solid-vapor equilibrium and the quasi liquid layer (QLL) of ice Ih exposing the basal and primary prismatic faces were explored by means of grand canonical molecular dynamics simulations with the monatomic mW potential. For this model, the solid-vapor equilibrium was found to follow the Clausius-Clapeyron relation in the range examined, from 250 to 270 K, with a Δ H sub of 50 kJ/mol in excellent agreement with the experimental value. The phase diagram of the mW model was constructed for the low pressure region around the triple point. The analysis of the crystallization dynamics during condensation and evaporation revealed that, for the basal face, both processes are highly activated, and in particular cubic ice is formed during condensation, producing stacking-disordered ice. The basal and primary prismatic surfaces of ice Ih were investigated at different temperatures and at their corresponding equilibrium vapor pressures. Our results show that the region known as QLL can be interpreted as the outermost layers of the solid where a partial melting takes place. Solid islands in the nanometer length scale are surrounded by interconnected liquid areas, generating a bidimensional nanophase segregation that spans throughout the entire width of the outermost layer even at 250 K. Two approaches were adopted to quantify the QLL and discussed in light of their ability to reflect this nanophase segregation phenomena. Our results in the μVT ensemble were compared with NPT and NVT simulations for two system sizes. No significant differences were found between the results as a consequence of model system size or of the working ensemble. Nevertheless, certain advantages of performing μVT simulations in order to reproduce the experimental situation are highlighted. On the one hand, the QLL thickness measured out of equilibrium might be affected because of crystallization being slower than condensation. On the other, preliminary simulations of AFM

  14. Effect of Pore Geometry on Gas Adsorption: Grand Canonical Monte Carlo Simulation Studies

    International Nuclear Information System (INIS)

    Lee, Eon Ji; Chang, Rak Woo; Han, Ji Hyung; Chung, Taek Dong

    2012-01-01

    In this study, we investigated the pure geometrical effect of porous materials in gas adsorption using the grand canonical Monte Carlo simulations of primitive gas-pore models with various pore geometries such as planar, cylindrical, and random pore geometries. Although the model does not possess atomistic level details of porous materials, our simulation results provided many insightful information in the effect of pore geometry on the adsorption behavior of gas molecules. First, the surface curvature of porous materials plays a significant role in the amount of adsorbed gas molecules: the concave surface such as in cylindrical pores induces more attraction between gas molecules and pore, which results in the enhanced gas adsorption. On the contrary, the convex surface of random pores gives the opposite effect. Second, this geometrical effect shows a nonmonotonic dependence on the gas-pore interaction strength and length. Third, as the external gas pressure is increased, the change in the gas adsorption due to pore geometry is reduced. Finally, the pore geometry also affects the collision dynamics of gas molecules. Since our model is based on primitive description of fluid molecules, our conclusion can be applied to any fluidic systems including reactant-electrode systems

  15. Canonical simulations with worldlines: An exploratory study in ϕ24 lattice field theory

    Science.gov (United States)

    Orasch, Oliver; Gattringer, Christof

    2018-01-01

    In this paper, we explore the perspectives for canonical simulations in the worldline formulation of a lattice field theory. Using the charged ϕ4 field in two dimensions as an example, we present the details of the canonical formulation based on worldlines and outline the algorithmic strategies for canonical worldline simulations. We discuss the steps for converting the data from the canonical approach to the grand canonical picture which we use for cross-checking our results. The canonical approach presented here can easily be generalized to other lattice field theories with a worldline representation.

  16. Electrolyte pore/solution partitioning by expanded grand canonical ensemble Monte Carlo simulation

    Energy Technology Data Exchange (ETDEWEB)

    Moucka, Filip [Department of Chemistry, Virginia Commonwealth University, Richmond, Virginia 23221 (United States); Faculty of Science, J. E. Purkinje University, 400 96 Ústí nad Labem (Czech Republic); Bratko, Dusan, E-mail: dbratko@vcu.edu; Luzar, Alenka, E-mail: aluzar@vcu.edu [Department of Chemistry, Virginia Commonwealth University, Richmond, Virginia 23221 (United States)

    2015-03-28

    Using a newly developed grand canonical Monte Carlo approach based on fractional exchanges of dissolved ions and water molecules, we studied equilibrium partitioning of both components between laterally extended apolar confinements and surrounding electrolyte solution. Accurate calculations of the Hamiltonian and tensorial pressure components at anisotropic conditions in the pore required the development of a novel algorithm for a self-consistent correction of nonelectrostatic cut-off effects. At pore widths above the kinetic threshold to capillary evaporation, the molality of the salt inside the confinement grows in parallel with that of the bulk phase, but presents a nonuniform width-dependence, being depleted at some and elevated at other separations. The presence of the salt enhances the layered structure in the slit and lengthens the range of inter-wall pressure exerted by the metastable liquid. Solvation pressure becomes increasingly repulsive with growing salt molality in the surrounding bath. Depending on the sign of the excess molality in the pore, the wetting free energy of pore walls is either increased or decreased by the presence of the salt. Because of simultaneous rise in the solution surface tension, which increases the free-energy cost of vapor nucleation, the rise in the apparent hydrophobicity of the walls has not been shown to enhance the volatility of the metastable liquid in the pores.

  17. Electrolyte pore/solution partitioning by expanded grand canonical ensemble Monte Carlo simulation

    International Nuclear Information System (INIS)

    Moucka, Filip; Bratko, Dusan; Luzar, Alenka

    2015-01-01

    Using a newly developed grand canonical Monte Carlo approach based on fractional exchanges of dissolved ions and water molecules, we studied equilibrium partitioning of both components between laterally extended apolar confinements and surrounding electrolyte solution. Accurate calculations of the Hamiltonian and tensorial pressure components at anisotropic conditions in the pore required the development of a novel algorithm for a self-consistent correction of nonelectrostatic cut-off effects. At pore widths above the kinetic threshold to capillary evaporation, the molality of the salt inside the confinement grows in parallel with that of the bulk phase, but presents a nonuniform width-dependence, being depleted at some and elevated at other separations. The presence of the salt enhances the layered structure in the slit and lengthens the range of inter-wall pressure exerted by the metastable liquid. Solvation pressure becomes increasingly repulsive with growing salt molality in the surrounding bath. Depending on the sign of the excess molality in the pore, the wetting free energy of pore walls is either increased or decreased by the presence of the salt. Because of simultaneous rise in the solution surface tension, which increases the free-energy cost of vapor nucleation, the rise in the apparent hydrophobicity of the walls has not been shown to enhance the volatility of the metastable liquid in the pores

  18. Limit order book and its modeling in terms of Gibbs Grand-Canonical Ensemble

    Science.gov (United States)

    Bicci, Alberto

    2016-12-01

    In the domain of so called Econophysics some attempts have been already made for applying the theory of thermodynamics and statistical mechanics to economics and financial markets. In this paper a similar approach is made from a different perspective, trying to model the limit order book and price formation process of a given stock by the Grand-Canonical Gibbs Ensemble for the bid and ask orders. The application of the Bose-Einstein statistics to this ensemble allows then to derive the distribution of the sell and buy orders as a function of price. As a consequence we can define in a meaningful way expressions for the temperatures of the ensembles of bid orders and of ask orders, which are a function of minimum bid, maximum ask and closure prices of the stock as well as of the exchanged volume of shares. It is demonstrated that the difference between the ask and bid orders temperatures can be related to the VAO (Volume Accumulation Oscillator), an indicator empirically defined in Technical Analysis of stock markets. Furthermore the derived distributions for aggregate bid and ask orders can be subject to well defined validations against real data, giving a falsifiable character to the model.

  19. An efficient iterative grand canonical Monte Carlo algorithm to determine individual ionic chemical potentials in electrolytes.

    Science.gov (United States)

    Malasics, Attila; Boda, Dezso

    2010-06-28

    Two iterative procedures have been proposed recently to calculate the chemical potentials corresponding to prescribed concentrations from grand canonical Monte Carlo (GCMC) simulations. Both are based on repeated GCMC simulations with updated excess chemical potentials until the desired concentrations are established. In this paper, we propose combining our robust and fast converging iteration algorithm [Malasics, Gillespie, and Boda, J. Chem. Phys. 128, 124102 (2008)] with the suggestion of Lamperski [Mol. Simul. 33, 1193 (2007)] to average the chemical potentials in the iterations (instead of just using the chemical potentials obtained in the last iteration). We apply the unified method for various electrolyte solutions and show that our algorithm is more efficient if we use the averaging procedure. We discuss the convergence problems arising from violation of charge neutrality when inserting/deleting individual ions instead of neutral groups of ions (salts). We suggest a correction term to the iteration procedure that makes the algorithm efficient to determine the chemical potentials of individual ions too.

  20. Molecular Simulation Study of Montmorillonite in Contact with Variably Wet Supercritical Carbon Dioxide

    KAUST Repository

    Kadoura, Ahmad Salim; Nair, Arun Kumar Narayanan; Sun, Shuyu

    2017-01-01

    We perform grand canonical Monte Carlo simulations to study the detailed molecular mechanism of intercalation behavior of CO2 in Na-, Ca-, and Mg- montmorillonite exposed to variably hydrated supercritical CO2 at 323.15 K and 90 bar, The simulations

  1. Restoring canonical partition functions from imaginary chemical potential

    Science.gov (United States)

    Bornyakov, V. G.; Boyda, D.; Goy, V.; Molochkov, A.; Nakamura, A.; Nikolaev, A.; Zakharov, V. I.

    2018-03-01

    Using GPGPU techniques and multi-precision calculation we developed the code to study QCD phase transition line in the canonical approach. The canonical approach is a powerful tool to investigate sign problem in Lattice QCD. The central part of the canonical approach is the fugacity expansion of the grand canonical partition functions. Canonical partition functions Zn(T) are coefficients of this expansion. Using various methods we study properties of Zn(T). At the last step we perform cubic spline for temperature dependence of Zn(T) at fixed n and compute baryon number susceptibility χB/T2 as function of temperature. After that we compute numerically ∂χ/∂T and restore crossover line in QCD phase diagram. We use improved Wilson fermions and Iwasaki gauge action on the 163 × 4 lattice with mπ/mρ = 0.8 as a sandbox to check the canonical approach. In this framework we obtain coefficient in parametrization of crossover line Tc(µ2B) = Tc(C-ĸµ2B/T2c) with ĸ = -0.0453 ± 0.0099.

  2. ReaxFF Grand Canonical Monte Carlo simulation of adsorption and dissociation of oxygen on platinum (111)

    Science.gov (United States)

    Valentini, Paolo; Schwartzentruber, Thomas E.; Cozmuta, Ioana

    2011-12-01

    Atomic-level Grand Canonical Monte Carlo (GCMC) simulations equipped with a reactive force field (ReaxFF) are used to study atomic oxygen adsorption on a Pt(111) surface. The off-lattice GCMC calculations presented here rely solely on the interatomic potential and do not necessitate the pre-computation of surface adlayer structures and their interpolation. As such, they provide a predictive description of adsorbate phases. In this study, validation is obtained with experimental evidence (steric heats of adsorption and isotherms) as well as DFT-based state diagrams available in the literature. The ReaxFF computed steric heats of adsorption agree well with experimental data, and this study clearly shows that indirect dissociative adsorption of O2 on Pt(111) is an activated process at non-zero coverages, with an activation energy that monotonically increases with coverage. At a coverage of 0.25 ML, a highly ordered p(2 × 2) adlayer is found, in agreement with several low-energy electron diffraction observations. Isotherms obtained from the GCMC simulations compare qualitatively and quantitatively well with previous DFT-based state diagrams, but are in disagreement with the experimental data sets available. ReaxFF GCMC simulations at very high coverages show that O atoms prefer to bind in fcc hollow sites, at least up to 0.8 ML considered in the present work. At moderate coverages, little to no disorder appears in the Pt lattice. At high coverages, some Pt atoms markedly protrude out of the surface plane. This observation is in qualitative agreement with recent STM images of an oxygen covered Pt surface. The use of the GCMC technique based on a transferable potential is particularly valuable to produce more realistic systems (adsorbent and adsorbate) to be used in subsequent dynamical simulations (Molecular Dynamics) to address recombination reactions (via either Eley-Rideal or Langmuir-Hinshelwood mechanisms) on variously covered surfaces. By using GCMC and Molecular

  3. Molecular Simulation of Adsorption in Microporous Materials

    OpenAIRE

    Yiannourakou M.; Ungerer P.; Leblanc B.; Rozanska X.; Saxe P.; Vidal-Gilbert S.; Gouth F.; Montel F.

    2013-01-01

    The development of industrial software, the decreasing cost of computing time, and the availability of well-tested forcefields make molecular simulation increasingly attractive for chemical engineers. We present here several applications of Monte-Carlo simulation techniques, applied to the adsorption of fluids in microporous solids such as zeolites and model carbons (pores < 2 nm). Adsorption was computed in the Grand Canonical ensemble ...

  4. Mg/Ca partitioning between aqueous solution and aragonite mineral: a molecular dynamics study

    NARCIS (Netherlands)

    Ruiz-Hernandez, S.E.; Grau-Crespo, R.; Almora-Barrios, N.; Wolthers, M.; Ruiz-Salvador, A.R.; Fernandez, N.; Leeuw, N.H. de

    2012-01-01

    We have calculated the concentrations of Mg in the bulk and surfaces of aragonite CaCO3 in equilibrium with aqueous solution, based on molecular dynamics simulations and grand-canonical statistical mechanics. Mg is incorporated in the surfaces, in particular in the (001) terraces,

  5. Thermodynamics of Born-Infeld-anti-de Sitter black holes in the grand canonical ensemble

    International Nuclear Information System (INIS)

    Fernando, Sharmanthie

    2006-01-01

    The main objective of this paper is to study thermodynamics and stability of static electrically charged Born-Infeld black holes in AdS space in D=4. The Euclidean action for the grand canonical ensemble is computed with the appropriate boundary terms. The thermodynamical quantities such as the Gibbs free energy, entropy and specific heat of the black holes are derived from it. The global stability of black holes are studied in detail by studying the free energy for various potentials. For small values of the potential, we find that there is a Hawking-Page phase transition between a BIAdS black hole and the thermal-AdS space. For large potentials, the black hole phase is dominant and is preferred over the thermal-AdS space. Local stability is studied by computing the specific heat for constant potentials. The nonextreme black holes have two branches: small black holes are unstable and the large black holes are stable. The extreme black holes are shown to be stable both globally as well as locally. In addition to the thermodynamics, we also show that the phase structure relating the mass M and the charge Q of the black holes is similar to the liquid-gas-solid phase diagram

  6. The influence of the carbon surface chemical composition on Dubinin-Astakhov equation parameters calculated from SF{sub 6} adsorption data-grand canonical Monte Carlo simulation

    Energy Technology Data Exchange (ETDEWEB)

    Furmaniak, Sylwester; Terzyk, Artur P; Gauden, Piotr A [Department of Chemistry, Physicochemistry of Carbon Materials Research Group, N Copernicus University, Gagarin Street 7, 87-100 Torun (Poland); Kowalczyk, Piotr [Nanochemistry Research Institute, Curtin University, PO Box U1987, Perth, WA 6845 (Australia); Harris, Peter J F, E-mail: aterzyk@chem.uni.torun.pl [Centre for Advanced Microscopy, University of Reading, Whiteknights, Reading RG6 6AF (United Kingdom)

    2011-10-05

    Using grand canonical Monte Carlo simulation we show, for the first time, the influence of the carbon porosity and surface oxidation on the parameters of the Dubinin-Astakhov (DA) adsorption isotherm equation. We conclude that upon carbon surface oxidation, the adsorption decreases for all carbons studied. Moreover, the parameters of the DA model depend on the number of surface oxygen groups. That is why in the case of carbons containing surface polar groups, SF{sub 6} adsorption isotherm data cannot be used for characterization of the porosity. (paper)

  7. Study of high-performance canonical molecular orbitals calculation for proteins

    Science.gov (United States)

    Hirano, Toshiyuki; Sato, Fumitoshi

    2017-11-01

    The canonical molecular orbital (CMO) calculation can help to understand chemical properties and reactions in proteins. However, it is difficult to perform the CMO calculation of proteins because of its self-consistent field (SCF) convergence problem and expensive computational cost. To certainly obtain the CMO of proteins, we work in research and development of high-performance CMO applications and perform experimental studies. We have proposed the third-generation density-functional calculation method of calculating the SCF, which is more advanced than the FILE and direct method. Our method is based on Cholesky decomposition for two-electron integrals calculation and the modified grid-free method for the pure-XC term evaluation. By using the third-generation density-functional calculation method, the Coulomb, the Fock-exchange, and the pure-XC terms can be given by simple linear algebraic procedure in the SCF loop. Therefore, we can expect to get a good parallel performance in solving the SCF problem by using a well-optimized linear algebra library such as BLAS on the distributed memory parallel computers. The third-generation density-functional calculation method is implemented to our program, ProteinDF. To achieve computing electronic structure of the large molecule, not only overcoming expensive computation cost and also good initial guess for safe SCF convergence are required. In order to prepare a precise initial guess for the macromolecular system, we have developed the quasi-canonical localized orbital (QCLO) method. The QCLO has the characteristics of both localized and canonical orbital in a certain region of the molecule. We have succeeded in the CMO calculations of proteins by using the QCLO method. For simplified and semi-automated calculation of the QCLO method, we have also developed a Python-based program, QCLObot.

  8. Canonical partition functions: ideal quantum gases, interacting classical gases, and interacting quantum gases

    Science.gov (United States)

    Zhou, Chi-Chun; Dai, Wu-Sheng

    2018-02-01

    In statistical mechanics, for a system with a fixed number of particles, e.g. a finite-size system, strictly speaking, the thermodynamic quantity needs to be calculated in the canonical ensemble. Nevertheless, the calculation of the canonical partition function is difficult. In this paper, based on the mathematical theory of the symmetric function, we suggest a method for the calculation of the canonical partition function of ideal quantum gases, including ideal Bose, Fermi, and Gentile gases. Moreover, we express the canonical partition functions of interacting classical and quantum gases given by the classical and quantum cluster expansion methods in terms of the Bell polynomial in mathematics. The virial coefficients of ideal Bose, Fermi, and Gentile gases are calculated from the exact canonical partition function. The virial coefficients of interacting classical and quantum gases are calculated from the canonical partition function by using the expansion of the Bell polynomial, rather than calculated from the grand canonical potential.

  9. Far-red fluorescent probes for canonical and non-canonical nucleic acid structures: current progress and future implications.

    Science.gov (United States)

    Suseela, Y V; Narayanaswamy, Nagarjun; Pratihar, Sumon; Govindaraju, Thimmaiah

    2018-02-05

    The structural diversity and functional relevance of nucleic acids (NAs), mainly deoxyribonucleic acid (DNA) and ribonucleic acid (RNA), are indispensable for almost all living organisms, with minute aberrations in their structure and function becoming causative factors in numerous human diseases. The standard structures of NAs, termed canonical structures, are supported by Watson-Crick hydrogen bonding. Under special physiological conditions, NAs adopt distinct spatial organisations, giving rise to non-canonical conformations supported by hydrogen bonding other than the Watson-Crick type; such non-canonical structures have a definite function in controlling gene expression and are considered as novel diagnostic and therapeutic targets. Development of molecular probes for these canonical and non-canonical DNA/RNA structures has been an active field of research. Among the numerous probes studied, probes with turn-on fluorescence in the far-red (600-750 nm) region are highly sought-after due to minimal autofluorescence and cellular damage. Far-red fluorescent probes are vital for real-time imaging of NAs in live cells as they provide good resolution and minimal perturbation of the cell under investigation. In this review, we present recent advances in the area of far-red fluorescent probes of DNA/RNA and non-canonical G-quadruplex structures. For the sake of continuity and completeness, we provide a brief overview of visible fluorescent probes. Utmost importance is given to design criteria, characteristic properties and biological applications, including in cellulo imaging, apart from critical discussion on limitations of the far-red fluorescent probes. Finally, we offer current and future prospects in targeting canonical and non-canonical NAs specific to cellular organelles, through sequence- and conformation-specific far-red fluorescent probes. We also cover their implications in chemical and molecular biology, with particular focus on decoding various disease

  10. Stabilizing canonical-ensemble calculations in the auxiliary-field Monte Carlo method

    Science.gov (United States)

    Gilbreth, C. N.; Alhassid, Y.

    2015-03-01

    Quantum Monte Carlo methods are powerful techniques for studying strongly interacting Fermi systems. However, implementing these methods on computers with finite-precision arithmetic requires careful attention to numerical stability. In the auxiliary-field Monte Carlo (AFMC) method, low-temperature or large-model-space calculations require numerically stabilized matrix multiplication. When adapting methods used in the grand-canonical ensemble to the canonical ensemble of fixed particle number, the numerical stabilization increases the number of required floating-point operations for computing observables by a factor of the size of the single-particle model space, and thus can greatly limit the systems that can be studied. We describe an improved method for stabilizing canonical-ensemble calculations in AFMC that exhibits better scaling, and present numerical tests that demonstrate the accuracy and improved performance of the method.

  11. Universal critical wrapping probabilities in the canonical ensemble

    Directory of Open Access Journals (Sweden)

    Hao Hu

    2015-09-01

    Full Text Available Universal dimensionless quantities, such as Binder ratios and wrapping probabilities, play an important role in the study of critical phenomena. We study the finite-size scaling behavior of the wrapping probability for the Potts model in the random-cluster representation, under the constraint that the total number of occupied bonds is fixed, so that the canonical ensemble applies. We derive that, in the limit L→∞, the critical values of the wrapping probability are different from those of the unconstrained model, i.e. the model in the grand-canonical ensemble, but still universal, for systems with 2yt−d>0 where yt=1/ν is the thermal renormalization exponent and d is the spatial dimension. Similar modifications apply to other dimensionless quantities, such as Binder ratios. For systems with 2yt−d≤0, these quantities share same critical universal values in the two ensembles. It is also derived that new finite-size corrections are induced. These findings apply more generally to systems in the canonical ensemble, e.g. the dilute Potts model with a fixed total number of vacancies. Finally, we formulate an efficient cluster-type algorithm for the canonical ensemble, and confirm these predictions by extensive simulations.

  12. Relations between canonical and non-canonical inflation

    Energy Technology Data Exchange (ETDEWEB)

    Gwyn, Rhiannon [Max-Planck-Institut fuer Gravitationsphysik (Albert-Einstein-Institut), Potsdam (Germany); Rummel, Markus [Hamburg Univ. (Germany). 2. Inst. fuer Theoretische Physik; Westphal, Alexander [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Theory Group

    2012-12-15

    We look for potential observational degeneracies between canonical and non-canonical models of inflation of a single field {phi}. Non-canonical inflationary models are characterized by higher than linear powers of the standard kinetic term X in the effective Lagrangian p(X,{phi}) and arise for instance in the context of the Dirac-Born-Infeld (DBI) action in string theory. An on-shell transformation is introduced that transforms non-canonical inflationary theories to theories with a canonical kinetic term. The 2-point function observables of the original non-canonical theory and its canonical transform are found to match in the case of DBI inflation.

  13. Zeolite-templated carbon replica: a Grand Canonical Monte-Carlo simulation study

    International Nuclear Information System (INIS)

    Thomas Roussel; Roland J M Pellenq; Christophe Bichara; Roger Gadiou; Antoine Didion; Cathie Vix Guterl; Fabrice Gaslain; Julien Parmentier; Valentin Valtchev; Joel Patarin

    2005-01-01

    Microporous carbon materials are interesting for several applications such as hydrogen storage, catalysis or electrical double layer capacitors. The development of the negative templating method to obtain carbon replicas from ordered templates, has lead to the synthesis of several new materials which have interesting textural properties, attractive for energy storage. Among the possible templates, zeolites can be used to obtain highly microporous carbon materials. Nevertheless, the phenomena involved in the replica synthesis are not fully understood, and the relationships between the structure of the template, the carbon precursor and the resulting carbon material need to be investigated. Experimental results for carbon zeolite-templated nano-structures can be found in a series of papers; see for instance ref. [1] in which Wang et al describe a route to ultra-small Single Wall Carbon Nano-tubes (SWNTs) using the porosity of zeolite AlPO 4 -5. After matrix removal, the resulting structure is a free-standing bundle of 4 Angstroms large nano-tubes. However, it is highly desirable to obtain an ordered porous carbon structure that forms a real 3D network to be used for instance in gas storage applications. Carbon replica of faujasite and EMT zeolites can have these properties since these zeolites have a 3D porous network made of 10 Angstroms cages connected to each other through 7 Angstroms large windows. The first step of this study was to generate a theoretical carbon replica structure of various zeolites (faujasite, EMT, AlPO 4 -5, silicalite). For this purpose, we used the Grand Canonical Monte-Carlo (GCMC) technique in which the carbon-carbon interactions were described within the frame of a newly developed Tight Binding approach and the carbon-zeolite interactions assumed to be characteristic of physi-sorption. The intrinsic stability of the subsequent carbon nano-structures was then investigated after mimicking the removal of the inorganic phase by switching

  14. Quantum canonical ensemble: A projection operator approach

    Science.gov (United States)

    Magnus, Wim; Lemmens, Lucien; Brosens, Fons

    2017-09-01

    Knowing the exact number of particles N, and taking this knowledge into account, the quantum canonical ensemble imposes a constraint on the occupation number operators. The constraint particularly hampers the systematic calculation of the partition function and any relevant thermodynamic expectation value for arbitrary but fixed N. On the other hand, fixing only the average number of particles, one may remove the above constraint and simply factorize the traces in Fock space into traces over single-particle states. As is well known, that would be the strategy of the grand-canonical ensemble which, however, comes with an additional Lagrange multiplier to impose the average number of particles. The appearance of this multiplier can be avoided by invoking a projection operator that enables a constraint-free computation of the partition function and its derived quantities in the canonical ensemble, at the price of an angular or contour integration. Introduced in the recent past to handle various issues related to particle-number projected statistics, the projection operator approach proves beneficial to a wide variety of problems in condensed matter physics for which the canonical ensemble offers a natural and appropriate environment. In this light, we present a systematic treatment of the canonical ensemble that embeds the projection operator into the formalism of second quantization while explicitly fixing N, the very number of particles rather than the average. Being applicable to both bosonic and fermionic systems in arbitrary dimensions, transparent integral representations are provided for the partition function ZN and the Helmholtz free energy FN as well as for two- and four-point correlation functions. The chemical potential is not a Lagrange multiplier regulating the average particle number but can be extracted from FN+1 -FN, as illustrated for a two-dimensional fermion gas.

  15. Adsorption and structure of water on kaolinite surfaces: possible insight into ice nucleation from grand canonical monte carlo calculations.

    Science.gov (United States)

    Croteau, T; Bertram, A K; Patey, G N

    2008-10-30

    Grand canonical Monte Carlo calculations are used to determine water adsorption and structure on defect-free kaolinite surfaces as a function of relative humidity at 235 K. This information is then used to gain insight into ice nucleation on kaolinite surfaces. Results for both the SPC/E and TIP5P-E water models are compared and demonstrate that the Al-surface [(001) plane] and both protonated and unprotonated edges [(100) plane] strongly adsorb at atmospherically relevant relative humidities. Adsorption on the Al-surface exhibits properties of a first-order process with evidence of collective behavior, whereas adsorption on the edges is essentially continuous and appears dominated by strong water lattice interactions. For the protonated and unprotonated edges no structure that matches hexagonal ice is observed. For the Al-surface some of the water molecules formed hexagonal rings. However, the a o lattice parameter for these rings is significantly different from the corresponding constant for hexagonal ice ( Ih). A misfit strain of 14.0% is calculated between the hexagonal pattern of water adsorbed on the Al-surface and the basal plane of ice Ih. Hence, the ring structures that form on the Al-surface are not expected to be good building-blocks for ice nucleation due to the large misfit strain.

  16. Testing isotherm models and recovering empirical relationships for adsorption in microporous carbons using virtual carbon models and grand canonical Monte Carlo simulations

    International Nuclear Information System (INIS)

    Terzyk, Artur P; Furmaniak, Sylwester; Gauden, Piotr A; Harris, Peter J F; Wloch, Jerzy

    2008-01-01

    Using the plausible model of activated carbon proposed by Harris and co-workers and grand canonical Monte Carlo simulations, we study the applicability of standard methods for describing adsorption data on microporous carbons widely used in adsorption science. Two carbon structures are studied, one with a small distribution of micropores in the range up to 1 nm, and the other with micropores covering a wide range of porosity. For both structures, adsorption isotherms of noble gases (from Ne to Xe), carbon tetrachloride and benzene are simulated. The data obtained are considered in terms of Dubinin-Radushkevich plots. Moreover, for benzene and carbon tetrachloride the temperature invariance of the characteristic curve is also studied. We show that using simulated data some empirical relationships obtained from experiment can be successfully recovered. Next we test the applicability of Dubinin's related models including the Dubinin-Izotova, Dubinin-Radushkevich-Stoeckli, and Jaroniec-Choma equations. The results obtained demonstrate the limits and applications of the models studied in the field of carbon porosity characterization

  17. A unified thermostat scheme for efficient configurational sampling for classical/quantum canonical ensembles via molecular dynamics

    Science.gov (United States)

    Zhang, Zhijun; Liu, Xinzijian; Chen, Zifei; Zheng, Haifeng; Yan, Kangyu; Liu, Jian

    2017-07-01

    We show a unified second-order scheme for constructing simple, robust, and accurate algorithms for typical thermostats for configurational sampling for the canonical ensemble. When Langevin dynamics is used, the scheme leads to the BAOAB algorithm that has been recently investigated. We show that the scheme is also useful for other types of thermostats, such as the Andersen thermostat and Nosé-Hoover chain, regardless of whether the thermostat is deterministic or stochastic. In addition to analytical analysis, two 1-dimensional models and three typical real molecular systems that range from the gas phase, clusters, to the condensed phase are used in numerical examples for demonstration. Accuracy may be increased by an order of magnitude for estimating coordinate-dependent properties in molecular dynamics (when the same time interval is used), irrespective of which type of thermostat is applied. The scheme is especially useful for path integral molecular dynamics because it consistently improves the efficiency for evaluating all thermodynamic properties for any type of thermostat.

  18. A third-generation density-functional-theory-based method for calculating canonical molecular orbitals of large molecules.

    Science.gov (United States)

    Hirano, Toshiyuki; Sato, Fumitoshi

    2014-07-28

    We used grid-free modified Cholesky decomposition (CD) to develop a density-functional-theory (DFT)-based method for calculating the canonical molecular orbitals (CMOs) of large molecules. Our method can be used to calculate standard CMOs, analytically compute exchange-correlation terms, and maximise the capacity of next-generation supercomputers. Cholesky vectors were first analytically downscaled using low-rank pivoted CD and CD with adaptive metric (CDAM). The obtained Cholesky vectors were distributed and stored on each computer node in a parallel computer, and the Coulomb, Fock exchange, and pure exchange-correlation terms were calculated by multiplying the Cholesky vectors without evaluating molecular integrals in self-consistent field iterations. Our method enables DFT and massively distributed memory parallel computers to be used in order to very efficiently calculate the CMOs of large molecules.

  19. Direct molecular interactions between Beclin 1 and the canonical NFκB activation pathway.

    Science.gov (United States)

    Niso-Santano, Mireia; Criollo, Alfredo; Malik, Shoaib Ahmad; Michaud, Michael; Morselli, Eugenia; Mariño, Guillermo; Lachkar, Sylvie; Galluzzi, Lorenzo; Maiuri, Maria Chaira; Kroemer, Guido

    2012-02-01

    General (macro)autophagy and the activation of NFκB constitute prominent responses to a large array of intracellular and extracellular stress conditions. The depletion of any of the three subunits of the inhibitor of NFκB (IκB) kinase (IKKα, IKKβ, IKKγ/NEMO), each of which is essential for the canonical NFκB activation pathway, limits autophagy induction by physiological or pharmacological triggers, while constitutive active IKK subunits suffice to stimulate autophagy. The activation of IKK usually relies on TGFβ-activated kinase 1 (TAK1), which is also necessary for the optimal induction of autophagy in multiple settings. TAK1 interacts with two structurally similar co-activators, TAK1-binding proteins 2 and 3 (TAB2 and TAB3). Importantly, in resting conditions both TAB2 and TAB3 bind the essential autophagic factor Beclin 1, but not TAK1. In response to pro-autophagic stimuli, TAB2 and TAB3 dissociate from Beclin 1 and engage in stimulatory interactions with TAK1. The inhibitory interaction between TABs and Beclin 1 is mediated by their coiled-coil domains (CCDs). Accordingly, the overexpression of either TAB2 or TAB3 CCD stimulates Beclin 1- and TAK1-dependent autophagy. These results point to the existence of a direct molecular crosstalk between the canonical NFκB activation pathway and the autophagic core machinery that guarantees the coordinated induction of these processes in response to stress.

  20. Non‐Canonical Replication Initiation: You’re Fired!

    Directory of Open Access Journals (Sweden)

    Bazilė Ravoitytė

    2017-01-01

    Full Text Available The division of prokaryotic and eukaryotic cells produces two cells that inherit a perfect copy of the genetic material originally derived from the mother cell. The initiation of canonical DNA replication must be coordinated to the cell cycle to ensure the accuracy of genome duplication. Controlled replication initiation depends on a complex interplay of cis‐acting DNA sequences, the so‐called origins of replication (ori, with trans‐acting factors involved in the onset of DNA synthesis. The interplay of cis‐acting elements and trans‐acting factors ensures that cells initiate replication at sequence‐specific sites only once, and in a timely order, to avoid chromosomal endoreplication. However, chromosome breakage and excessive RNA:DNA hybrid formation can cause breakinduced (BIR or transcription‐initiated replication (TIR, respectively. These non‐canonical replication events are expected to affect eukaryotic genome function and maintenance, and could be important for genome evolution and disease development. In this review, we describe the difference between canonical and non‐canonical DNA replication, and focus on mechanistic differences and common features between BIR and TIR. Finally, we discuss open issues on the factors and molecular mechanisms involved in TIR.

  1. A Molecular Theory for Gatekeeper Proteins; FINAL

    International Nuclear Information System (INIS)

    FRINK, LAURA J. D.; SALINGER, ANDREW G.

    1999-01-01

    Predicting the behavior of ion channel proteins is important for understanding biological effects of drugs and toxins. These problems involve steady state transport of ions through very small (1-2 atoms wide) pores. FY99 LDRD funding was used to begin investigations of ion channel proteins using a molecular theory approach. Much of our efforts involved establishing the soundness of the approach by direct comparison with grand canonical molecular dynamics simulations of simple model systems. In addition, several dimensional ion channel models have been implemented to demonstrate the viability of the approach, The seed funding provided by this LDRD grant resulted in 50K of DOWOBER funds for FY99, an invitation to submit a full length 0(500K) proposal for consideration to DOWOBER, and start a larger LDRD effort in computational biophysics beginning in FY00

  2. Zeolite-templated carbon replica: a grand canonical Monte-Carlo simulation study

    International Nuclear Information System (INIS)

    Roussel, Th.; Pellenq, R.J.M.; Bichara, Ch.; Gadiou, R.; Didion, A.; Vix-Guterl, C.; Gaslain, F.; Parmentier, J.; Valtchev, V.; Patarin, J.

    2005-01-01

    Microporous carbon materials are interesting for several applications such as hydrogen storage, catalysis or electrical double layer capacitors. The development of the negative templating method to obtain carbon replicas from ordered templates, has lead to the synthesis of several new materials which have interesting textural properties, attractive for energy storage. Among the possible templates, zeolites can be used to obtain highly microporous carbon materials. Nevertheless, the phenomena involved in the replica synthesis are not fully understood, and the relationships between the structure of the template, the carbon precursor and the resulting carbon material need to be investigated. Experimental results for carbon zeolite-templated nano-structures can be found in a series of papers; see for instance ref. [1] in which Wang et al describe a route to ultra-small Single Wall Carbon Nano-tubes (SWNTs) using the porosity of zeolite AlPO 4 -5. After matrix removal, the resulting structure is a free-standing bundle of 4 Angstroms large nano-tubes. However, it is highly desirable to obtain an ordered porous carbon structure that forms a real 3D network to be used for instance in gas storage applications. Carbon replica of faujasite and EMT zeolites can have these properties since these zeolites have a 3D porous network made of 10 Angstroms cages connected to each other through 7 Angstroms large windows. The first step of this study was to generate a theoretical carbon replica structure of various zeolites (faujasite, EMT, AlPO 4 -5, silicalite). For this purpose, we used the Grand Canonical Monte-Carlo (GCMC) technique in which the carbon-carbon interactions were described within the frame of a newly developed Tight Binding approach and the carbon-zeolite interactions assumed to be characteristic of physisorption. The intrinsic stability of the subsequent carbon nano-structures was then investigated after mimicking the removal of the inorganic phase by switching

  3. Molecular identification of Hepatozoon canis in dogs from Campo Grande, Mato Grosso do Sul, Brazil

    OpenAIRE

    Ramos,Carlos Alberto do Nascimento; Babo-Terra,Verônica Jorge; Pedroso,Thatianna Camillo; Souza Filho,Antônio Francisco; Ribeiro de Araújo,Flábio; Cleveland,Herbert Patric Kellermann

    2015-01-01

    The aim of this study was to investigate the occurrence of Hepatozoon species infecting dogs in the municipality of Campo Grande, Mato Grosso do Sul (MS), Brazil, using blood samples (n = 165) drawn from dogs. The species Hepatozoon caniswas identified in 3.63% of the tested animals using molecular tools. Further studies are needed to determine the clinical relevance of this infection and the main arthropod vectors involved in its transmission.

  4. Molecular identification of Hepatozoon canis in dogs from Campo Grande, Mato Grosso do Sul, Brazil

    Directory of Open Access Journals (Sweden)

    Carlos Alberto do Nascimento Ramos

    Full Text Available The aim of this study was to investigate the occurrence of Hepatozoon species infecting dogs in the municipality of Campo Grande, Mato Grosso do Sul (MS, Brazil, using blood samples (n = 165 drawn from dogs. The species Hepatozoon caniswas identified in 3.63% of the tested animals using molecular tools. Further studies are needed to determine the clinical relevance of this infection and the main arthropod vectors involved in its transmission.

  5. Molecular identification of Hepatozoon canis in dogs from Campo Grande, Mato Grosso do Sul, Brazil.

    Science.gov (United States)

    Ramos, Carlos Alberto do Nascimento; Babo-Terra, Verônica Jorge; Pedroso, Thatianna Camillo; Souza Filho, Antônio Francisco; de Araújo, Flábio Ribeiro; Cleveland, Herbert Patric Kellermann

    2015-01-01

    The aim of this study was to investigate the occurrence of Hepatozoon species infecting dogs in the municipality of Campo Grande, Mato Grosso do Sul (MS), Brazil, using blood samples (n = 165) drawn from dogs. The species Hepatozoon canis was identified in 3.63% of the tested animals using molecular tools. Further studies are needed to determine the clinical relevance of this infection and the main arthropod vectors involved in its transmission.

  6. Stratification-induced order--disorder phase transitions in molecularly thin confined films

    International Nuclear Information System (INIS)

    Schoen, M.; Diestler, D.J.; Cushman, J.H.

    1994-01-01

    By means of grand canonical ensemble Monte Carlo simulations of a monatomic film confined between unstructured (i.e., molecularly smooth) rigidly fixed solid surfaces (i.e., walls), we investigate the mechanism of molecular stratification, i.e., the tendency of atoms to arrange themselves in layers parallel with the walls. Stratification is accompanied by a heretofore unnoticed order--disorder phase transition manifested as a maximum in density fluctuations at the transition point. The transition involves phases with different transverse packing characteristics, although the number of layers accommodated between the walls remains unchanged during the transition, which occurs periodically as the film thickens. However, with increasing thickness, an increasingly smaller proportion of the film is structurally affected by the transition. Thus, the associated maximum in density fluctuations diminishes rapidly with film thickness

  7. Novel MOF-membrane for molecular sieving predicted by IR-diffusion studies and molecular modeling

    NARCIS (Netherlands)

    Bux, H.; Chmelik, C.; van Baten, J.M.; Krishna, R.; Caro, J.

    2010-01-01

    The predicted permeation selectivity of a binary gas mixture for a metal-organic framework ZIF-8 membrane was estimated from combined Grand Canonical Monte Carlo (GCMC) simulations and infrared microscopy (IRM) data and compared with permeation measurements on a ZIF-8 membrane. It is shown that

  8. El canon literario peruano

    Directory of Open Access Journals (Sweden)

    Carlos García-Bedoya Maguiña

    2011-05-01

    Full Text Available Canon es un concepto clave en la historia literaria. En el presente artículo,se revisa la evolución histórica del canon literario peruano. Es solo con la llamada República Aristocrática, en las primeras décadas del siglo XX, que cabe hablar en el caso peruano de la formación de un auténtico canon nacional. El autor denomina a esta primera versión del canon literario peruano como canon oligárquico y destaca la importancia de la obra de Riva Agüero y de Ventura García Calderón en su configuración. Es solo más tarde, desde los años 20 y de modo definitivo desde los años 50, que puede hablarse de la emergencia de un nuevo canon literarioal que el autor propone determinar canon posoligárquico.

  9. Whose Canon? Culturalization versus Democratization

    Directory of Open Access Journals (Sweden)

    Erling Bjurström

    2012-06-01

    Full Text Available Current accounts – and particularly the critique – of canon formation are primarily based on some form of identity politics. In the 20th century a representational model of social identities replaced cultivation as the primary means to democratize the canons of the fine arts. In a parallel development, the discourse on canons has shifted its focus from processes of inclusion to those of exclusion. This shift corresponds, on the one hand, to the construction of so-called alternative canons or counter-canons, and, on the other hand, to attempts to restore the authority of canons considered to be in a state of crisis or decaying. Regardless of the democratic stance of these efforts, the construction of alternatives or the reestablishment of decaying canons does not seem to achieve their aims, since they break with the explicit and implicit rules of canon formation. Politically motivated attempts to revise or restore a specific canon make the workings of canon formation too visible, transparent and calculated, thereby breaking the spell of its imaginary character. Retracing the history of the canonization of the fine arts reveals that it was originally tied to the disembedding of artists and artworks from social and worldly affairs, whereas debates about canons of the fine arts since the end of the 20th century are heavily dependent on their social, cultural and historical reembedding. The latter has the character of disenchantment, but has also fettered the canon debate in notions of “our” versus “their” culture. However, by emphasizing the dedifferentiation of contemporary processes of culturalization, the advancing canonization of popular culture seems to be able to break with identity politics that foster notions of “our” culture in the present thinking on canons, and push it in a more transgressive, syncretic or hybrid direction.

  10. Canonical Information Analysis

    DEFF Research Database (Denmark)

    Vestergaard, Jacob Schack; Nielsen, Allan Aasbjerg

    2015-01-01

    is replaced by the information theoretical, entropy based measure mutual information, which is a much more general measure of association. We make canonical information analysis feasible for large sample problems, including for example multispectral images, due to the use of a fast kernel density estimator......Canonical correlation analysis is an established multivariate statistical method in which correlation between linear combinations of multivariate sets of variables is maximized. In canonical information analysis introduced here, linear correlation as a measure of association between variables...... for entropy estimation. Canonical information analysis is applied successfully to (1) simple simulated data to illustrate the basic idea and evaluate performance, (2) fusion of weather radar and optical geostationary satellite data in a situation with heavy precipitation, and (3) change detection in optical...

  11. The dark sector from interacting canonical and non-canonical scalar fields

    International Nuclear Information System (INIS)

    De Souza, Rudinei C; Kremer, Gilberto M

    2010-01-01

    In this work general models with interactions between two canonical scalar fields and between one non-canonical (tachyon type) and one canonical scalar field are investigated. The potentials and couplings to the gravity are selected through the Noether symmetry approach. These general models are employed to describe interactions between dark energy and dark matter, with the fields being constrained by the astronomical data. The cosmological solutions of some cases are compared with the observed evolution of the late Universe.

  12. Both canonical and non-canonical Wnt signaling independently promote stem cell growth in mammospheres.

    Directory of Open Access Journals (Sweden)

    Alexander M Many

    Full Text Available The characterization of mammary stem cells, and signals that regulate their behavior, is of central importance in understanding developmental changes in the mammary gland and possibly for targeting stem-like cells in breast cancer. The canonical Wnt/β-catenin pathway is a signaling mechanism associated with maintenance of self-renewing stem cells in many tissues, including mammary epithelium, and can be oncogenic when deregulated. Wnt1 and Wnt3a are examples of ligands that activate the canonical pathway. Other Wnt ligands, such as Wnt5a, typically signal via non-canonical, β-catenin-independent, pathways that in some cases can antagonize canonical signaling. Since the role of non-canonical Wnt signaling in stem cell regulation is not well characterized, we set out to investigate this using mammosphere formation assays that reflect and quantify stem cell properties. Ex vivo mammosphere cultures were established from both wild-type and Wnt1 transgenic mice and were analyzed in response to manipulation of both canonical and non-canonical Wnt signaling. An increased level of mammosphere formation was observed in cultures derived from MMTV-Wnt1 versus wild-type animals, and this was blocked by treatment with Dkk1, a selective inhibitor of canonical Wnt signaling. Consistent with this, we found that a single dose of recombinant Wnt3a was sufficient to increase mammosphere formation in wild-type cultures. Surprisingly, we found that Wnt5a also increased mammosphere formation in these assays. We confirmed that this was not caused by an increase in canonical Wnt/β-catenin signaling but was instead mediated by non-canonical Wnt signals requiring the receptor tyrosine kinase Ror2 and activity of the Jun N-terminal kinase, JNK. We conclude that both canonical and non-canonical Wnt signals have positive effects promoting stem cell activity in mammosphere assays and that they do so via independent signaling mechanisms.

  13. Multiple Time-Step Dual-Hamiltonian Hybrid Molecular Dynamics - Monte Carlo Canonical Propagation Algorithm.

    Science.gov (United States)

    Chen, Yunjie; Kale, Seyit; Weare, Jonathan; Dinner, Aaron R; Roux, Benoît

    2016-04-12

    A multiple time-step integrator based on a dual Hamiltonian and a hybrid method combining molecular dynamics (MD) and Monte Carlo (MC) is proposed to sample systems in the canonical ensemble. The Dual Hamiltonian Multiple Time-Step (DHMTS) algorithm is based on two similar Hamiltonians: a computationally expensive one that serves as a reference and a computationally inexpensive one to which the workload is shifted. The central assumption is that the difference between the two Hamiltonians is slowly varying. Earlier work has shown that such dual Hamiltonian multiple time-step schemes effectively precondition nonlinear differential equations for dynamics by reformulating them into a recursive root finding problem that can be solved by propagating a correction term through an internal loop, analogous to RESPA. Of special interest in the present context, a hybrid MD-MC version of the DHMTS algorithm is introduced to enforce detailed balance via a Metropolis acceptance criterion and ensure consistency with the Boltzmann distribution. The Metropolis criterion suppresses the discretization errors normally associated with the propagation according to the computationally inexpensive Hamiltonian, treating the discretization error as an external work. Illustrative tests are carried out to demonstrate the effectiveness of the method.

  14. Fast Computation of Solvation Free Energies with Molecular Density Functional Theory: Thermodynamic-Ensemble Partial Molar Volume Corrections.

    Science.gov (United States)

    Sergiievskyi, Volodymyr P; Jeanmairet, Guillaume; Levesque, Maximilien; Borgis, Daniel

    2014-06-05

    Molecular density functional theory (MDFT) offers an efficient implicit-solvent method to estimate molecule solvation free-energies, whereas conserving a fully molecular representation of the solvent. Even within a second-order approximation for the free-energy functional, the so-called homogeneous reference fluid approximation, we show that the hydration free-energies computed for a data set of 500 organic compounds are of similar quality as those obtained from molecular dynamics free-energy perturbation simulations, with a computer cost reduced by 2-3 orders of magnitude. This requires to introduce the proper partial volume correction to transform the results from the grand canonical to the isobaric-isotherm ensemble that is pertinent to experiments. We show that this correction can be extended to 3D-RISM calculations, giving a sound theoretical justification to empirical partial molar volume corrections that have been proposed recently.

  15. Three dimensional canonical transformations

    International Nuclear Information System (INIS)

    Tegmen, A.

    2010-01-01

    A generic construction of canonical transformations is given in three-dimensional phase spaces on which Nambu bracket is imposed. First, the canonical transformations are defined as based on cannonade transformations. Second, it is shown that determination of the generating functions and the transformation itself for given generating function is possible by solving correspondent Pfaffian differential equations. Generating functions of type are introduced and all of them are listed. Infinitesimal canonical transformations are also discussed as the complementary subject. Finally, it is shown that decomposition of canonical transformations is also possible in three-dimensional phase spaces as in the usual two-dimensional ones.

  16. Multilayer adsorption of C{sub 2}H{sub 4} and CF{sub 4} on graphite: Grand Canonical Monte Carlo simulation

    Energy Technology Data Exchange (ETDEWEB)

    Abdelatif, H., E-mail: habdelatif@usthb.dz; Drir, M., E-mail: mdrir@usthb.dz

    2016-11-10

    Highlights: • Finite number of layers, at saturated pressure, is found for low temperatures. • A layer is represented by a sharp step which is a first order phase transition. • A thin film to thick film transition around the triple point is observed. • Temperatures and relative pressures of layers formation and phase diagrams are given. - Abstract: We study the phase transitions in adsorbed multilayers by Grand Canonical Monte Carlo simulations (GCMC) of the lattice-gas model. The focus will be on ethylene (C{sub 2}H{sub 4}) and tetrafluoromethane (CF{sub 4}) on a homogeneous graphite surface. Earlier simulations of these systems investigated structural properties, dynamical behaviors of adsorbed films and thermodynamic quantities such as isosteric heat. The main purpose of this study is to consider the adsorbed multilayers by the evaluation of the layering behavior, the wetting phenomena and the critical temperatures. The isotherms obtained for temperature from 50 K to 170 K reproduce a number of interesting features observed experimentally: (i) we observe an important number of layers in contrast with previous simulations, (ii) a finite number of layers at saturated pressure for low temperatures are found, (iii) the isotherms present vertical steps typical of layer-by-layer growth, at higher temperatures these distinct layers tend to disappear signifying that the film thickness increases continuously, (iv) a thin film to thick film transition near the triple point temperature is noticed. In addition to this qualitative description, quantitative information are determined including temperatures and relative pressures of layers formation, layer-critical-point temperatures and phase diagrams. Comparing the two systems, ethylene/graphite and tetrafluoromethane/graphite, we observe a qualitatively similar behavior.

  17. Canonical methods in classical and quantum gravity: An invitation to canonical LQG

    Science.gov (United States)

    Reyes, Juan D.

    2018-04-01

    Loop Quantum Gravity (LQG) is a candidate quantum theory of gravity still under construction. LQG was originally conceived as a background independent canonical quantization of Einstein’s general relativity theory. This contribution provides some physical motivations and an overview of some mathematical tools employed in canonical Loop Quantum Gravity. First, Hamiltonian classical methods are reviewed from a geometric perspective. Canonical Dirac quantization of general gauge systems is sketched next. The Hamiltonian formultation of gravity in geometric ADM and connection-triad variables is then presented to finally lay down the canonical loop quantization program. The presentation is geared toward advanced undergradute or graduate students in physics and/or non-specialists curious about LQG.

  18. Canonical transformations of Kepler trajectories

    International Nuclear Information System (INIS)

    Mostowski, Jan

    2010-01-01

    In this paper, canonical transformations generated by constants of motion in the case of the Kepler problem are discussed. It is shown that canonical transformations generated by angular momentum are rotations of the trajectory. Particular attention is paid to canonical transformations generated by the Runge-Lenz vector. It is shown that these transformations change the eccentricity of the orbit. A method of obtaining elliptic trajectories from the circular ones with the help of canonical trajectories is discussed.

  19. Canonical phase diagrams of the 1D Falicov-Kimball model at T = O

    Science.gov (United States)

    Gajek, Z.; Jȩdrzejewski, J.; Lemański, R.

    1996-02-01

    The Falicov-Kimball model of spinless quantum electrons hopping on a 1-dimensional lattice and of immobile classical ions occupying some lattice sites, with only intrasite coupling between those particles, have been studied at zero temperature by means of well-controlled numerical procedures. For selected values of the unique coupling parameter U the restricted phase diagrams (based on all the periodic configurations of localized particles (ions) with period not greater than 16 lattice constants, typically) have been constructed in the grand-canonical ensemble. Then these diagrams have been translated into the canonical ensemble. Compared to the diagrams obtained in other studies our ones contain more details, in particular they give better insight into the way the mixtures of periodic phases are formed. Our study has revealed several families of new characteristic phases like the generalized most homogeneous and the generalized crenel phases, a first example of a structural phase transition and a tendency to build up an additional symmetry - the hole-particle symmetry with respect to the ions (electrons) only, as U decreases.

  20. Canonical quantum gravity and consistent discretizations

    Indian Academy of Sciences (India)

    Abstract. This paper covers some developments in canonical quantum gravity that ... derstanding the real Ashtekar variables four dimensionally [4], or the recent work ... Traditionally, canonical formulations of general relativity considered as canonical variables the metric on a spatial slice qab and a canonically conjugate.

  1. Non-canonical transcription initiation: the expanding universe of transcription initiating substrates

    Czech Academy of Sciences Publication Activity Database

    Barvík, I.; Rejman, Dominik; Panova, Natalya; Šanderová, Hana; Krásný, Libor

    2017-01-01

    Roč. 41, č. 2 (2017), s. 131-138 ISSN 0168-6445 R&D Projects: GA ČR GA15-05228S; GA ČR GA15-11711S Institutional support: RVO:61388963 ; RVO:61388971 Keywords : RNA polymerase * non-canonical transcription initiation * transcription initiating substrate * nicotinamide adenine dinucleotide (NAD(+)) * coenzymes * RNA stability Subject RIV: EB - Genetics ; Molecular Biology; EE - Microbiology, Virology (MBU-M) OBOR OECD: Biochemistry and molecular biology; Microbiology (MBU-M) Impact factor: 12.198, year: 2016

  2. La lectura literaria ante nuevos retos: canon y mediación en la trayectoria lectora de futuros profesores

    Directory of Open Access Journals (Sweden)

    José D. Dueñas

    2014-01-01

    Full Text Available A partir del análisis de más de sesenta informes sobre la propia trayectoria lectora de estudiantes de segundo de Magisterio de Educación Infantil y de Educación Primaria durante los cursos 2011/12 y 2012/13, hemos apreciado algunas relaciones, a nuestro juicio, relevantes entre formas de mediación, canon lector y hábitos de lectura. De este modo, hemos observado algunos estilos de mediación que parecen conducir con mayores garantías a trayectorias lectoras de éxito. Hemos clasificado a nuestros informantes en tres grandes grupos de acuerdo con el canon lector en que están instalados: lectores de canon académico, no lectores y lectores de canon social. La mayor o menor calidad de la mediación parece decisiva en buena parte de los casos. Tanto en el ámbito académico como en el familiar la mediación adquiere, en nuestra opinión, mayor eficiencia cuando se traduce en modelos de comportamiento y no solo en recomendaciones verbales, cuando va acompañada de complicidad afectiva o cuando la lectura literaria conecta con aspectos sustanciales de la propia vida. Las prácticas docentes universitarias han de proporcionar sobre todo a los estudiantes experiencias gratificantes de lectura.

  3. Molecular dynamics simulations of solutions at constant chemical potential

    Science.gov (United States)

    Perego, C.; Salvalaglio, M.; Parrinello, M.

    2015-04-01

    Molecular dynamics studies of chemical processes in solution are of great value in a wide spectrum of applications, which range from nano-technology to pharmaceutical chemistry. However, these calculations are affected by severe finite-size effects, such as the solution being depleted as the chemical process proceeds, which influence the outcome of the simulations. To overcome these limitations, one must allow the system to exchange molecules with a macroscopic reservoir, thus sampling a grand-canonical ensemble. Despite the fact that different remedies have been proposed, this still represents a key challenge in molecular simulations. In the present work, we propose the Constant Chemical Potential Molecular Dynamics (CμMD) method, which introduces an external force that controls the environment of the chemical process of interest. This external force, drawing molecules from a finite reservoir, maintains the chemical potential constant in the region where the process takes place. We have applied the CμMD method to the paradigmatic case of urea crystallization in aqueous solution. As a result, we have been able to study crystal growth dynamics under constant supersaturation conditions and to extract growth rates and free-energy barriers.

  4. Canonical vs. micro-canonical sampling methods in a 2D Ising model

    International Nuclear Information System (INIS)

    Kepner, J.

    1990-12-01

    Canonical and micro-canonical Monte Carlo algorithms were implemented on a 2D Ising model. Expressions for the internal energy, U, inverse temperature, Z, and specific heat, C, are given. These quantities were calculated over a range of temperature, lattice sizes, and time steps. Both algorithms accurately simulate the Ising model. To obtain greater than three decimal accuracy from the micro-canonical method requires that the more complicated expression for Z be used. The overall difference between the algorithms is small. The physics of the problem under study should be the deciding factor in determining which algorithm to use. 13 refs., 6 figs., 2 tabs

  5. A Grand Canonical Monte Carlo Molecular Study of a Weak Polyampholyte

    KAUST Repository

    Jimenez, Arturo Martinez

    2016-01-01

    that require a pH-triggerable response. The titration behaviors of diblock and random polyampholytes are simulated as a function of solvent quality, electrostatic strength, and salt concentration. For diblock polyampholyte chains in hydrophobic solvents

  6. Hysteresis in clay swelling induced by hydrogen bonding: accurate prediction of swelling states

    NARCIS (Netherlands)

    Tambach, T.J.; Bolhuis, P.G.; Hensen, E.J.M.; Smit, B.

    2006-01-01

    We perform grand-canonical molecular simulations to study the molecular mechanism of clay swelling hysteresis as a function of the relative humidity. In particular, we focus on the transition from the one- to the two-layer hydrate and the influence of three types of counterions (Li+, Na+, and K+).

  7. Investigation of the Linker Swing Motion in the Zeolitic Imidazolate Framework ZIF-90

    KAUST Repository

    Zheng, Bin; Fu, Fang; Wang, Lian Li; Yang, Limin; Zhu, Yihan; Du, Huiling

    2018-01-01

    The linker swing motion in the zeolitic imidazolate framework ZIF-90 is investigated by density functional theory (DFT) calculation, molecular dynamics (MD) and grand-canonical Monte Carlo (GCMC) simulations. The relation between the terminal

  8. Titchmarsh-Weyl theory for canonical systems

    Directory of Open Access Journals (Sweden)

    Keshav Raj Acharya

    2014-11-01

    Full Text Available The main purpose of this paper is to develop Titchmarsh- Weyl theory of canonical systems. To this end, we first observe the fact that Schrodinger and Jacobi equations can be written into canonical systems. We then discuss the theory of Weyl m-function for canonical systems and establish the relation between the Weyl m-functions of Schrodinger equations and that of canonical systems which involve Schrodinger equations.

  9. A semi-grand canonical Monte Carlo simulation model for ion binding to ionizable surfaces: proton binding of carboxylated latex particles as a case study.

    Science.gov (United States)

    Madurga, Sergio; Rey-Castro, Carlos; Pastor, Isabel; Vilaseca, Eudald; David, Calin; Garcés, Josep Lluís; Puy, Jaume; Mas, Francesc

    2011-11-14

    In this paper, we present a computer simulation study of the ion binding process at an ionizable surface using a semi-grand canonical Monte Carlo method that models the surface as a discrete distribution of charged and neutral functional groups in equilibrium with explicit ions modelled in the context of the primitive model. The parameters of the simulation model were tuned and checked by comparison with experimental titrations of carboxylated latex particles in the presence of different ionic strengths of monovalent ions. The titration of these particles was analysed by calculating the degree of dissociation of the latex functional groups vs. pH curves at different background salt concentrations. As the charge of the titrated surface changes during the simulation, a procedure to keep the electroneutrality of the system is required. Here, two approaches are used with the choice depending on the ion selected to maintain electroneutrality: counterion or coion procedures. We compare and discuss the difference between the procedures. The simulations also provided a microscopic description of the electrostatic double layer (EDL) structure as a function of pH and ionic strength. The results allow us to quantify the effect of the size of the background salt ions and of the surface functional groups on the degree of dissociation. The non-homogeneous structure of the EDL was revealed by plotting the counterion density profiles around charged and neutral surface functional groups. © 2011 American Institute of Physics

  10. Canonical variate regression.

    Science.gov (United States)

    Luo, Chongliang; Liu, Jin; Dey, Dipak K; Chen, Kun

    2016-07-01

    In many fields, multi-view datasets, measuring multiple distinct but interrelated sets of characteristics on the same set of subjects, together with data on certain outcomes or phenotypes, are routinely collected. The objective in such a problem is often two-fold: both to explore the association structures of multiple sets of measurements and to develop a parsimonious model for predicting the future outcomes. We study a unified canonical variate regression framework to tackle the two problems simultaneously. The proposed criterion integrates multiple canonical correlation analysis with predictive modeling, balancing between the association strength of the canonical variates and their joint predictive power on the outcomes. Moreover, the proposed criterion seeks multiple sets of canonical variates simultaneously to enable the examination of their joint effects on the outcomes, and is able to handle multivariate and non-Gaussian outcomes. An efficient algorithm based on variable splitting and Lagrangian multipliers is proposed. Simulation studies show the superior performance of the proposed approach. We demonstrate the effectiveness of the proposed approach in an [Formula: see text] intercross mice study and an alcohol dependence study. © The Author 2016. Published by Oxford University Press. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  11. Functional Multiple-Set Canonical Correlation Analysis

    Science.gov (United States)

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

    2012-01-01

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

  12. Molecular simulation of water removal from simple gases with zeolite NaA.

    Science.gov (United States)

    Csányi, Eva; Ható, Zoltán; Kristóf, Tamás

    2012-06-01

    Water vapor removal from some simple gases using zeolite NaA was studied by molecular simulation. The equilibrium adsorption properties of H(2)O, CO, H(2), CH(4) and their mixtures in dehydrated zeolite NaA were computed by grand canonical Monte Carlo simulations. The simulations employed Lennard-Jones + Coulomb type effective pair potential models, which are suitable for the reproduction of thermodynamic properties of pure substances. Based on the comparison of the simulation results with experimental data for single-component adsorption at different temperatures and pressures, a modified interaction potential model for the zeolite is proposed. In the adsorption simulations with mixtures presented here, zeolite exhibits extremely high selectivity of water to the investigated weakly polar/non-polar gases demonstrating the excellent dehydration ability of zeolite NaA in engineering applications.

  13. Geometric integrator for simulations in the canonical ensemble

    Energy Technology Data Exchange (ETDEWEB)

    Tapias, Diego, E-mail: diego.tapias@nucleares.unam.mx [Departamento de Física, Facultad de Ciencias, Universidad Nacional Autónoma de México, Ciudad Universitaria, Ciudad de México 04510 (Mexico); Sanders, David P., E-mail: dpsanders@ciencias.unam.mx [Departamento de Física, Facultad de Ciencias, Universidad Nacional Autónoma de México, Ciudad Universitaria, Ciudad de México 04510 (Mexico); Computer Science and Artificial Intelligence Laboratory, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139 (United States); Bravetti, Alessandro, E-mail: alessandro.bravetti@iimas.unam.mx [Instituto de Investigaciones en Matemáticas Aplicadas y en Sistemas, Universidad Nacional Autónoma de México, Ciudad Universitaria, Ciudad de México 04510 (Mexico)

    2016-08-28

    We introduce a geometric integrator for molecular dynamics simulations of physical systems in the canonical ensemble that preserves the invariant distribution in equations arising from the density dynamics algorithm, with any possible type of thermostat. Our integrator thus constitutes a unified framework that allows the study and comparison of different thermostats and of their influence on the equilibrium and non-equilibrium (thermo-)dynamic properties of a system. To show the validity and the generality of the integrator, we implement it with a second-order, time-reversible method and apply it to the simulation of a Lennard-Jones system with three different thermostats, obtaining good conservation of the geometrical properties and recovering the expected thermodynamic results. Moreover, to show the advantage of our geometric integrator over a non-geometric one, we compare the results with those obtained by using the non-geometric Gear integrator, which is frequently used to perform simulations in the canonical ensemble. The non-geometric integrator induces a drift in the invariant quantity, while our integrator has no such drift, thus ensuring that the system is effectively sampling the correct ensemble.

  14. Geometric integrator for simulations in the canonical ensemble

    International Nuclear Information System (INIS)

    Tapias, Diego; Sanders, David P.; Bravetti, Alessandro

    2016-01-01

    We introduce a geometric integrator for molecular dynamics simulations of physical systems in the canonical ensemble that preserves the invariant distribution in equations arising from the density dynamics algorithm, with any possible type of thermostat. Our integrator thus constitutes a unified framework that allows the study and comparison of different thermostats and of their influence on the equilibrium and non-equilibrium (thermo-)dynamic properties of a system. To show the validity and the generality of the integrator, we implement it with a second-order, time-reversible method and apply it to the simulation of a Lennard-Jones system with three different thermostats, obtaining good conservation of the geometrical properties and recovering the expected thermodynamic results. Moreover, to show the advantage of our geometric integrator over a non-geometric one, we compare the results with those obtained by using the non-geometric Gear integrator, which is frequently used to perform simulations in the canonical ensemble. The non-geometric integrator induces a drift in the invariant quantity, while our integrator has no such drift, thus ensuring that the system is effectively sampling the correct ensemble.

  15. Quaternion Linear Canonical Transform Application

    OpenAIRE

    Bahri, Mawardi

    2015-01-01

    Quaternion linear canonical transform (QLCT) is a generalization of the classical linear canonical transfom (LCT) using quaternion algebra. The focus of this paper is to introduce an application of the QLCT to study of generalized swept-frequency filter

  16. Canonical transformations and generating functionals

    NARCIS (Netherlands)

    Broer, L.J.F.; Kobussen, J.A.

    1972-01-01

    It is shown that canonical transformations for field variables in hamiltonian partial differential equations can be obtained from generating functionals in the same way as classical canonical transformations from generating functions. A simple proof of the relation between infinitesimal invariant

  17. Log canonical thresholds of smooth Fano threefolds

    International Nuclear Information System (INIS)

    Cheltsov, Ivan A; Shramov, Konstantin A

    2008-01-01

    The complex singularity exponent is a local invariant of a holomorphic function determined by the integrability of fractional powers of the function. The log canonical thresholds of effective Q-divisors on normal algebraic varieties are algebraic counterparts of complex singularity exponents. For a Fano variety, these invariants have global analogues. In the former case, it is the so-called α-invariant of Tian; in the latter case, it is the global log canonical threshold of the Fano variety, which is the infimum of log canonical thresholds of all effective Q-divisors numerically equivalent to the anticanonical divisor. An appendix to this paper contains a proof that the global log canonical threshold of a smooth Fano variety coincides with its α-invariant of Tian. The purpose of the paper is to compute the global log canonical thresholds of smooth Fano threefolds (altogether, there are 105 deformation families of such threefolds). The global log canonical thresholds are computed for every smooth threefold in 64 deformation families, and the global log canonical thresholds are computed for a general threefold in 20 deformation families. Some bounds for the global log canonical thresholds are computed for 14 deformation families. Appendix A is due to J.-P. Demailly.

  18. Classifying Linear Canonical Relations

    OpenAIRE

    Lorand, Jonathan

    2015-01-01

    In this Master's thesis, we consider the problem of classifying, up to conjugation by linear symplectomorphisms, linear canonical relations (lagrangian correspondences) from a finite-dimensional symplectic vector space to itself. We give an elementary introduction to the theory of linear canonical relations and present partial results toward the classification problem. This exposition should be accessible to undergraduate students with a basic familiarity with linear algebra.

  19. Are neoclassical canons valid for southern Chinese faces?

    Directory of Open Access Journals (Sweden)

    Yasas S N Jayaratne

    Full Text Available BACKGROUND: Proportions derived from neoclassical canons, initially described by Renaissance sculptors and painters, are still being employed as aesthetic guidelines during the clinical assessment of the facial morphology. OBJECTIVE: 1. to determine the applicability of neoclassical canons for Southern Chinese faces and 2. to explore gender differences in relation to the applicability of the neoclassical canons and their variants. METHODOLOGY: 3-D photographs acquired from 103 young adults (51 males and 52 females without facial dysmorphology were used to test applicability of four neoclassical canons. Standard anthropometric measurements that determine the facial canons were made on these 3-D images. The validity of the canons as well as their different variants were quantified. PRINCIPAL FINDINGS: The neoclassical cannons seldom applied to these individuals, and facial three-section and orbital canons did not apply at all. The orbitonasal canon was most frequently applicable, with a frequency of 19%. Significant sexual dimorphism was found relative to the prevalence of the variants of facial three-section and orbitonasal canons. CONCLUSION: The neoclassical canons did not appear to apply to our sample when rigorous quantitative measurements were employed. Thus, they should not be used as esthetic goals for craniofacial surgical interventions.

  20. Minimal canonical comprehensive Gröbner systems

    OpenAIRE

    Manubens, Montserrat; Montes, Antonio

    2009-01-01

    This is the continuation of Montes' paper "On the canonical discussion of polynomial systems with parameters''. In this paper, we define the Minimal Canonical Comprehensive Gröbner System of a parametric ideal and fix under which hypothesis it exists and is computable. An algorithm to obtain a canonical description of the segments of the Minimal Canonical CGS is given, thus completing the whole MCCGS algorithm (implemented in Maple and Singular). We show its high utility for applications, suc...

  1. Robust canonical correlations: A comparative study

    OpenAIRE

    Branco, JA; Croux, Christophe; Filzmoser, P; Oliveira, MR

    2005-01-01

    Several approaches for robust canonical correlation analysis will be presented and discussed. A first method is based on the definition of canonical correlation analysis as looking for linear combinations of two sets of variables having maximal (robust) correlation. A second method is based on alternating robust regressions. These methods axe discussed in detail and compared with the more traditional approach to robust canonical correlation via covariance matrix estimates. A simulation study ...

  2. Canonical Labelling of Site Graphs

    Directory of Open Access Journals (Sweden)

    Nicolas Oury

    2013-06-01

    Full Text Available We investigate algorithms for canonical labelling of site graphs, i.e. graphs in which edges bind vertices on sites with locally unique names. We first show that the problem of canonical labelling of site graphs reduces to the problem of canonical labelling of graphs with edge colourings. We then present two canonical labelling algorithms based on edge enumeration, and a third based on an extension of Hopcroft's partition refinement algorithm. All run in quadratic worst case time individually. However, one of the edge enumeration algorithms runs in sub-quadratic time for graphs with "many" automorphisms, and the partition refinement algorithm runs in sub-quadratic time for graphs with "few" bisimulation equivalences. This suite of algorithms was chosen based on the expectation that graphs fall in one of those two categories. If that is the case, a combined algorithm runs in sub-quadratic worst case time. Whether this expectation is reasonable remains an interesting open problem.

  3. Explicit symplectic integrators of molecular dynamics algorithms for rigid-body molecules in the canonical, isobaric-isothermal, and related ensembles.

    Science.gov (United States)

    Okumura, Hisashi; Itoh, Satoru G; Okamoto, Yuko

    2007-02-28

    The authors propose explicit symplectic integrators of molecular dynamics (MD) algorithms for rigid-body molecules in the canonical and isobaric-isothermal ensembles. They also present a symplectic algorithm in the constant normal pressure and lateral surface area ensemble and that combined with the Parrinello-Rahman algorithm. Employing the symplectic integrators for MD algorithms, there is a conserved quantity which is close to Hamiltonian. Therefore, they can perform a MD simulation more stably than by conventional nonsymplectic algorithms. They applied this algorithm to a TIP3P pure water system at 300 K and compared the time evolution of the Hamiltonian with those by the nonsymplectic algorithms. They found that the Hamiltonian was conserved well by the symplectic algorithm even for a time step of 4 fs. This time step is longer than typical values of 0.5-2 fs which are used by the conventional nonsymplectic algorithms.

  4. Canonical forms for single-qutrit Clifford+T operators

    OpenAIRE

    Glaudell, Andrew N.; Ross, Neil J.; Taylor, Jacob M.

    2018-01-01

    We introduce canonical forms for single qutrit Clifford+T circuits and prove that every single-qutrit Clifford+T operator admits a unique such canonical form. We show that our canonical forms are T-optimal in the sense that among all the single-qutrit Clifford+T circuits implementing a given operator our canonical form uses the least number of T gates. Finally, we provide an algorithm which inputs the description of an operator (as a matrix or a circuit) and constructs the canonical form for ...

  5. Reliable prediction of adsorption isotherms via genetic algorithm molecular simulation.

    Science.gov (United States)

    LoftiKatooli, L; Shahsavand, A

    2017-01-01

    Conventional molecular simulation techniques such as grand canonical Monte Carlo (GCMC) strictly rely on purely random search inside the simulation box for predicting the adsorption isotherms. This blind search is usually extremely time demanding for providing a faithful approximation of the real isotherm and in some cases may lead to non-optimal solutions. A novel approach is presented in this article which does not use any of the classical steps of the standard GCMC method, such as displacement, insertation, and removal. The new approach is based on the well-known genetic algorithm to find the optimal configuration for adsorption of any adsorbate on a structured adsorbent under prevailing pressure and temperature. The proposed approach considers the molecular simulation problem as a global optimization challenge. A detailed flow chart of our so-called genetic algorithm molecular simulation (GAMS) method is presented, which is entirely different from traditions molecular simulation approaches. Three real case studies (for adsorption of CO 2 and H 2 over various zeolites) are borrowed from literature to clearly illustrate the superior performances of the proposed method over the standard GCMC technique. For the present method, the average absolute values of percentage errors are around 11% (RHO-H 2 ), 5% (CHA-CO 2 ), and 16% (BEA-CO 2 ), while they were about 70%, 15%, and 40% for the standard GCMC technique, respectively.

  6. Effect of particle fluctuation on isoscaling and isobaric yield ratio of nuclear multifragmentation

    International Nuclear Information System (INIS)

    Mallik, Swagata; Chaudhuri, Gargi

    2013-01-01

    Isoscaling and isobaric yield ratio parameters are compared from canonical and grand canonical ensembles when applied to multifragmentation of finite nuclei. Source dependence of isoscaling parameters and source and isospin dependence of isobaric yield ratio parameters are examined in the framework of the canonical and the grand canonical models. It is found that as the nucleus fragments more, results from both the ensembles converge and observables calculated from the canonical ensemble coincide more with those obtained from the formulae derived using the grand canonical ensemble

  7. On the coupling of statistic sum of canonical and large canonical ensemble of interacting particles

    International Nuclear Information System (INIS)

    Vall, A.N.

    2000-01-01

    Potentiality of refining the known result based on analytic properties of a great statistical sum, as a function of the absolute activity of the boundary integral contribution into statistical sum, is considered. A strict asymptotic ratio between statistical sums of canonical and large canonical ensemble of interacting particles was derived [ru

  8. The Literary Canon in the Age of New Media

    DEFF Research Database (Denmark)

    Backe, Hans-Joachim

    2015-01-01

    and mediality of the canon. In a development that has largely gone unnoticed outside German speaking countries, new approaches for discussing current and future processes of canonization have been developed in recent years. One pivotal element of this process has been a thorough re-evaluation new media......The article offers a comparative overview of the diverging courses of the canon debate in Anglophone and Germanophone contexts. While the Anglophone canon debate has focused on the politics of canon composition, the Germanophone canon debate has been more concerned with the malleability...

  9. Study of HKUST (Copper benzene-1,3,5-tricarboxylate, Cu-BTC MOF)-1 metal organic frameworks for CH4 adsorption: An experimental Investigation with GCMC (grand canonical Monte-carlo) simulation

    International Nuclear Information System (INIS)

    Sun, Baichuan; Kayal, Sibnath; Chakraborty, Anutosh

    2014-01-01

    We have measured the methane uptakes on HKUST (Copper benzene-1,3,5-tricarboxylate, Cu-BTC MOF)-1 MOF (metal organic framework) for the temperatures ranging from 120 K to 300 K and pressures up to 10 bar. The experimentally measured HKUST-1 + CH 4 isotherms data are compared with uptakes of various adsorbents and methane systems. We have also simulated the methane uptakes and its density distribution on HKUST-1 employing GCMC (grand canonical Monte-carlo) simulation and compare with experimental data. In this article, we also present an extensive study on characterization and property evaluation of HKUST-1 MOF for CH 4 adsorption characteristics employing XRD (X-ray diffraction), SEM (scanning electron microscope) and TGA (thermo gravimetric analysis). Employing GCMC and the thermodynamic property fields of HKUST-1 + CH 4 system, the isosteric heat of adsorption (Q st ) is calculated and Q st is presented in a T-s (temperature-entropy) diagram. - Highlights: • Characterization of HKUST-1 MOFs by XRD, SEM, N 2 adsorption and TGA. • Measurement of CH 4 uptakes on HKUST-1 by volumetric methods. • GCMC simulation of methane uptakes and its density distribution on HKUST-1. • Isosteric heat of adsorption in a T-s (temperature-entropy) diagram

  10. Molecular Simulation of the Phase Diagram of Methane Hydrate: Free Energy Calculations, Direct Coexistence Method, and Hyperparallel Tempering.

    Science.gov (United States)

    Jin, Dongliang; Coasne, Benoit

    2017-10-24

    Different molecular simulation strategies are used to assess the stability of methane hydrate under various temperature and pressure conditions. First, using two water molecular models, free energy calculations consisting of the Einstein molecule approach in combination with semigrand Monte Carlo simulations are used to determine the pressure-temperature phase diagram of methane hydrate. With these calculations, we also estimate the chemical potentials of water and methane and methane occupancy at coexistence. Second, we also consider two other advanced molecular simulation techniques that allow probing the phase diagram of methane hydrate: the direct coexistence method in the Grand Canonical ensemble and the hyperparallel tempering Monte Carlo method. These two direct techniques are found to provide stability conditions that are consistent with the pressure-temperature phase diagram obtained using rigorous free energy calculations. The phase diagram obtained in this work, which is found to be consistent with previous simulation studies, is close to its experimental counterpart provided the TIP4P/Ice model is used to describe the water molecule.

  11. An introduction to the theory of canonical matrices

    CERN Document Server

    Turnbull, H W

    2004-01-01

    Thorough and self-contained, this penetrating study of the theory of canonical matrices presents a detailed consideration of all the theory's principal features. Topics include elementary transformations and bilinear and quadratic forms; canonical reduction of equivalent matrices; subgroups of the group of equivalent transformations; and rational and classical canonical forms. The final chapters explore several methods of canonical reduction, including those of unitary and orthogonal transformations. 1952 edition. Index. Appendix. Historical notes. Bibliographies. 275 problems.

  12. Fan fiction, early Greece, and the historicity of canon

    Directory of Open Access Journals (Sweden)

    Ahuvia Kahane

    2016-03-01

    Full Text Available The historicity of canon is considered with an emphasis on contemporary fan fiction and early Greek oral epic traditions. The essay explores the idea of canon by highlighting historical variance, exposing wider conceptual isomorphisms, and formulating a revised notion of canonicity. Based on an analysis of canon in early Greece, the discussion moves away from the idea of canon as a set of valued works and toward canon as a practice of containment in response to inherent states of surplus. This view of canon is applied to the practice of fan fiction, reestablishing the idea of canonicity in fluid production environments within a revised, historically specific understanding in early oral traditions on the one hand and in digital cultures and fan fiction on the other. Several examples of early epigraphic Greek texts embedded in oral environments are analyzed and assessed in terms of their implications for an understanding of fan fiction and its modern contexts.

  13. Canonical cortical circuits: current evidence and theoretical implications

    Directory of Open Access Journals (Sweden)

    Capone F

    2016-04-01

    Full Text Available Fioravante Capone,1,2 Matteo Paolucci,1,2 Federica Assenza,1,2 Nicoletta Brunelli,1,2 Lorenzo Ricci,1,2 Lucia Florio,1,2 Vincenzo Di Lazzaro1,2 1Unit of Neurology, Neurophysiology, Neurobiology, Department of Medicine, Università Campus Bio-Medico di Roma, Rome, Italy; 2Fondazione Alberto Sordi – Research Institute for Aging, Rome, ItalyAbstract: Neurophysiological and neuroanatomical studies have found that the same basic structural and functional organization of neuronal circuits exists throughout the cortex. This kind of cortical organization, termed canonical circuit, has been functionally demonstrated primarily by studies involving visual striate cortex, and then, the concept has been extended to different cortical areas. In brief, the canonical circuit is composed of superficial pyramidal neurons of layers II/III receiving different inputs and deep pyramidal neurons of layer V that are responsible for cortex output. Superficial and deep pyramidal neurons are reciprocally connected, and inhibitory interneurons participate in modulating the activity of the circuit. The main intuition of this model is that the entire cortical network could be modeled as the repetition of relatively simple modules composed of relatively few types of excitatory and inhibitory, highly interconnected neurons. We will review the origin and the application of the canonical cortical circuit model in the six sections of this paper. The first section (The origins of the concept of canonical circuit: the cat visual cortex reviews the experiments performed in the cat visual cortex, from the origin of the concept of canonical circuit to the most recent developments in the modelization of cortex. The second (The canonical circuit in neocortex and third (Toward a canonical circuit in agranular cortex sections try to extend the concept of canonical circuit to other cortical areas, providing some significant examples of circuit functioning in different cytoarchitectonic

  14. The canon as text for a biblical theology

    Directory of Open Access Journals (Sweden)

    James A. Loader

    2005-10-01

    Full Text Available The novelty of the canonical approach is questioned and its fascination at least partly traced to the Reformation, as well as to the post-Reformation’s need for a clear and authoritative canon to perform the function previously performed by the church. This does not minimise the elusiveness and deeply contradictory positions both within the canon and triggered by it. On the one hand, the canon itself is a centripetal phenomenon and does play an important role in exegesis and theology. Even so, on the other hand, it not only contains many difficulties, but also causes various additional problems of a formal as well as a theological nature. The question is mooted whether the canonical approach alleviates or aggravates the dilemma. Since this approach has become a major factor in Christian theology, aspects of the Christian canon are used to gauge whether “canon” is an appropriate category for eliminating difficulties that arise by virtue of its own existence. Problematic uses and appropriations of several Old Testament canons are advanced, as well as evidence in the New Testament of a consciousness that the “old” has been surpassed(“Überbietungsbewußtsein”. It is maintained that at least the Childs version of the canonical approach fails to smooth out these and similar difficulties. As a method it can cater for the New Testament’s (superior role as the hermeneutical standard for evaluating the Old, but flounders on its inability to create the theological unity it claims can solve religious problems exposed by Old Testament historical criticism. It is concluded that canon as a category cannot be dispensed with, but is useful for the opposite of the purpose to which it is conventionally put: far from bringing about theological “unity” or producing a standard for “correct” exegesis, it requires different readings of different canons.

  15. A Canonical Approach to the Argument/Adjunct Distinction

    Directory of Open Access Journals (Sweden)

    Diana Forker

    2014-01-01

    Full Text Available This paper provides an account of the argument/adjunct distinction implementing the 'canonical approach'. I identify five criteria (obligatoriness, latency, co-occurrence restrictions, grammatical relations, and iterability and seven diagnostic tendencies that can be used to distinguish canonical arguments from canonical adjuncts. I then apply the criteria and tendencies to data from the Nakh-Daghestanian language Hinuq. Hinuq makes extensive use of spatial cases for marking adjunct-like and argument-like NPs. By means of the criteria and tendencies it is possible to distinguish spatial NPs that come close to canonical arguments from those that are canonical adjuncts, and to place the remaining NPs bearing spatial cases within the argument-adjunct continuum.

  16. Multi-dimensional virtual system introduced to enhance canonical sampling

    Science.gov (United States)

    Higo, Junichi; Kasahara, Kota; Nakamura, Haruki

    2017-10-01

    When an important process of a molecular system occurs via a combination of two or more rare events, which occur almost independently to one another, computational sampling for the important process is difficult. Here, to sample such a process effectively, we developed a new method, named the "multi-dimensional Virtual-system coupled Monte Carlo (multi-dimensional-VcMC)" method, where the system interacts with a virtual system expressed by two or more virtual coordinates. Each virtual coordinate controls sampling along a reaction coordinate. By setting multiple reaction coordinates to be related to the corresponding rare events, sampling of the important process can be enhanced. An advantage of multi-dimensional-VcMC is its simplicity: Namely, the conformation moves widely in the multi-dimensional reaction coordinate space without knowledge of canonical distribution functions of the system. To examine the effectiveness of the algorithm, we introduced a toy model where two molecules (receptor and its ligand) bind and unbind to each other. The receptor has a deep binding pocket, to which the ligand enters for binding. Furthermore, a gate is set at the entrance of the pocket, and the gate is usually closed. Thus, the molecular binding takes place via the two events: ligand approach to the pocket and gate opening. In two-dimensional (2D)-VcMC, the two molecules exhibited repeated binding and unbinding, and an equilibrated distribution was obtained as expected. A conventional canonical simulation, which was 200 times longer than 2D-VcMC, failed in sampling the binding/unbinding effectively. The current method is applicable to various biological systems.

  17. High molecular weight FGF2 isoforms demonstrate canonical receptor-mediated activity and support human embryonic stem cell self-renewal

    Directory of Open Access Journals (Sweden)

    Denis Kole

    2017-05-01

    Full Text Available Basic fibroblast growth factor (FGF2 is a highly pleiotropic member of a large family of growth factors with a broad range of activities, including mitogenesis and angiogenesis (Ornitz et al., 1996; Zhang et al., 2006, and it is known to be essential for maintenance of balance between survival, proliferation, and self-renewal in human pluripotent stem cells (Eiselleova et al., 2009; Zoumaro-Djayoon et al., 2011. A single FGF2 transcript can be translated into five FGF2 protein isoforms, an 18 kDa low molecular weight (LMW isoform and four larger high molecular weight (HMW isoforms (Arese et al., 1999; Arnaud et al., 1999. As they are not generally secreted, high molecular weight (HMW FGF2 isoforms have predominantly been investigated intracellularly; only a very limited number of studies have investigated their activity as extracellular factors. Here we report over-expression, isolation, and biological activity of all recombinant human FGF2 isoforms. We show that HMW FGF2 isoforms can support self-renewal of human embryonic stem cells (hESCs in vitro. Exogenous supplementation with HMW FGF2 isoforms also activates the canonical FGFR/MAPK pathway and induces mitogenic activity in a manner similar to that of the 18 kDa FGF2 isoform. Though all HMW isoforms, when supplemented exogenously, are able to recapitulate LMW FGF2 activity to some degree, it appears that certain isoforms tend to do so more poorly, demonstrating a lesser functional response by several measures. A better understanding of isoform-specific FGF2 effects will lead to a better understanding of developmental and pathological FGF2 signaling.

  18. The canonical way to make a heart: β-catenin and plakoglobin in heart development and remodeling.

    Science.gov (United States)

    Piven, Oksana O; Winata, Cecilia L

    2017-12-01

    The main mediator of the canonical Wnt pathway, β-catenin, is a major effector of embryonic development, postnatal tissue homeostasis, and adult tissue regeneration. The requirement for β-catenin in cardiogenesis and embryogenesis has been well established. However, many questions regarding the molecular mechanisms by which β-catenin and canonical Wnt signaling regulate these developmental processes remain unanswered. An interesting question that emerged from our studies concerns how β-catenin signaling is modulated through interaction with other factors. Recent experimental data implicate new players in canonical Wnt signaling, particularly those which modulate β-catenin function in many its biological processes, including cardiogenesis. One of the interesting candidates is plakoglobin, a little-studied member of the catenin family which shares several mechanistic and functional features with its close relative, β-catenin. Here we have focused on the function of β-catenin in cardiogenesis. We also summarize findings on plakoglobin signaling function and discuss possible interplays between β-catenin and plakoglobin in the regulation of embryonic heart development. Impact statement Heart development, function, and remodeling are complex processes orchestrated by multiple signaling networks. This review examines our current knowledge of the role of canonical Wnt signaling in cardiogenesis and heart remodeling, focusing primarily on the mechanistic action of its effector β-catenin. We summarize the generally accepted understanding of the field based on experimental in vitro and in vivo data, and address unresolved questions in the field, specifically relating to the role of canonical Wnt signaling in heart maturation and regeneration. What are the modulators of canonical Wnt, and particularly what are the potential roles of plakoglobin, a close relative of β-catenin, in regulating Wnt signaling?Answers to these questions will enhance our understanding of the

  19. A model of individualized canonical microcircuits supporting cognitive operations.

    Directory of Open Access Journals (Sweden)

    Tim Kunze

    Full Text Available Major cognitive functions such as language, memory, and decision-making are thought to rely on distributed networks of a large number of basic elements, called canonical microcircuits. In this theoretical study we propose a novel canonical microcircuit model and find that it supports two basic computational operations: a gating mechanism and working memory. By means of bifurcation analysis we systematically investigate the dynamical behavior of the canonical microcircuit with respect to parameters that govern the local network balance, that is, the relationship between excitation and inhibition, and key intrinsic feedback architectures of canonical microcircuits. We relate the local behavior of the canonical microcircuit to cognitive processing and demonstrate how a network of interacting canonical microcircuits enables the establishment of spatiotemporal sequences in the context of syntax parsing during sentence comprehension. This study provides a framework for using individualized canonical microcircuits for the construction of biologically realistic networks supporting cognitive operations.

  20. The Bargmann transform and canonical transformations

    International Nuclear Information System (INIS)

    Villegas-Blas, Carlos

    2002-01-01

    This paper concerns a relationship between the kernel of the Bargmann transform and the corresponding canonical transformation. We study this fact for a Bargmann transform introduced by Thomas and Wassell [J. Math. Phys. 36, 5480-5505 (1995)]--when the configuration space is the two-sphere S 2 and for a Bargmann transform that we introduce for the three-sphere S 3 . It is shown that the kernel of the Bargmann transform is a power series in a function which is a generating function of the corresponding canonical transformation (a classical analog of the Bargmann transform). We show in each case that our canonical transformation is a composition of two other canonical transformations involving the complex null quadric in C 3 or C 4 . We also describe quantizations of those two other canonical transformations by dealing with spaces of holomorphic functions on the aforementioned null quadrics. Some of these quantizations have been studied by Bargmann and Todorov [J. Math. Phys. 18, 1141-1148 (1977)] and the other quantizations are related to the work of Guillemin [Integ. Eq. Operator Theory 7, 145-205 (1984)]. Since suitable infinite linear combinations of powers of the generating functions are coherent states for L 2 (S 2 ) or L 2 (S 3 ), we show finally that the studied Bargmann transforms are actually coherent states transforms

  1. Canonical ensembles and nonzero density quantum chromodynamics

    International Nuclear Information System (INIS)

    Hasenfratz, A.; Toussaint, D.

    1992-01-01

    We study QCD with nonzero chemical potential on 4 4 lattices by averaging over the canonical partition functions, or sectors with fixed quark number. We derive a condensed matrix of size 2x3xL 3 whose eigenvalues can be used to find the canonical partition functions. We also experiment with a weight for configuration generation which respects the Z(3) symmetry which forces the canonical partition function to be zero for quark numbers that are not multiples of three. (orig.)

  2. Backlund transformations as canonical transformations

    International Nuclear Information System (INIS)

    Villani, A.; Zimerman, A.H.

    1977-01-01

    Toda and Wadati as well as Kodama and Wadati have shown that the Backlund transformations, for the exponential lattice equation, sine-Gordon equation, K-dV (Korteweg de Vries) equation and modifies K-dV equation, are canonical transformation. It is shown that the Backlund transformation for the Boussinesq equation, for a generalized K-dV equation, for a model equation for shallow water waves and for the nonlinear Schroedinger equation are also canonical transformations [pt

  3. El Escritor y las Normas del Canon Literario (The Writer and the Norms of the Literary Canon).

    Science.gov (United States)

    Policarpo, Alcibiades

    This paper speculates about whether a literary canon exists in contemporary Latin American literature, particularly in the prose genre. The paper points to Carlos Fuentes, Gabriel Garcia Marquez, and Mario Vargas Llosa as the three authors who might form this traditional and liberal canon with their works "La Muerte de Artemio Cruz"…

  4. Periodicity, the Canon and Sport

    Directory of Open Access Journals (Sweden)

    Thomas F. Scanlon

    2015-10-01

    Full Text Available The topic according to this title is admittedly a broad one, embracing two very general concepts of time and of the cultural valuation of artistic products. Both phenomena are, in the present view, largely constructed by their contemporary cultures, and given authority to a great extent from the prestige of the past. The antiquity of tradition brings with it a certain cachet. Even though there may be peripheral debates in any given society which question the specifics of periodization or canonicity, individuals generally accept the consensus designation of a sequence of historical periods and they accept a list of highly valued artistic works as canonical or authoritative. We will first examine some of the processes of periodization and of canon-formation, after which we will discuss some specific examples of how these processes have worked in the sport of two ancient cultures, namely Greece and Mesoamerica.

  5. Thermostating extended Lagrangian Born-Oppenheimer molecular dynamics.

    Science.gov (United States)

    Martínez, Enrique; Cawkwell, Marc J; Voter, Arthur F; Niklasson, Anders M N

    2015-04-21

    Extended Lagrangian Born-Oppenheimer molecular dynamics is developed and analyzed for applications in canonical (NVT) simulations. Three different approaches are considered: the Nosé and Andersen thermostats and Langevin dynamics. We have tested the temperature distribution under different conditions of self-consistent field (SCF) convergence and time step and compared the results to analytical predictions. We find that the simulations based on the extended Lagrangian Born-Oppenheimer framework provide accurate canonical distributions even under approximate SCF convergence, often requiring only a single diagonalization per time step, whereas regular Born-Oppenheimer formulations exhibit unphysical fluctuations unless a sufficiently high degree of convergence is reached at each time step. The thermostated extended Lagrangian framework thus offers an accurate approach to sample processes in the canonical ensemble at a fraction of the computational cost of regular Born-Oppenheimer molecular dynamics simulations.

  6. Constructing canonical bases of quantized enveloping algebras

    OpenAIRE

    Graaf, W.A. de

    2001-01-01

    An algorithm for computing the elements of a given weight of the canonical basis of a quantized enveloping algebra is described. Subsequently, a similar algorithm is presented for computing the canonical basis of a finite-dimensional module.

  7. Canonical and Non-Canonical NF-κB Signaling Promotes Breast Cancer Tumor-Initiating Cells

    Science.gov (United States)

    Kendellen, Megan F.; Bradford, Jennifer W.; Lawrence, Cortney L.; Clark, Kelly S.; Baldwin, Albert S.

    2014-01-01

    Tumor-initiating cells (TICs) are a sub-population of cells that exhibit a robust ability to self-renew and contribute to the formation of primary tumors, the relapse of previously treated tumors, and the development of metastases. TICs have been identified in various tumors, including those of the breast, and are particularly enriched in the basal-like and claudin-low subtypes of breast cancer. The signaling pathways that contribute to the function and maintenance of TICs are under intense study. We explored the potential involvement of the NF-κB family of transcription factors in TICs in cell lines that are representative of basal-like and claudin-low breast cancer. NF-κB was found to be activated in breast cancer cells that form tumorspheres efficiently. Moreover, both canonical and non-canonical NF-κB signaling is required for these cells to self-renew in vitro and to form xenograft tumors efficiently in vivo using limiting dilutions of cells. Consistent with this, canonical and non-canonical NF-κB signaling is activated in TICs isolated from breast cancer cell lines. Experimental results indicate that NF-κB promotes the function of TICs by stimulating epithelial-to-mesenchymal transition (EMT) and by upregulating the expression of the inflammatory cytokines IL-1β and IL-6. The results suggest the use of NF-κB inhibitors for clinical therapy of certain breast cancers. PMID:23474754

  8. Canonization in early twentieth-century Chinese art history’

    Directory of Open Access Journals (Sweden)

    Guo Hui

    2014-06-01

    Full Text Available Since the 1980s, the discussion of canons has been a dominant theme in the discipline of Western art history. Various concerns have emerged regarding ‘questions of artistic judgment’, ‘the history genesis of masterpieces’, ‘variations in taste’, ‘the social instruments of canonicity’, and ‘how canons disappear’. Western art historians have considered how the canon’s appearance in Western visual art embodies aesthetic, ideological, cultural, social, and symbolic values. In Chinese art history, the idea of a canon including masterpieces, important artists, and forms of art, dates back to the mid ninth century when Zhang Yanyuan wrote his painting history Record of Famous Painters of All the Dynasties. Faced with quite different political, economic, and social conditions amid the instability of the early twentieth century, Chinese scholars attempted to discover new canons for cultural orthodoxy and authority. Modern means for canonization, such as museums and exhibition displays, cultural and academic institutions, and massive art publications with image reproduction in good quality, brought the process up to an unprecedented speed. It is true that most of these means have comparable counterparts in pre-modern times. However, their enormous scope and overwhelming influence are far beyond the reach of their imperial counterparts. Through an inter-textual reading of the publications on Chinese art history in early twentieth-century China, this paper explores the transformation of canons in order to shed light on why and how canonical formation happened during the Republican period of China. Despite the diverse styles and strategies which Chinese writers used in their narratives, Chinese art historical books produced during the Republican period canonized and de-canonized artworks. In this paper, the discussion of these texts, with reference to other art historical works, comprises three parts: 1 canon formation of artistic forms

  9. The degeneracy problem in non-canonical inflation

    International Nuclear Information System (INIS)

    Easson, Damien A.; Powell, Brian A.

    2013-01-01

    While attempting to connect inflationary theories to observational physics, a potential difficulty is the degeneracy problem: a single set of observables maps to a range of different inflaton potentials. Two important classes of models affected by the degeneracy problem are canonical and non-canonical models, the latter marked by the presence of a non-standard kinetic term that generates observables beyond the scalar and tensor two-point functions on CMB scales. The degeneracy problem is manifest when these distinguishing observables go undetected. We quantify the size of the resulting degeneracy in this case by studying the most well-motivated non-canonical theory having Dirac-Born-Infeld Lagrangian. Beyond the scalar and tensor two-point functions on CMB scales, we then consider the possible detection of equilateral non-Gaussianity at Planck-precision and a measurement of primordial gravitational waves from prospective space-based laser interferometers. The former detection breaks the degeneracy with canonical inflation but results in poor reconstruction prospects, while the latter measurement enables a determination of n T which, while not breaking the degeneracy, can be shown to greatly improve the non-canonical reconstruction

  10. Spanish Literature and Spectrality : Notes on a Haunted Canon

    NARCIS (Netherlands)

    Valdivia, Pablo

    In Spanish Literature, Crisis and Spectrality: Notes on a Haunted Canon, Prof. Dr. Pablo Valdivia analyses the contradictions and complexities of the Spanish traditional canon from a transnational approach. Valdivia explores this particular canon as a 'haunted house' by focusing on the specific

  11. Generalized canonical correlation analysis with missing values

    NARCIS (Netherlands)

    M. van de Velden (Michel); Y. Takane

    2012-01-01

    textabstractGeneralized canonical correlation analysis is a versatile technique that allows the joint analysis of several sets of data matrices. The generalized canonical correlation analysis solution can be obtained through an eigenequation and distributional assumptions are not required. When

  12. Molecular dynamics coupled with a virtual system for effective conformational sampling.

    Science.gov (United States)

    Hayami, Tomonori; Kasahara, Kota; Nakamura, Haruki; Higo, Junichi

    2018-07-15

    An enhanced conformational sampling method is proposed: virtual-system coupled canonical molecular dynamics (VcMD). Although VcMD enhances sampling along a reaction coordinate, this method is free from estimation of a canonical distribution function along the reaction coordinate. This method introduces a virtual system that does not necessarily obey a physical law. To enhance sampling the virtual system couples with a molecular system to be studied. Resultant snapshots produce a canonical ensemble. This method was applied to a system consisting of two short peptides in an explicit solvent. Conventional molecular dynamics simulation, which is ten times longer than VcMD, was performed along with adaptive umbrella sampling. Free-energy landscapes computed from the three simulations mutually converged well. The VcMD provided quicker association/dissociation motions of peptides than the conventional molecular dynamics did. The VcMD method is applicable to various complicated systems because of its methodological simplicity. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

  13. Density-functional molecular-dynamics study of the redox reactions of two anionic, aqueous transition-metal complexes

    International Nuclear Information System (INIS)

    Tateyama, Yoshitaka; Blumberger, Jochen; Sprik, Michiel; Tavernelli, Ivano

    2005-01-01

    The thermochemistry of the RuO 4 2- +MnO 4 - →RuO 4 - +MnO 4 2- redox reaction in aqueous solution is studied by separate density-functional-based ab initio molecular-dynamics simulations of the component half reactions RuO 4 2- →RuO 4 - +e - and MnO 4 2- →MnO 4 - +e - . We compare the results of a recently developed grand-canonical method for the computation of oxidation free energies to the predictions by the energy-gap relations of the Marcus theory that can be assumed to apply to these reactions. The calculated redox potentials are in good agreement. The subtraction of the half-reaction free energies gives an estimate of the free energy of the full reaction. The result obtained from the grand-canonical method is -0.4 eV, while the application of the Marcus theory gives -0.3 eV. These should be compared to the experimental value of 0.0 eV. Size effects, in response to increasing the number of water molecules in the periodic model system from 30 to 48, are found to be small (≅0.1 eV). The link to the Marcus theory also has enabled us to compute reorganization free energies for oxidation. For both the MnO 4 2- and RuO 4 2- redox reactions we find the same reorganization free energy of 0.8 eV (1.0 eV in the larger system). The results for the free energies and further analysis of solvation and electronic structure confirm that these two tetrahedral oxoanions show very similar behavior in solution in spite of the central transition-metal atoms occupying a different row and column in the periodic table

  14. Canonical pseudotensors, Sparling's form and Noether currents

    International Nuclear Information System (INIS)

    Szabados, L.B.

    1991-09-01

    The canonical energy - momentum and spin pseudotensors of the Einstein theory are studied in two ways. First they are studied in the framework of Lagrangian formalism. It is shown, that for first order Lagrangian and rigid basis description the canonical energy - momentum, the canonical spin, and the Noether current are tensorial quantities, and the canonial energy - momentum and spin tensors satisfy the tensorial Belinfante-Rosenfeld equations. Then the differential geometric unification and reformulation of the previous different pseudotensorial approaches is given. Finally, for any vector field on the spacetime an (m-1) form, called the Noether form is defined. (K.A.) 34 refs

  15. Molecular simulation of methane adsorption characteristics on coal macromolecule

    Science.gov (United States)

    Yang, Zhiyuan; He, Xiaoxiao; Meng, Zhuoyue; Xue, Wenying

    2018-02-01

    In this paper, the molecular model of anthracite named Wender2 was selected to study the adsorption behaviour of single component CH4 and the competitive adsorption of CH4/CO2, CH4/H2O and CH4/N2. The molecular model of anthracite was established by molecular simulation software (Materials Studio 8.0), and Grand Canonical Monte Carlo (GCMC) simulations were carried out to investigate the single and binary component adsorption. The effects of pressure and temperature on the adsorption position, adsorption energy and adsorption capacity were mainly discussed. The results show that for the single component adsorption, the adsorption capacity of CH4 increases rapidly with the pressure ascending, and then tends to be stable after the first step. The low temperature is favourable for the adsorption of CH4, and the high temperature promotes desorption quantity of CH4 from the coal. Adsorbent molecules are preferentially adsorbed on the edge of coal macromolecules. The order of adsorption capacity of CH4/CO2, CH4/H2O and CH4/N2 in the binary component is H2O>CO2>CH4>N2. The change of pressure has little effect on the adsorption capacity of the adsorbent in the competitive adsorption, but it has a great influence on the adsorption capacity of the adsorbent, and there is a positive correlation between them.

  16. XEDAR activates the non-canonical NF-κB pathway

    International Nuclear Information System (INIS)

    Verhelst, Kelly; Gardam, Sandra; Borghi, Alice; Kreike, Marja; Carpentier, Isabelle; Beyaert, Rudi

    2015-01-01

    Members of the tumor necrosis factor receptor (TNFR) superfamily are involved in a number of physiological and pathological responses by activating a wide variety of intracellular signaling pathways. The X-linked ectodermal dysplasia receptor (XEDAR; also known as EDA2R or TNFRSF27) is a member of the TNFR superfamily that is highly expressed in ectodermal derivatives during embryonic development and binds to ectodysplasin-A2 (EDA-A2), a member of the TNF family that is encoded by the anhidrotic ectodermal dysplasia (EDA) gene. Although XEDAR was first described in the year 2000, its function and molecular mechanism of action is still largely unclear. XEDAR has been reported to activate canonical nuclear factor κB (NF-κB) signaling and mitogen-activated protein (MAP) kinases. Here we report that XEDAR is also able to trigger the non-canonical NF-κB pathway, characterized by the processing of p100 (NF-κB2) into p52, followed by nuclear translocation of p52 and RelB. We provide evidence that XEDAR-induced p100 processing relies on the binding of XEDAR to TRAF3 and TRAF6, and requires the kinase activity of NIK and IKKα. We also show that XEDAR stimulation results in NIK accumulation and that p100 processing is negatively regulated by TRAF3, cIAP1 and A20. - Highlights: • XEDAR activates the non-canonical NF-κB pathway. • XEDAR-induced processing of p100 depends on XEDAR interaction with TRAF3 and TRAF6. • XEDAR-induced processing of p100 depends on NIK and IKKα activity. • Overexpression of XEDAR leads to NIK accumulation. • XEDAR-induced processing of p100 is negatively regulated by TRAF3 cIAP1 and A20

  17. XEDAR activates the non-canonical NF-κB pathway

    Energy Technology Data Exchange (ETDEWEB)

    Verhelst, Kelly, E-mail: Kelly.Verhelst@irc.VIB-UGent.be [Inflammation Research Center, Unit of Molecular Signal Transduction in Inflammation, VIB, Ghent (Belgium); Department of Biomedical Molecular Biology, Ghent University, Ghent (Belgium); Gardam, Sandra, E-mail: s.gardam@garvan.org.au [Inflammation Research Center, Unit of Molecular Signal Transduction in Inflammation, VIB, Ghent (Belgium); Department of Biomedical Molecular Biology, Ghent University, Ghent (Belgium); Borghi, Alice, E-mail: Alice.Borghi@irc.VIB-UGent.be [Inflammation Research Center, Unit of Molecular Signal Transduction in Inflammation, VIB, Ghent (Belgium); Department of Biomedical Molecular Biology, Ghent University, Ghent (Belgium); Kreike, Marja, E-mail: Marja.Kreike@irc.VIB-UGent.be [Inflammation Research Center, Unit of Molecular Signal Transduction in Inflammation, VIB, Ghent (Belgium); Department of Biomedical Molecular Biology, Ghent University, Ghent (Belgium); Carpentier, Isabelle, E-mail: Isabelle.Carpentier@irc.VIB-UGent.be [Inflammation Research Center, Unit of Molecular Signal Transduction in Inflammation, VIB, Ghent (Belgium); Department of Biomedical Molecular Biology, Ghent University, Ghent (Belgium); Beyaert, Rudi, E-mail: Rudi.Beyaert@irc.VIB-UGent.be [Inflammation Research Center, Unit of Molecular Signal Transduction in Inflammation, VIB, Ghent (Belgium); Department of Biomedical Molecular Biology, Ghent University, Ghent (Belgium)

    2015-09-18

    Members of the tumor necrosis factor receptor (TNFR) superfamily are involved in a number of physiological and pathological responses by activating a wide variety of intracellular signaling pathways. The X-linked ectodermal dysplasia receptor (XEDAR; also known as EDA2R or TNFRSF27) is a member of the TNFR superfamily that is highly expressed in ectodermal derivatives during embryonic development and binds to ectodysplasin-A2 (EDA-A2), a member of the TNF family that is encoded by the anhidrotic ectodermal dysplasia (EDA) gene. Although XEDAR was first described in the year 2000, its function and molecular mechanism of action is still largely unclear. XEDAR has been reported to activate canonical nuclear factor κB (NF-κB) signaling and mitogen-activated protein (MAP) kinases. Here we report that XEDAR is also able to trigger the non-canonical NF-κB pathway, characterized by the processing of p100 (NF-κB2) into p52, followed by nuclear translocation of p52 and RelB. We provide evidence that XEDAR-induced p100 processing relies on the binding of XEDAR to TRAF3 and TRAF6, and requires the kinase activity of NIK and IKKα. We also show that XEDAR stimulation results in NIK accumulation and that p100 processing is negatively regulated by TRAF3, cIAP1 and A20. - Highlights: • XEDAR activates the non-canonical NF-κB pathway. • XEDAR-induced processing of p100 depends on XEDAR interaction with TRAF3 and TRAF6. • XEDAR-induced processing of p100 depends on NIK and IKKα activity. • Overexpression of XEDAR leads to NIK accumulation. • XEDAR-induced processing of p100 is negatively regulated by TRAF3 cIAP1 and A20.

  18. Canonical symmetry of a constrained Hamiltonian system and canonical Ward identity

    International Nuclear Information System (INIS)

    Li, Zi-ping

    1995-01-01

    An algorithm for the construction of the generators of the gauge transformation of a constrained Hamiltonian system is given. The relationships among the coefficients connecting the first constraints in the generator are made clear. Starting from the phase space generating function of the Green function, the Ward identity in canonical formalism is deduced. We point out that the quantum equations of motion in canonical form for a system with singular Lagrangian differ from the classical ones whether Dirac's conjecture holds true or not. Applications of the present formulation to the Abelian and non-Abelian gauge theories are given. The expressions for PCAC and generalized PCAC of the AVV vertex are derived exactly from another point of view. A new form of the Ward identity for gauge-ghost proper vertices is obtained which differs from the usual Ward-Takahashi identity arising from the BRS invariance

  19. Canonical transformations in problems of quantum statistical mechanics

    International Nuclear Information System (INIS)

    Sankovich, D.P.

    1985-01-01

    The problem of general canonical transformations in quantum systems possessing a classical analog is considered. The main role plays the Weyl representation of dynamic variables of the quantum system considered. One managed to build a general diagram of canonical transformations in a quantum case and to develop a method for reducing one or another operator to the simplest canonical form. In this case the procedure, being analogous to the Poincare-Birkhof normalization based on the Lie series theory, occurs

  20. The Resurrection of Jesus: do extra-canonical sources change the landscape?

    Directory of Open Access Journals (Sweden)

    F P Viljoen

    2005-10-01

    Full Text Available The resurrection of Jesus is assumed by the New Testament to be a historical event. Some scholars argue, however, that there was no empty tomb, but that the New Testament accounts are midrashic or mythological stories about Jesus.� In this article extra-canonical writings are investigated to find out what light it may throw on intra-canonical tradition. Many extra-canonical texts seemingly have no knowledge of the passion and resurrection, and such traditions may be earlier than the intra-canonical traditions. Was the resurrection a later invention?� Are intra-canonical texts developments of extra-canonical tradition, or vice versa?� This article demonstrates that extra-canonical texts do not materially alter the landscape of enquiry.

  1. Binding of canonical Wnt ligands to their receptor complexes occurs in ordered plasma membrane environments.

    Science.gov (United States)

    Sezgin, Erdinc; Azbazdar, Yagmur; Ng, Xue W; Teh, Cathleen; Simons, Kai; Weidinger, Gilbert; Wohland, Thorsten; Eggeling, Christian; Ozhan, Gunes

    2017-08-01

    While the cytosolic events of Wnt/β-catenin signaling (canonical Wnt signaling) pathway have been widely studied, only little is known about the molecular mechanisms involved in Wnt binding to its receptors at the plasma membrane. Here, we reveal the influence of the immediate plasma membrane environment on the canonical Wnt-receptor interaction. While the receptors are distributed both in ordered and disordered environments, Wnt binding to its receptors selectively occurs in more ordered membrane environments which appear to cointernalize with the Wnt-receptor complex. Moreover, Wnt/β-catenin signaling is significantly reduced when the membrane order is disturbed by specific inhibitors of certain lipids that prefer to localize at the ordered environments. Similarly, a reduction in Wnt signaling activity is observed in Niemann-Pick Type C disease cells where trafficking of ordered membrane lipid components to the plasma membrane is genetically impaired. We thus conclude that ordered plasma membrane environments are essential for binding of canonical Wnts to their receptor complexes and downstream signaling activity. © 2017 The Authors. The FEBS Journal published by John Wiley & Sons Ltd on behalf of Federation of European Biochemical Societies.

  2. Notes on Mayer expansions and matrix models

    International Nuclear Information System (INIS)

    Bourgine, Jean-Emile

    2014-01-01

    Mayer cluster expansion is an important tool in statistical physics to evaluate grand canonical partition functions. It has recently been applied to the Nekrasov instanton partition function of N=2 4d gauge theories. The associated canonical model involves coupled integrations that take the form of a generalized matrix model. It can be studied with the standard techniques of matrix models, in particular collective field theory and loop equations. In the first part of these notes, we explain how the results of collective field theory can be derived from the cluster expansion. The equalities between free energies at first orders is explained by the discrete Laplace transform relating canonical and grand canonical models. In a second part, we study the canonical loop equations and associate them with similar relations on the grand canonical side. It leads to relate the multi-point densities, fundamental objects of the matrix model, to the generating functions of multi-rooted clusters. Finally, a method is proposed to derive loop equations directly on the grand canonical model

  3. Modern Canonical Quantum General Relativity

    Science.gov (United States)

    Thiemann, Thomas

    2008-11-01

    Preface; Notation and conventions; Introduction; Part I. Classical Foundations, Interpretation and the Canonical Quantisation Programme: 1. Classical Hamiltonian formulation of general relativity; 2. The problem of time, locality and the interpretation of quantum mechanics; 3. The programme of canonical quantisation; 4. The new canonical variables of Ashtekar for general relativity; Part II. Foundations of Modern Canonical Quantum General Relativity: 5. Introduction; 6. Step I: the holonomy-flux algebra [P]; 7. Step II: quantum-algebra; 8. Step III: representation theory of [A]; 9. Step IV: 1. Implementation and solution of the kinematical constraints; 10. Step V: 2. Implementation and solution of the Hamiltonian constraint; 11. Step VI: semiclassical analysis; Part III. Physical Applications: 12. Extension to standard matter; 13. Kinematical geometrical operators; 14. Spin foam models; 15. Quantum black hole physics; 16. Applications to particle physics and quantum cosmology; 17. Loop quantum gravity phenomenology; Part IV. Mathematical Tools and their Connection to Physics: 18. Tools from general topology; 19. Differential, Riemannian, symplectic and complex geometry; 20. Semianalytical category; 21. Elements of fibre bundle theory; 22. Holonomies on non-trivial fibre bundles; 23. Geometric quantisation; 24. The Dirac algorithm for field theories with constraints; 25. Tools from measure theory; 26. Elementary introduction to Gel'fand theory for Abelean C* algebras; 27. Bohr compactification of the real line; 28. Operatir -algebras and spectral theorem; 29. Refined algebraic quantisation (RAQ) and direct integral decomposition (DID); 30. Basics of harmonic analysis on compact Lie groups; 31. Spin network functions for SU(2); 32. + Functional analytical description of classical connection dynamics; Bibliography; Index.

  4. Contextuality in canonical systems of random variables

    Science.gov (United States)

    Dzhafarov, Ehtibar N.; Cervantes, Víctor H.; Kujala, Janne V.

    2017-10-01

    Random variables representing measurements, broadly understood to include any responses to any inputs, form a system in which each of them is uniquely identified by its content (that which it measures) and its context (the conditions under which it is recorded). Two random variables are jointly distributed if and only if they share a context. In a canonical representation of a system, all random variables are binary, and every content-sharing pair of random variables has a unique maximal coupling (the joint distribution imposed on them so that they coincide with maximal possible probability). The system is contextual if these maximal couplings are incompatible with the joint distributions of the context-sharing random variables. We propose to represent any system of measurements in a canonical form and to consider the system contextual if and only if its canonical representation is contextual. As an illustration, we establish a criterion for contextuality of the canonical system consisting of all dichotomizations of a single pair of content-sharing categorical random variables. This article is part of the themed issue `Second quantum revolution: foundational questions'.

  5. THE TOPOLOGY OF CANONICAL FLUX TUBES IN FLARED JET GEOMETRY

    Energy Technology Data Exchange (ETDEWEB)

    Lavine, Eric Sander; You, Setthivoine, E-mail: Slavine2@uw.edu, E-mail: syou@aa.washington.edu [University of Washington, 4000 15th Street, NE Aeronautics and Astronautics 211 Guggenheim Hall, Box 352400, Seattle, WA 98195 (United States)

    2017-01-20

    Magnetized plasma jets are generally modeled as magnetic flux tubes filled with flowing plasma governed by magnetohydrodynamics (MHD). We outline here a more fundamental approach based on flux tubes of canonical vorticity, where canonical vorticity is defined as the circulation of the species’ canonical momentum. This approach extends the concept of magnetic flux tube evolution to include the effects of finite particle momentum and enables visualization of the topology of plasma jets in regimes beyond MHD. A flared, current-carrying magnetic flux tube in an ion-electron plasma with finite ion momentum is thus equivalent to either a pair of electron and ion flow flux tubes, a pair of electron and ion canonical momentum flux tubes, or a pair of electron and ion canonical vorticity flux tubes. We examine the morphology of all these flux tubes for increasing electrical currents, different radial current profiles, different electron Mach numbers, and a fixed, flared, axisymmetric magnetic geometry. Calculations of gauge-invariant relative canonical helicities track the evolution of magnetic, cross, and kinetic helicities in the system, and show that ion flow fields can unwind to compensate for an increasing magnetic twist. The results demonstrate that including a species’ finite momentum can result in a very long collimated canonical vorticity flux tube even if the magnetic flux tube is flared. With finite momentum, particle density gradients must be normal to canonical vorticities, not to magnetic fields, so observations of collimated astrophysical jets could be images of canonical vorticity flux tubes instead of magnetic flux tubes.

  6. Non-canonical autophagy: an exception or an underestimated form of autophagy?

    Science.gov (United States)

    Scarlatti, Francesca; Maffei, Roberta; Beau, Isabelle; Ghidoni, Riccardo; Codogno, Patrice

    2008-11-01

    Macroautophagy (hereafter called autophagy) is a dynamic and evolutionarily conserved process used to sequester and degrade cytoplasm and entire organelles in a sequestering vesicle with a double membrane, known as the autophagosome, which ultimately fuses with a lysosome to degrade its autophagic cargo. Recently, we have unraveled two distinct forms of autophagy in cancer cells, which we term canonical and non-canonical autophagy. In contrast to classical or canonical autophagy, non-canonical autophagy is a process that does not require the entire set of autophagy-related (Atg) proteins in particular Beclin 1, to form the autophagosome. Non-canonical autophagy is therefore not blocked by the knockdown of Beclin 1 or of its binding partner hVps34. Moreover overexpression of Bcl-2, which is known to block canonical starvation-induced autophagy by binding to Beclin 1, is unable to reverse the non-canonical autophagy triggered by the polyphenol resveratrol in the breast cancer MCF-7 cell line. In MCF-7 cells, at least, non-canonical autophagy is involved in the caspase-independent cell death induced by resveratrol.

  7. Semiotic Analysis of Canon Camera Advertisements

    OpenAIRE

    INDRAWATI, SUSAN

    2015-01-01

    Keywords: Semiotic Analysis, Canon Camera, Advertisement. Advertisement is a medium to deliver message to people with the goal to influence the to use certain products. Semiotics is applied to develop a correlation within element used in an advertisement. In this study, the writer chose the Semiotic analysis of canon camera advertisement as the subject to be analyzed using semiotic study based on Peirce's theory. Semiotic approach is employed in interpreting the sign, symbol, icon, and index ...

  8. The Current Canon in British Romantics Studies.

    Science.gov (United States)

    Linkin, Harriet Kramer

    1991-01-01

    Describes and reports on a survey of 164 U.S. universities to ascertain what is taught as the current canon of British Romantic literature. Asserts that the canon may now include Mary Shelley with the former standard six major male Romantic poets, indicating a significant emergence of a feminist perspective on British Romanticism in the classroom.…

  9. Moving Targets: Constructing Canons, 2013–2014

    OpenAIRE

    Hirsch, BD

    2015-01-01

    This review essay considers early modern dramatic authorship and canons in the context of two recent publications: an anthology of plays -- William Shakespeare and Others: Collaborative Plays (2013), edited by Jonathan Bate and Eric Rasmussen as a companion volume to the RSC Complete Works -- and a monograph study -- Jeremy Lopez's Constructing the Canon of Early Modern Drama (2014).

  10. Cross-regulation of signaling pathways: An example of nuclear hormone receptors and the canonical Wnt pathway

    Energy Technology Data Exchange (ETDEWEB)

    Beildeck, Marcy E. [Lombardi Comprehensive Cancer Center, Georgetown University, 3970 Reservoir Road, NW, Washington, DC 20057 (United States); Gelmann, Edward P. [Columbia University, Department of Medicine, New York, NY (United States); Byers, Stephen W., E-mail: byerss@georgetown.edu [Lombardi Comprehensive Cancer Center, Georgetown University, 3970 Reservoir Road, NW, Washington, DC 20057 (United States)

    2010-07-01

    Predicting the potential physiological outcome(s) of any given molecular pathway is complex because of cross-talk with other pathways. This is particularly evident in the case of the nuclear hormone receptor and canonical Wnt pathways, which regulate cell growth and proliferation, differentiation, apoptosis, and metastatic potential in numerous tissues. These pathways are known to intersect at many levels: in the intracellular space, at the membrane, in the cytoplasm, and within the nucleus. The outcomes of these interactions are important in the control of stem cell differentiation and maintenance, feedback loops, and regulating oncogenic potential. The aim of this review is to demonstrate the importance of considering pathway cross-talk when predicting functional outcomes of signaling, using nuclear hormone receptor/canonical Wnt pathway cross-talk as an example.

  11. Cross-regulation of signaling pathways: An example of nuclear hormone receptors and the canonical Wnt pathway

    International Nuclear Information System (INIS)

    Beildeck, Marcy E.; Gelmann, Edward P.; Byers, Stephen W.

    2010-01-01

    Predicting the potential physiological outcome(s) of any given molecular pathway is complex because of cross-talk with other pathways. This is particularly evident in the case of the nuclear hormone receptor and canonical Wnt pathways, which regulate cell growth and proliferation, differentiation, apoptosis, and metastatic potential in numerous tissues. These pathways are known to intersect at many levels: in the intracellular space, at the membrane, in the cytoplasm, and within the nucleus. The outcomes of these interactions are important in the control of stem cell differentiation and maintenance, feedback loops, and regulating oncogenic potential. The aim of this review is to demonstrate the importance of considering pathway cross-talk when predicting functional outcomes of signaling, using nuclear hormone receptor/canonical Wnt pathway cross-talk as an example.

  12. Multicollinearity in canonical correlation analysis in maize.

    Science.gov (United States)

    Alves, B M; Cargnelutti Filho, A; Burin, C

    2017-03-30

    The objective of this study was to evaluate the effects of multicollinearity under two methods of canonical correlation analysis (with and without elimination of variables) in maize (Zea mays L.) crop. Seventy-six maize genotypes were evaluated in three experiments, conducted in a randomized block design with three replications, during the 2009/2010 crop season. Eleven agronomic variables (number of days from sowing until female flowering, number of days from sowing until male flowering, plant height, ear insertion height, ear placement, number of plants, number of ears, ear index, ear weight, grain yield, and one thousand grain weight), 12 protein-nutritional variables (crude protein, lysine, methionine, cysteine, threonine, tryptophan, valine, isoleucine, leucine, phenylalanine, histidine, and arginine), and 6 energetic-nutritional variables (apparent metabolizable energy, apparent metabolizable energy corrected for nitrogen, ether extract, crude fiber, starch, and amylose) were measured. A phenotypic correlation matrix was first generated among the 29 variables for each of the experiments. A multicollinearity diagnosis was later performed within each group of variables using methodologies such as variance inflation factor and condition number. Canonical correlation analysis was then performed, with and without the elimination of variables, among groups of agronomic and protein-nutritional, and agronomic and energetic-nutritional variables. The canonical correlation analysis in the presence of multicollinearity (without elimination of variables) overestimates the variability of canonical coefficients. The elimination of variables is an efficient method to circumvent multicollinearity in canonical correlation analysis.

  13. The canonical ensemble redefined - 1: Formalism

    International Nuclear Information System (INIS)

    Venkataraman, R.

    1984-12-01

    For studying the thermodynamic properties of systems we propose an ensemble that lies in between the familiar canonical and microcanonical ensembles. We point out the transition from the canonical to microcanonical ensemble and prove from a comparative study that all these ensembles do not yield the same results even in the thermodynamic limit. An investigation of the coupling between two or more systems with these ensembles suggests that the state of thermodynamical equilibrium is a special case of statistical equilibrium. (author)

  14. CANONICAL CORRELATION OF MORPHOLOGIC CHARACTERISTIC AND MOTORIC ABILITIES OF YOUNG JUDO ATHLETES

    Directory of Open Access Journals (Sweden)

    Lulzim Ibri

    2013-07-01

    Full Text Available In sample from 80 young judo athletes aged from 16-17 year, was applied the system a total of 18 variables, of which 10 are morphologic characteristic and 8 motoric abilities variables, with a purpose to determinate mutual report between each other, while the information were analyzed by using canonical correlation analysis. With case of authentication statistically important relation was achieve one pair of canonical correlations statistically important. In morphologic variables field the canonical factor is interpreted in first canonical structure is the consists of variables: adipose tissue under skin of stomach (ATST, adipose tissue under skin of triceps (ATTR, adipose tissue under skin of biceps (ATBI, adipose tissue under skin of sub scapulars (ATSS, adipose tissue under skin of sub iliac a (ATSI and adipose tissue under skin of list (ATSL, so that is interpreted as a canonical factor of adipose tissue: And second structure of canonical factors of anthropometric characteristics is the consists of variables: body length: body length (LEBO, length of the leg (LELE and length of the arm (LEAR, so that is interpreted as a canonical factor of longitudinal dimensionality. The first structure of canonical factors in motoric variables is can not be interpreted because of low values of motor variables, while second structure of canonical factors of motoric abilities is the consists of variables: squeeze palm (SQPA, so that is interpreted as a canonical factor of strong factor in palm. Based on structure analysis of matrix results of canonical factors results were shown that to young judo athletes of this age exist statistically valid correlations between canonical factor of anthropometric variables and canonical factor of variables to motoric abilities which is (Rc=77 that is statistically valid in level (P=00.

  15. Interrelations between different canonical descriptions of dissipative systems

    International Nuclear Information System (INIS)

    Schuch, D; Guerrero, J; López-Ruiz, F F; Aldaya, V

    2015-01-01

    There are many approaches for the description of dissipative systems coupled to some kind of environment. This environment can be described in different ways; only effective models are being considered here. In the Bateman model, the environment is represented by one additional degree of freedom and the corresponding momentum. In two other canonical approaches, no environmental degree of freedom appears explicitly, but the canonical variables are connected with the physical ones via non-canonical transformations. The link between the Bateman approach and those without additional variables is achieved via comparison with a canonical approach using expanding coordinates, as, in this case, both Hamiltonians are constants of motion. This leads to constraints that allow for the elimination of the additional degree of freedom in the Bateman approach. These constraints are not unique. Several choices are studied explicitly, and the consequences for the physical interpretation of the additional variable in the Bateman model are discussed. (paper)

  16. Interrelations between different canonical descriptions of dissipative systems

    Science.gov (United States)

    Schuch, D.; Guerrero, J.; López-Ruiz, F. F.; Aldaya, V.

    2015-04-01

    There are many approaches for the description of dissipative systems coupled to some kind of environment. This environment can be described in different ways; only effective models are being considered here. In the Bateman model, the environment is represented by one additional degree of freedom and the corresponding momentum. In two other canonical approaches, no environmental degree of freedom appears explicitly, but the canonical variables are connected with the physical ones via non-canonical transformations. The link between the Bateman approach and those without additional variables is achieved via comparison with a canonical approach using expanding coordinates, as, in this case, both Hamiltonians are constants of motion. This leads to constraints that allow for the elimination of the additional degree of freedom in the Bateman approach. These constraints are not unique. Several choices are studied explicitly, and the consequences for the physical interpretation of the additional variable in the Bateman model are discussed.

  17. Canonic FFT flow graphs for real-valued even/odd symmetric inputs

    Science.gov (United States)

    Lao, Yingjie; Parhi, Keshab K.

    2017-12-01

    Canonic real-valued fast Fourier transform (RFFT) has been proposed to reduce the arithmetic complexity by eliminating redundancies. In a canonic N-point RFFT, the number of signal values at each stage is canonic with respect to the number of signal values, i.e., N. The major advantage of the canonic RFFTs is that these require the least number of butterfly operations and only real datapaths when mapped to architectures. In this paper, we consider the FFT computation whose inputs are not only real but also even/odd symmetric, which indeed lead to the well-known discrete cosine and sine transforms (DCTs and DSTs). Novel algorithms for generating the flow graphs of canonic RFFTs with even/odd symmetric inputs are proposed. It is shown that the proposed algorithms lead to canonic structures with N/2 +1 signal values at each stage for an N-point real even symmetric FFT (REFFT) or N/2 -1 signal values at each stage for an N-point RFFT real odd symmetric FFT (ROFFT). In order to remove butterfly operations, several twiddle factor transformations are proposed in this paper. We also discuss the design of canonic REFFT for any composite length. Performances of the canonic REFFT/ROFFT are also discussed. It is shown that the flow graph of canonic REFFT/ROFFT has less number of interconnections, less butterfly operations, and less twiddle factor operations, compared to prior works.

  18. Dictionary-Based Tensor Canonical Polyadic Decomposition

    Science.gov (United States)

    Cohen, Jeremy Emile; Gillis, Nicolas

    2018-04-01

    To ensure interpretability of extracted sources in tensor decomposition, we introduce in this paper a dictionary-based tensor canonical polyadic decomposition which enforces one factor to belong exactly to a known dictionary. A new formulation of sparse coding is proposed which enables high dimensional tensors dictionary-based canonical polyadic decomposition. The benefits of using a dictionary in tensor decomposition models are explored both in terms of parameter identifiability and estimation accuracy. Performances of the proposed algorithms are evaluated on the decomposition of simulated data and the unmixing of hyperspectral images.

  19. Covariant canonical quantization of fields and Bohmian mechanics

    International Nuclear Information System (INIS)

    Nikolic, H.

    2005-01-01

    We propose a manifestly covariant canonical method of field quantization based on the classical De Donder-Weyl covariant canonical formulation of field theory. Owing to covariance, the space and time arguments of fields are treated on an equal footing. To achieve both covariance and consistency with standard non-covariant canonical quantization of fields in Minkowski spacetime, it is necessary to adopt a covariant Bohmian formulation of quantum field theory. A preferred foliation of spacetime emerges dynamically owing to a purely quantum effect. The application to a simple time-reparametrization invariant system and quantum gravity is discussed and compared with the conventional non-covariant Wheeler-DeWitt approach. (orig.)

  20. Canonical formalism for relativistic dynamics

    International Nuclear Information System (INIS)

    Penafiel-Nava, V.M.

    1982-01-01

    The possibility of a canonical formalism appropriate for a dynamical theory of isolated relativistic multiparticle systems involving scalar interactions is studied. It is shown that a single time-parameter structure satisfying the requirements of Poincare invariance and simultaneity of the constituents (global tranversality) can not be derived from a homogeneous Lagrangian. The dynamics is deduced initially from a non-homogeneous but singular Lagrangian designed to accommodate the global tranversality constraints with the equaltime plane associated to the total momentum of the system. An equivalent standard Lagrangian is used to generalize the parametrization procedure which is referred to an arbitrary geodesic in Minkowski space. The equations of motion and the definition of center of momentum are invariant with respect to the choice of geodesic and the entire formalism becomes separable. In the original 8N-dimensional phase-space, the symmetries of the Lagrangian give rise to a canonical realization of a fifteen-generator Lie algebra which is projected in the 6N dimensional hypersurface of dynamical motions. The time-component of the total momentum is thus reduced to a neutral element and the canonical Hamiltonian survives as the only generator for time-translations so that the no-interaction theorem becomes inapplicable

  1. LCPT: a program for finding linear canonical transformations

    International Nuclear Information System (INIS)

    Char, B.W.; McNamara, B.

    1979-01-01

    This article describes a MACSYMA program to compute symbolically a canonical linear transformation between coordinate systems. The difficulties in implementation of this canonical small physics problem are also discussed, along with the implications that may be drawn from such difficulties about widespread MACSYMA usage by the community of computational/theoretical physicists

  2. Molecular confirmation of ovine herpesvirus 2-induced malignant catarrhal fever lesions in cattle from Rio Grande do Norte, Brazil

    Directory of Open Access Journals (Sweden)

    Selwyn A. Headley

    2012-12-01

    Full Text Available Molecular findings that confirmed the participation of ovine herpesvirus 2 (OVH-2 in the lesions that were consistent with those observed in malignant catarrhal fever of cattle are described. Three mixed-breed cattle from Rio Grande do Norte state demonstrated clinical manifestations that included mucopurulent nasal discharge, corneal opacity and motor incoordination. Routine necropsy examination demonstrated ulcerations and hemorrhage of the oral cavity, corneal opacity, and lymph node enlargement. Significant histopathological findings included widespread necrotizing vasculitis, non-suppurative meningoencephalitis, lymphocytic interstitial nephritis and hepatitis, and thrombosis. PCR assay performed on DNA extracted from kidney and mesenteric lymph node of one animal amplified a product of 423 base pairs corresponding to a target sequence within the ovine herpesvirus 2 (OVH-2 tegument protein gene. Direct sequencing of the PCR products, from extracted DNA of the kidney and mesenteric lymph node of one cow, amplified the partial nucleotide sequences (423 base pairs of OVH-2 tegument protein gene. Blast analysis confirmed that these sequences have 98-100% identity with similar OVH-2 sequences deposited in GenBank. Phylogenetic analyses, based on the deduced amino acid sequences, demonstrated that the strain of OVH-2 circulating in ruminants from the Brazilian states of Rio Grande do Norte and Minas Gerais are similar to that identified in other geographical locations. These findings confirmed the active participation of OVH-2 in the classical manifestations of sheep associated malignant catarrhal fever.

  3. Canonical and non-canonical barriers facing antimiR cancer therapeutics.

    Science.gov (United States)

    Cheng, Christopher J; Saltzman, W Mark; Slack, Frank J

    2013-01-01

    Once considered genetic "oddities", microRNAs (miRNAs) are now recognized as key epigenetic regulators of numerous biological processes, including some with a causal link to the pathogenesis, maintenance, and treatment of cancer. The crux of small RNA-based therapeutics lies in the antagonism of potent cellular targets; the main shortcoming of the field in general, lies in ineffective delivery. Inhibition of oncogenic miRNAs is a relatively nascent therapeutic concept, but as with predecessor RNA-based therapies, success hinges on delivery efficacy. This review will describes the canonical (e.g. pharmacokinetics and clearance, cellular uptake, endosome escape, etc.) and non-canonical (e.g. spatial localization and accessibility of miRNA, technical limitations of miRNA inhibition, off-target impacts, etc.) challenges to the delivery of antisense-based anti-miRNA therapeutics (i.e. antimiRs) for the treatment of cancer. Emphasis will be placed on how the current leading antimiR platforms-ranging from naked chemically modified oligonucleotides to nanoscale delivery vehicles-are affected by and overcome these barriers. The perplexity of antimiR delivery presents both engineering and biological hurdles that must be overcome in order to capitalize on the extensive pharmacological benefits of antagonizing tumor-associated miRNAs.

  4. Escort entropies and divergences and related canonical distribution

    International Nuclear Information System (INIS)

    Bercher, J.-F.

    2011-01-01

    We discuss two families of two-parameter entropies and divergences, derived from the standard Renyi and Tsallis entropies and divergences. These divergences and entropies are found as divergences or entropies of escort distributions. Exploiting the nonnegativity of the divergences, we derive the expression of the canonical distribution associated to the new entropies and a observable given as an escort-mean value. We show that this canonical distribution extends, and smoothly connects, the results obtained in nonextensive thermodynamics for the standard and generalized mean value constraints. -- Highlights: → Two-parameter entropies are derived from q-entropies and escort distributions. → The related canonical distribution is derived. → This connects and extends known results in nonextensive statistics.

  5. Canonical quantization of gravity and a problem of scattering

    International Nuclear Information System (INIS)

    Rubakov, V.A.

    1980-01-01

    Linearized theory of gravity is quantized both in a naive way and as a proper limit of the Dirac-Wheeler-De Witt approach to the quantization of the full theory. The equivalence between the two approaches is established. The problem of scattering in the canonically quantized theory of gravitation is investigated. The concept of the background metric naturally appears in the canonical formalism for this case. The equivalence between canonical and path-integral approaches is established for the problem of scattering. Some kinetical properties of functionals in Wheeler superspace are studied in an appendix. (author)

  6. Canonical correlations between chemical and energetic characteristics of lignocellulosic wastes

    Directory of Open Access Journals (Sweden)

    Thiago de Paula Protásio

    2012-09-01

    Full Text Available Canonical correlation analysis is a statistical multivariate procedure that allows analyzing linear correlation that may exist between two groups or sets of variables (X and Y. This paper aimed to provide canonical correlation analysis between a group comprised of lignin and total extractives contents and higher heating value (HHV with a group of elemental components (carbon, hydrogen, nitrogen and sulfur for lignocellulosic wastes. The following wastes were used: eucalyptus shavings; pine shavings; red cedar shavings; sugar cane bagasse; residual bamboo cellulose pulp; coffee husk and parchment; maize harvesting wastes; and rice husk. Only the first canonical function was significant, but it presented a low canonical R². High carbon, hydrogen and sulfur contents and low nitrogen contents seem to be related to high total extractives contents of the lignocellulosic wastes. The preliminary results found in this paper indicate that the canonical correlations were not efficient to explain the correlations between the chemical elemental components and lignin contents and higher heating values.

  7. Quasiperiodic canonical-cell tiling with pseudo icosahedral symmetry

    Science.gov (United States)

    Fujita, Nobuhisa

    2017-10-01

    Icosahedral quasicrystals and their approximants are generally described as packing of icosahedral clusters. Experimental studies show that clusters in various approximants are orderly arranged, such that their centers are located at the nodes (or vertices) of a periodic tiling composed of four basic polyhedra called the canonical cells. This so called canonical-cell geometry is likely to serve as a common framework for modeling how clusters are arranged in approximants, while its applicability seems to extend naturally to icosahedral quasicrystals. To date, however, it has not been proved yet if the canonical cells can tile the space quasiperiodically, though we usually believe that clusters in icosahedral quasicrystals are arranged such that quasiperiodic long-range order as well as icosahedral point symmetry is maintained. In this paper, we report for the first time an iterative geometrical transformation of the canonical cells defining a so-called substitution rule, which we can use to generate a class of quasiperiodic canonical-cell tilings. Every single step of the transformation proceeds as follows: each cell is first enlarged by a magnification ratio of τ3 (τ = golden mean) and then subdivided into cells of the original size. Here, cells with an identical shape can be subdivided in several distinct manners depending on how their adjacent neighbors are arranged, and sixteen types of cells are identified in terms of unique subdivision. This class of quasiperiodic canonical-cell tilings presents the first realization of three-dimensional quasiperiodic tilings with fractal atomic surfaces. There are four distinct atomic surfaces associated with four sub-modules of the primitive icosahedral module, where a representative of the four submodules corresponds to the Σ = 4 coincidence site module of the icosahedral module. It follows that the present quasiperiodic tilings involve a kind of superlattice ordering that manifests itself in satellite peaks in the

  8. Accelerating Monte Carlo molecular simulations by reweighting and reconstructing Markov chains: Extrapolation of canonical ensemble averages and second derivatives to different temperature and density conditions

    Energy Technology Data Exchange (ETDEWEB)

    Kadoura, Ahmad; Sun, Shuyu, E-mail: shuyu.sun@kaust.edu.sa; Salama, Amgad

    2014-08-01

    Accurate determination of thermodynamic properties of petroleum reservoir fluids is of great interest to many applications, especially in petroleum engineering and chemical engineering. Molecular simulation has many appealing features, especially its requirement of fewer tuned parameters but yet better predicting capability; however it is well known that molecular simulation is very CPU expensive, as compared to equation of state approaches. We have recently introduced an efficient thermodynamically consistent technique to regenerate rapidly Monte Carlo Markov Chains (MCMCs) at different thermodynamic conditions from the existing data points that have been pre-computed with expensive classical simulation. This technique can speed up the simulation more than a million times, making the regenerated molecular simulation almost as fast as equation of state approaches. In this paper, this technique is first briefly reviewed and then numerically investigated in its capability of predicting ensemble averages of primary quantities at different neighboring thermodynamic conditions to the original simulated MCMCs. Moreover, this extrapolation technique is extended to predict second derivative properties (e.g. heat capacity and fluid compressibility). The method works by reweighting and reconstructing generated MCMCs in canonical ensemble for Lennard-Jones particles. In this paper, system's potential energy, pressure, isochoric heat capacity and isothermal compressibility along isochors, isotherms and paths of changing temperature and density from the original simulated points were extrapolated. Finally, an optimized set of Lennard-Jones parameters (ε, σ) for single site models were proposed for methane, nitrogen and carbon monoxide.

  9. Accelerating Monte Carlo molecular simulations by reweighting and reconstructing Markov chains: Extrapolation of canonical ensemble averages and second derivatives to different temperature and density conditions

    KAUST Repository

    Kadoura, Ahmad Salim

    2014-08-01

    Accurate determination of thermodynamic properties of petroleum reservoir fluids is of great interest to many applications, especially in petroleum engineering and chemical engineering. Molecular simulation has many appealing features, especially its requirement of fewer tuned parameters but yet better predicting capability; however it is well known that molecular simulation is very CPU expensive, as compared to equation of state approaches. We have recently introduced an efficient thermodynamically consistent technique to regenerate rapidly Monte Carlo Markov Chains (MCMCs) at different thermodynamic conditions from the existing data points that have been pre-computed with expensive classical simulation. This technique can speed up the simulation more than a million times, making the regenerated molecular simulation almost as fast as equation of state approaches. In this paper, this technique is first briefly reviewed and then numerically investigated in its capability of predicting ensemble averages of primary quantities at different neighboring thermodynamic conditions to the original simulated MCMCs. Moreover, this extrapolation technique is extended to predict second derivative properties (e.g. heat capacity and fluid compressibility). The method works by reweighting and reconstructing generated MCMCs in canonical ensemble for Lennard-Jones particles. In this paper, system\\'s potential energy, pressure, isochoric heat capacity and isothermal compressibility along isochors, isotherms and paths of changing temperature and density from the original simulated points were extrapolated. Finally, an optimized set of Lennard-Jones parameters (ε, σ) for single site models were proposed for methane, nitrogen and carbon monoxide. © 2014 Elsevier Inc.

  10. Generalized Canonical Time Warping.

    Science.gov (United States)

    Zhou, Feng; De la Torre, Fernando

    2016-02-01

    Temporal alignment of human motion has been of recent interest due to its applications in animation, tele-rehabilitation and activity recognition. This paper presents generalized canonical time warping (GCTW), an extension of dynamic time warping (DTW) and canonical correlation analysis (CCA) for temporally aligning multi-modal sequences from multiple subjects performing similar activities. GCTW extends previous work on DTW and CCA in several ways: (1) it combines CCA with DTW to align multi-modal data (e.g., video and motion capture data); (2) it extends DTW by using a linear combination of monotonic functions to represent the warping path, providing a more flexible temporal warp. Unlike exact DTW, which has quadratic complexity, we propose a linear time algorithm to minimize GCTW. (3) GCTW allows simultaneous alignment of multiple sequences. Experimental results on aligning multi-modal data, facial expressions, motion capture data and video illustrate the benefits of GCTW. The code is available at http://humansensing.cs.cmu.edu/ctw.

  11. Partial multicanonical algorithm for molecular dynamics and Monte Carlo simulations.

    Science.gov (United States)

    Okumura, Hisashi

    2008-09-28

    Partial multicanonical algorithm is proposed for molecular dynamics and Monte Carlo simulations. The partial multicanonical simulation samples a wide range of a part of the potential-energy terms, which is necessary to sample the conformational space widely, whereas a wide range of total potential energy is sampled in the multicanonical algorithm. Thus, one can concentrate the effort to determine the weight factor only on the important energy terms in the partial multicanonical simulation. The partial multicanonical, multicanonical, and canonical molecular dynamics algorithms were applied to an alanine dipeptide in explicit water solvent. The canonical simulation sampled the states of P(II), C(5), alpha(R), and alpha(P). The multicanonical simulation covered the alpha(L) state as well as these states. The partial multicanonical simulation also sampled the C(7) (ax) state in addition to the states that were sampled by the multicanonical simulation. In the partial multicanonical simulation, furthermore, backbone dihedral angles phi and psi rotated more frequently than those in the multicanonical and canonical simulations. These results mean that the partial multicanonical algorithm has a higher sampling efficiency than the multicanonical and canonical algorithms.

  12. A canonical-literary reading of Lamentations 5

    Directory of Open Access Journals (Sweden)

    Shinman Kang

    2009-08-01

    Full Text Available This article presents a canonical and literary reading of Lamentations 5 in the context of the book of Lamentations as a whole. Following the approach by Vanhoozer (1998, 2002 based on speech-act theory, the meaning of Scripture is sought at canonical level, supervening the basic literary level. In Lamentations, as polyphonic poetic text, the speaking voices form a very important key for the interpretation of the text. In the polyphonic text of Lamentations, the shifting of the speaking voices occurs between Lamentations 1 and 4. Lamentations 5 is monologic. The theories of Bakhtin (1984 are also used to understand the book of Lamentations. In this book, chapter 5 forms the climax where Jerusalem cries to God. We cannot, however, find God’s answer to this call in Lamentations; we can find it only within the broader text of the Christian canon.

  13. Unified correspondence and canonicity

    NARCIS (Netherlands)

    Zhao, Z.

    2018-01-01

    Correspondence theory originally arises as the study of the relation between modal formulas and first-order formulas interpreted over Kripke frames. We say that a modal formula and a first-order formula correspond to each other if they are valid on the same class of Kripke frames. Canonicity theory

  14. Interactions between TGF-β1, canonical WNT/β-catenin pathway and PPAR γ in radiation-induced fibrosis.

    Science.gov (United States)

    Vallée, Alexandre; Lecarpentier, Yves; Guillevin, Rémy; Vallée, Jean-Noël

    2017-10-27

    Radiation therapy induces DNA damage and inflammation leading to fibrosis. Fibrosis can occur 4 to 12 months after radiation therapy. This process worsens with time and years. Radiation-induced fibrosis is characterized by fibroblasts proliferation, myofibroblast differentiation, and synthesis of collagen, proteoglycans and extracellular matrix. Myofibroblasts are non-muscle cells that can contract and relax. Myofibroblasts evolve towards irreversible retraction during fibrosis process. In this review, we discussed the interplays between transforming growth factor-β1 (TGF-β1), canonical WNT/β-catenin pathway and peroxisome proliferator-activated receptor gamma (PPAR γ) in regulating the molecular mechanisms underlying the radiation-induced fibrosis, and the potential role of PPAR γ agonists. Overexpression of TGF-β and canonical WNT/β-catenin pathway stimulate fibroblasts accumulation and myofibroblast differentiation whereas PPAR γ expression decreases due to the opposite interplay of canonical WNT/β-catenin pathway. Both TGF-β1 and canonical WNT/β-catenin pathway stimulate each other through the Smad pathway and non-Smad pathways such as phosphatidylinositol 3-kinase/serine/threonine kinase (PI3K/Akt) signaling. WNT/β-catenin pathway and PPAR γ interact in an opposite manner. PPAR γ agonists decrease β-catenin levels through activation of inhibitors of the WNT pathway such as Smad7, glycogen synthase kinase-3 (GSK-3 β) and dickkopf-related protein 1 (DKK1). PPAR γ agonists also stimulate phosphatase and tensin homolog (PTEN) expression, which decreases both TGF-β1 and PI3K/Akt pathways. PPAR γ agonists by activating Smad7 decrease Smads pathway and then TGF-β signaling leading to decrease radiation-induced fibrosis. TGF-β1 and canonical WNT/β-catenin pathway promote radiation-induced fibrosis whereas PPAR γ agonists can prevent radiation-induced fibrosis.

  15. Canonical Quantum Teleportation of Two-Particle Arbitrary State

    Institute of Scientific and Technical Information of China (English)

    HAO Xiang; ZHU Shi-Qun

    2005-01-01

    The canonical quantum teleportation of two-particle arbitrary state is realized by means of phase operator and number operator. The maximally entangled eigenstates between the difference of phase operators and the sum of number operators are considered as the quantum channels. In contrast to the standard quantum teleportation, the different unitary local operation of canonical teleportation can be simplified by a general expression.

  16. Canonical sectors of five-dimensional Chern-Simons theories

    International Nuclear Information System (INIS)

    Miskovic, Olivera; Troncoso, Ricardo; Zanelli, Jorge

    2005-01-01

    The dynamics of five-dimensional Chern-Simons theories is analyzed. These theories are characterized by intricate self couplings which give rise to dynamical features not present in standard theories. As a consequence, Dirac's canonical formalism cannot be directly applied due to the presence of degeneracies of the symplectic form and irregularities of the constraints on some surfaces of phase space, obscuring the dynamical content of these theories. Here we identify conditions that define sectors where the canonical formalism can be applied for a class of non-Abelian Chern-Simons theories, including supergravity. A family of solutions satisfying the canonical requirements is explicitly found. The splitting between first and second class constraints is performed around these backgrounds, allowing the construction of the charge algebra, including its central extension

  17. Alteration of canonical and non-canonical WNT-signaling by crystalline silica in human lung epithelial cells

    International Nuclear Information System (INIS)

    Perkins, Timothy N.; Dentener, Mieke A.; Stassen, Frank R.; Rohde, Gernot G.; Mossman, Brooke T.; Wouters, Emiel F.M.; Reynaert, Niki L.

    2016-01-01

    Growth and development of the mature lung is a complex process orchestrated by a number of intricate developmental signaling pathways. Wingless-type MMTV-integration site (WNT) signaling plays critical roles in controlling branching morphogenesis cell differentiation, and formation of the conducting and respiratory airways. In addition, WNT pathways are often re-activated in mature lungs during repair and regeneration. WNT- signaling has been elucidated as a crucial contributor to the development of idiopathic pulmonary fibrosis as well as other hyper-proliferative lung diseases. Silicosis, a detrimental occupational lung disease caused by excessive inhalation of crystalline silica dust, is hallmarked by repeated cycles of damaging inflammation, epithelial hyperplasia, and formation of dense, hyalinized nodules of whorled collagen. However, mechanisms of epithelial cell hyperplasia and matrix deposition are not well understood, as most research efforts have focused on the pronounced inflammatory response. Microarray data from our previous studies has revealed a number of WNT-signaling and WNT-target genes altered by crystalline silica in human lung epithelial cells. In the present study, we utilize pathway analysis to designate connections between genes altered by silica in WNT-signaling networks. Furthermore, we confirm microarray findings by QRT-PCR and demonstrate both activation of canonical (β-catenin) and down-regulation of non-canonical (WNT5A) signaling in immortalized (BEAS-2B) and primary (PBEC) human bronchial epithelial cells. These findings suggest that WNT-signaling and cross-talk with other pathways (e.g. Notch), may contribute to proliferative, fibrogenic and inflammatory responses to silica in lung epithelial cells. - Highlights: • Pathway analysis reveals silica-induced WNT-signaling in lung epithelial cells. • Silica-induced canonical WNT-signaling is mediated by autocrine/paracrine signals. • Crystalline silica decreases non-canonical WNT

  18. Alteration of canonical and non-canonical WNT-signaling by crystalline silica in human lung epithelial cells

    Energy Technology Data Exchange (ETDEWEB)

    Perkins, Timothy N.; Dentener, Mieke A. [Department of Respiratory Medicine, Maastricht University Medical Centre +, Maastricht University Maastricht (Netherlands); Stassen, Frank R. [Department of Medical Microbiology, Maastricht University Medical Centre +, Maastricht University Maastricht (Netherlands); Rohde, Gernot G. [Department of Respiratory Medicine, Maastricht University Medical Centre +, Maastricht University Maastricht (Netherlands); Mossman, Brooke T. [Department of Pathology, University of Vermont College of Medicine, Burlington, VT (United States); Wouters, Emiel F.M. [Department of Respiratory Medicine, Maastricht University Medical Centre +, Maastricht University Maastricht (Netherlands); Reynaert, Niki L., E-mail: n.reynaert@maastrichtuniversity.nl [Department of Respiratory Medicine, Maastricht University Medical Centre +, Maastricht University Maastricht (Netherlands)

    2016-06-15

    Growth and development of the mature lung is a complex process orchestrated by a number of intricate developmental signaling pathways. Wingless-type MMTV-integration site (WNT) signaling plays critical roles in controlling branching morphogenesis cell differentiation, and formation of the conducting and respiratory airways. In addition, WNT pathways are often re-activated in mature lungs during repair and regeneration. WNT- signaling has been elucidated as a crucial contributor to the development of idiopathic pulmonary fibrosis as well as other hyper-proliferative lung diseases. Silicosis, a detrimental occupational lung disease caused by excessive inhalation of crystalline silica dust, is hallmarked by repeated cycles of damaging inflammation, epithelial hyperplasia, and formation of dense, hyalinized nodules of whorled collagen. However, mechanisms of epithelial cell hyperplasia and matrix deposition are not well understood, as most research efforts have focused on the pronounced inflammatory response. Microarray data from our previous studies has revealed a number of WNT-signaling and WNT-target genes altered by crystalline silica in human lung epithelial cells. In the present study, we utilize pathway analysis to designate connections between genes altered by silica in WNT-signaling networks. Furthermore, we confirm microarray findings by QRT-PCR and demonstrate both activation of canonical (β-catenin) and down-regulation of non-canonical (WNT5A) signaling in immortalized (BEAS-2B) and primary (PBEC) human bronchial epithelial cells. These findings suggest that WNT-signaling and cross-talk with other pathways (e.g. Notch), may contribute to proliferative, fibrogenic and inflammatory responses to silica in lung epithelial cells. - Highlights: • Pathway analysis reveals silica-induced WNT-signaling in lung epithelial cells. • Silica-induced canonical WNT-signaling is mediated by autocrine/paracrine signals. • Crystalline silica decreases non-canonical WNT

  19. Bioinformatics analysis on molecular mechanism of rheum officinale in treatment of jaundice

    Science.gov (United States)

    Shan, Si; Tu, Jun; Nie, Peng; Yan, Xiaojun

    2017-01-01

    Objective: To study the molecular mechanism of Rheum officinale in the treatment of Jaundice by building molecular networks and comparing canonical pathways. Methods: Target proteins of Rheum officinale and related genes of Jaundice were searched from Pubchem and Gene databases online respectively. Molecular networks and canonical pathways comparison analyses were performed by Ingenuity Pathway Analysis (IPA). Results: The molecular networks of Rheum officinale and Jaundice were complex and multifunctional. The 40 target proteins of Rheum officinale and 33 Homo sapiens genes of Jaundice were found in databases. There were 19 common pathways both related networks. Rheum officinale could regulate endothelial differentiation, Interleukin-1B (IL-1B) and Tumor Necrosis Factor (TNF) in these pathways. Conclusions: Rheum officinale treat Jaundice by regulating many effective nodes of Apoptotic pathway and cellular immunity related pathways.

  20. Intermediate inflation from a non-canonical scalar field

    Energy Technology Data Exchange (ETDEWEB)

    Rezazadeh, K.; Karami, K. [Department of Physics, University of Kurdistan, Pasdaran St., Sanandaj (Iran, Islamic Republic of); Karimi, P., E-mail: rezazadeh86@gmail.com, E-mail: KKarami@uok.ac.ir, E-mail: parvin.karimi67@yahoo.com [Center for Excellence in Astronomy and Astrophysics (CEAA-RIAAM), P.O. Box 55134-441, Maragha (Iran, Islamic Republic of)

    2015-09-01

    We study the intermediate inflation in a non-canonical scalar field framework with a power-like Lagrangian. We show that in contrast with the standard canonical intermediate inflation, our non-canonical model is compatible with the observational results of Planck 2015. Also, we estimate the equilateral non-Gaussianity parameter which is in well agreement with the prediction of Planck 2015. Then, we obtain an approximation for the energy scale at the initial time of inflation and show that it can be of order of the Planck energy scale, i.e. M{sub P} ∼ 10{sup 18}GeV. We will see that after a short period of time, inflation enters in the slow-roll regime that its energy scale is of order M{sub P}/100 ∼ 10{sup 16}GeV and the horizon exit takes place in this energy scale. We also examine an idea in our non-canonical model to overcome the central drawback of intermediate inflation which is the fact that inflation never ends. We solve this problem without disturbing significantly the nature of the intermediate inflation until the time of horizon exit.

  1. Molecular Simulation of Adsorption in Microporous Materials

    Directory of Open Access Journals (Sweden)

    Yiannourakou M.

    2013-11-01

    Full Text Available The development of industrial software, the decreasing cost of computing time, and the availability of well-tested forcefields make molecular simulation increasingly attractive for chemical engineers. We present here several applications of Monte-Carlo simulation techniques, applied to the adsorption of fluids in microporous solids such as zeolites and model carbons (pores < 2 nm. Adsorption was computed in the Grand Canonical ensemble with the MedeA®-GIBBS software, using energy grids to decrease computing time. MedeA®-GIBBS has been used for simulations in the NVT or NPT ensembles to obtain the density and fugacities of fluid phases. Simulation results are compared with experimental pure component isotherms in zeolites (hydrocarbon gases, water, alkanes, aromatics, ethanethiol, etc., and mixtures (methane-ethane, n-hexane-benzene, over a large range of temperatures. Hexane/benzene selectivity inversions between silicalite and Na-faujasites are well predicted with published forcefields, providing an insight on the underlying mechanisms. Also, the adsorption isotherms in Na-faujasites for light gases or ethane-thiol are well described. Regarding organic adsorbents, models of mature kerogen or coal were built in agreement with known chemistry of these systems. Obtaining realistic kerogen densities with the simple relaxation approach considered here is encouraging for the investigation of other organic systems. Computing excess sorption curves in qualitative agreement with those recently measured on dry samples of gas shale is also favorable. Although still preliminary, such applications illustrate the strength of molecular modeling in understanding complex systems in conditions where experiments are difficult.

  2. A non-canonical transferred DNA insertion at the BRI1 locus in Arabidopsis thaliana.

    Science.gov (United States)

    Zhao, Zhong; Zhu, Yan; Erhardt, Mathieu; Ruan, Ying; Shen, Wen-Hui

    2009-04-01

    Agrobacterium-mediated transformation is widely used in transgenic plant engineering and has been proven to be a powerful tool for insertional mutagenesis of the plant genome. The transferred DNA (T-DNA) from Agrobacterium is integrated into the plant genome through illegitimate recombination between the T-DNA and the plant DNA. Contrasting to the canonical insertion, here we report on a locus showing a complex mutation associated with T-DNA insertion at the BRI1 gene in Arabidopsis thaliana. We obtained a mutant line, named salade for its phenotype of dwarf stature and proliferating rosette. Molecular characterization of this mutant revealed that in addition to T-DNA a non-T-DNA-localized transposon from bacteria was inserted in the Arabidopsis genome and that a region of more than 11.5 kb of the Arabidopsis genome was deleted at the insertion site. The deleted region contains the brassinosteroid receptor gene BRI1 and the transcription factor gene WRKY13. Our finding reveals non-canonical T-DNA insertion, implicating horizontal gene transfer and cautioning the use of T-DNA as mutagen in transgenic research.

  3. Sparse canonical methods for biological data integration: application to a cross-platform study

    Directory of Open Access Journals (Sweden)

    Robert-Granié Christèle

    2009-01-01

    Full Text Available Abstract Background In the context of systems biology, few sparse approaches have been proposed so far to integrate several data sets. It is however an important and fundamental issue that will be widely encountered in post genomic studies, when simultaneously analyzing transcriptomics, proteomics and metabolomics data using different platforms, so as to understand the mutual interactions between the different data sets. In this high dimensional setting, variable selection is crucial to give interpretable results. We focus on a sparse Partial Least Squares approach (sPLS to handle two-block data sets, where the relationship between the two types of variables is known to be symmetric. Sparse PLS has been developed either for a regression or a canonical correlation framework and includes a built-in procedure to select variables while integrating data. To illustrate the canonical mode approach, we analyzed the NCI60 data sets, where two different platforms (cDNA and Affymetrix chips were used to study the transcriptome of sixty cancer cell lines. Results We compare the results obtained with two other sparse or related canonical correlation approaches: CCA with Elastic Net penalization (CCA-EN and Co-Inertia Analysis (CIA. The latter does not include a built-in procedure for variable selection and requires a two-step analysis. We stress the lack of statistical criteria to evaluate canonical correlation methods, which makes biological interpretation absolutely necessary to compare the different gene selections. We also propose comprehensive graphical representations of both samples and variables to facilitate the interpretation of the results. Conclusion sPLS and CCA-EN selected highly relevant genes and complementary findings from the two data sets, which enabled a detailed understanding of the molecular characteristics of several groups of cell lines. These two approaches were found to bring similar results, although they highlighted the same

  4. Structural, mutational and biophysical studies reveal a canonical mode of molecular recognition between immune receptor TIGIT and nectin-2

    Energy Technology Data Exchange (ETDEWEB)

    Samanta, Dibyendu; Guo, Haisu; Rubinstein, Rotem; Ramagopal, Udupi A.; Almo, Steven C.

    2017-01-01

    In addition to antigen-specific stimulation of T cell receptor (TCR) by a peptide-MHC complex, the functional outcome of TCR engagement is regulated by antigen-independent costimulatory signals. Costimulatory signals are provided by an array of interactions involving activating and inhibitory receptors expressed on T cells and their cognate ligands on antigen presenting cells. T cell immunoglobulin and ITIM domain (TIGIT), a recently identified immune receptor expressed on T and NK cells, upon interaction with either of its two ligands, nectin-2 or poliovirus receptor (PVR), inhibits activation of T and NK cells. Here we report the crystal structure of the human TIGIT ectodomain, which exhibits the classic two-layer β-sandwich topology observed in other immunoglobulin super family (IgSF) members. Biophysical studies indicate that TIGIT is monomeric in solution but can form a dimer at high concentrations, consistent with the observation of a canonical immunoglobulin-like dimer interface in the crystalline state. Based on existing structural data, we present a model of the TIGIT:nectin-2 complex and utilized complementary biochemical studies to map the nectin-binding interface on TIGIT. Our data provide important structural and biochemical determinants responsible for the recognition of nectin-2 by TIGIT. Defining the TIGIT:nectin-2 binding interface provides the basis for rational manipulation of this molecular interaction for the development of immunotherapeutic reagents in autoimmunity and cancer.

  5. DP 71 AND BETA DYSTROGLYCAN INTERACTION: A MOLECULAR MODELING APPROACH TO UNDERSTAND DUCHENNE MUSCULAR DYSTROPHY

    Directory of Open Access Journals (Sweden)

    Simanti Bhattacharya,

    2013-12-01

    Full Text Available Dp 71 is the most prevalent and widely expressed non muscle isoform of dystrophin (Dp and its mutations are associated with Duchenne muscular dystrophy, a severe form of muscular disorder. Dp 71 deviates from the canonical Dp by means of its truncated N terminal which also has abolished certain amino acids that comprise WW domain in the canonical form. This WW domain is very crucial for Dp’s interaction with partner proteins to establish a bridge between extra cellular matrices and cellular cytoskeleton. In our current study we have employed molecular modeling technique to understand the structural architecture of the N terminal region of Dp 71 and its deviation from the canonical form. We have further extended our studies to analyze the interaction probabilities between Dp 71 and β-DG applying molecular docking. Our studies for the first time have revealed that in spite of the underlying differences in terms of amino acids and structural organization, Dp 71 can interact with β-DG with its N terminal region which shares the similar molecular surface with the canonical form of Dp. These findings have opened up a platform to investigate the molecular interactions, spatio temporal orientations of the amino acids of Dp 71 and β-DG to understand the onset of DMD in much more greater detail

  6. Canonical sound speed profile for the central Bay of Bengal

    Digital Repository Service at National Institute of Oceanography (India)

    Murty, T.V.R.; PrasannaKumar, S.; Somayajulu, Y.K.; Sastry, J.S.; De Figueiredo, R.J.P.

    Following Munk's canonical theory, an algorithm has been presented for computing sound channel parameters in the western and southern Bay of Bengal. The estimated canonical sound speed profile using these parameters has been compared with computed...

  7. Inhibition of adipocytogenesis by canonical WNT signaling in human mesenchymal stem cells

    International Nuclear Information System (INIS)

    Shen, Longxiang; Glowacki, Julie; Zhou, Shuanhu

    2011-01-01

    The WNT signaling pathway plays important roles in the self-renewal and differentiation of mesenchymal stem cells (MSCs). Little is known about WNT signaling in adipocyte differentiation of human MSCs. In this study, we tested the hypothesis that canonical and non-canonical WNTs differentially regulate in vitro adipocytogenesis in human MSCs. The expression of adipocyte gene PPARγ2, lipoprotein lipase, and adipsin increased during adipocytogenesis of hMSCs. Simultaneously, the expression of canonical WNT2, 10B, 13, and 14 decreased, whereas non-canonical WNT4 and 11 increased, and WNT5A was unchanged. A small molecule WNT mimetic, SB-216763, increased accumulation of β-catenin protein, inhibited induction of WNT4 and 11 and inhibited adipocytogenesis. In contrast, knockdown of β-catenin with siRNA resulted in spontaneous adipocytogenesis. These findings support the view that canonical WNT signaling inhibits and non-canonical WNT signaling promotes adipocytogenesis in adult human marrow-derived mesenchymal stem cells.

  8. A canonical-literary reading of Lamentations 5 | Kang | HTS ...

    African Journals Online (AJOL)

    This article presents a canonical and literary reading of Lamentations 5 in the context of the book of Lamentations as a whole. Following the approach by Vanhoozer (1998, 2002) based on speech-act theory, the meaning of Scripture is sought at canonical level, supervening the basic literary level. In Lamentations, as ...

  9. Canonical basis for type A4 (II) - Polynomial elements in one variable

    International Nuclear Information System (INIS)

    Hu Yuwang; Ye Jiachen

    2003-12-01

    All the 62 monomial elements in the canonical basis B of the quantized enveloping algebra for type A 4 have been determined. According to Lusztig's idea, the elements in the canonical basis B consist of monomials and linear combinations of monomials (for convenience, we call them polynomials). In this note, we compute all the 144 polynomial elements in one variable in the canonical basis B of the quantized enveloping algebra for type A 4 based on our joint note. We conjecture that there are other polynomial elements in two or three variables in the canonical basis B, which include independent variables and dependent variables. Moreover, it is conjectured that there are no polynomial elements in the canonical basis B with four or more variables. (author)

  10. Realizations of the canonical representation

    Indian Academy of Sciences (India)

    Traditionally, the canonical representation is realized on the Hilbert space ... Fix a decomposition R2n = Rn × Rn ..... to an orthonormal basis {ψ1,ψ2,. ..... [7] Vemuri M K, A non-commutative Sobolev inequality and its application to spectral.

  11. Statistical hadronization and hadronic micro-canonical ensemble II

    International Nuclear Information System (INIS)

    Becattini, F.; Ferroni, L.

    2004-01-01

    We present a Monte Carlo calculation of the micro-canonical ensemble of the ideal hadron-resonance gas including all known states up to a mass of about 1.8 GeV and full quantum statistics. The micro-canonical average multiplicities of the various hadron species are found to converge to the canonical ones for moderately low values of the total energy, around 8 GeV, thus bearing out previous analyses of hadronic multiplicities in the canonical ensemble. The main numerical computing method is an importance sampling Monte Carlo algorithm using the product of Poisson distributions to generate multi-hadronic channels. It is shown that the use of this multi-Poisson distribution allows for an efficient and fast computation of averages, which can be further improved in the limit of very large clusters. We have also studied the fitness of a previously proposed computing method, based on the Metropolis Monte Carlo algorithm, for event generation in the statistical hadronization model. We find that the use of the multi-Poisson distribution as proposal matrix dramatically improves the computation performance. However, due to the correlation of subsequent samples, this method proves to be generally less robust and effective than the importance sampling method. (orig.)

  12. Deep sequencing of small RNAs identifies canonical and non-canonical miRNA and endogenous siRNAs in mammalian somatic tissues.

    Science.gov (United States)

    Castellano, Leandro; Stebbing, Justin

    2013-03-01

    MicroRNAs (miRNAs) are small RNA molecules that regulate gene expression. They are characterized by specific maturation processes defined by canonical and non-canonical biogenic pathways. Analysis of ∼0.5 billion sequences from mouse data sets derived from different tissues, developmental stages and cell types, partly characterized by either ablation or mutation of the main proteins belonging to miRNA processor complexes, reveals 66 high-confidence new genomic loci coding for miRNAs that could be processed in a canonical or non-canonical manner. A proportion of the newly discovered miRNAs comprises mirtrons, for which we define a new sub-class. Notably, some of these newly discovered miRNAs are generated from untranslated and open reading frames of coding genes, and we experimentally validate these. We also show that many annotated miRNAs do not present miRNA-like features, as they are neither processed by known processing complexes nor loaded on AGO2; this indicates that the current miRNA miRBase database list should be refined and re-defined. Accordingly, a group of them map on ribosomal RNA molecules, whereas others cannot undergo genuine miRNA biogenesis. Notably, a group of annotated miRNAs are Dgcr8 independent and DICER dependent endogenous small interfering RNAs that derive from a unique hairpin formed from a short interspersed nuclear element.

  13. Association Study between Lead and Zinc Accumulation at Different Physiological Systems of Cattle by Canonical Correlation and Canonical Correspondence Analyses

    Science.gov (United States)

    Karmakar, Partha; Das, Pradip Kumar; Mondal, Seema Sarkar; Karmakar, Sougata; Mazumdar, Debasis

    2010-10-01

    Pb pollution from automobile exhausts around highways is a persistent problem in India. Pb intoxication in mammalian body is a complex phenomenon which is influence by agonistic and antagonistic interactions of several other heavy metals and micronutrients. An attempt has been made to study the association between Pb and Zn accumulation in different physiological systems of cattles (n = 200) by application of both canonical correlation and canonical correspondence analyses. Pb was estimated from plasma, liver, bone, muscle, kidney, blood and milk where as Zn was measured from all these systems except bone, blood and milk. Both statistical techniques demonstrated that there was a strong association among blood-Pb, liver-Zn, kidney-Zn and muscle-Zn. From observations, it can be assumed that Zn accumulation in cattles' muscle, liver and kidney directs Pb mobilization from those organs which in turn increases Pb pool in blood. It indicates antagonistic activity of Zn to the accumulation of Pb. Although there were some contradictions between the observations obtained from the two different statistical methods, the overall pattern of Pb accumulation in various organs as influenced by Zn were same. It is mainly due to the fact that canonical correlation is actually a special type of canonical correspondence analyses where linear relationship is followed between two groups of variables instead of Gaussian relationship.

  14. Association Study between Lead and Zinc Accumulation at Different Physiological Systems of Cattle by Canonical Correlation and Canonical Correspondence Analyses

    International Nuclear Information System (INIS)

    Karmakar, Partha; Das, Pradip Kumar; Mondal, Seema Sarkar; Karmakar, Sougata; Mazumdar, Debasis

    2010-01-01

    Pb pollution from automobile exhausts around highways is a persistent problem in India. Pb intoxication in mammalian body is a complex phenomenon which is influence by agonistic and antagonistic interactions of several other heavy metals and micronutrients. An attempt has been made to study the association between Pb and Zn accumulation in different physiological systems of cattles (n = 200) by application of both canonical correlation and canonical correspondence analyses. Pb was estimated from plasma, liver, bone, muscle, kidney, blood and milk where as Zn was measured from all these systems except bone, blood and milk. Both statistical techniques demonstrated that there was a strong association among blood-Pb, liver-Zn, kidney-Zn and muscle-Zn. From observations, it can be assumed that Zn accumulation in cattles' muscle, liver and kidney directs Pb mobilization from those organs which in turn increases Pb pool in blood. It indicates antagonistic activity of Zn to the accumulation of Pb. Although there were some contradictions between the observations obtained from the two different statistical methods, the overall pattern of Pb accumulation in various organs as influenced by Zn were same. It is mainly due to the fact that canonical correlation is actually a special type of canonical correspondence analyses where linear relationship is followed between two groups of variables instead of Gaussian relationship.

  15. The canonical quantization of local scalar fields over quantum space-time

    International Nuclear Information System (INIS)

    Banai, M.

    1983-05-01

    Canonical quantization of a classical local field theory (CLFT) consisting of N real scalar fields is formulated in the Hilbert space over the sup(*)-algebra A of linear operators of L 2 (R 3 ). The canonical commutation relations (CCR) have an irreducible solution, unique up to A-unitary equivalence. The canonical equations as operator equations are equivalent to the classical (c) field equations. The interaction picture can be introduced in a well-defined manner. The main adventage of this treatment is that the corresponding S-matrix is free of divergences. The Feynman's graph technique is adaptable in a straightforward manner. This approach is a natural extension of the conventional canonical quantization method of quantum mechanics. (author)

  16. Canonical transformations method in the potential scattering problem

    International Nuclear Information System (INIS)

    Pavlenko, Yu.G.

    1984-01-01

    Canonical formalism of the first order is used in the present paper to solve the problem of scattering and other problems of quantum mechanics. The theory of canonical transformations (CT) being the basis of hamiltonian approach permits to develop several methods of integration being beyond the scope of the standard theory of perturbations. In this case it is essential for numerical counting that the theory permits to obtain algorithm for plotting highest approximations

  17. Process modelling on a canonical basis[Process modelling; Canonical modelling

    Energy Technology Data Exchange (ETDEWEB)

    Siepmann, Volker

    2006-12-20

    Based on an equation oriented solving strategy, this thesis investigates a new approach to process modelling. Homogeneous thermodynamic state functions represent consistent mathematical models of thermodynamic properties. Such state functions of solely extensive canonical state variables are the basis of this work, as they are natural objective functions in optimisation nodes to calculate thermodynamic equilibrium regarding phase-interaction and chemical reactions. Analytical state function derivatives are utilised within the solution process as well as interpreted as physical properties. By this approach, only a limited range of imaginable process constraints are considered, namely linear balance equations of state variables. A second-order update of source contributions to these balance equations is obtained by an additional constitutive equation system. These equations are general dependent on state variables and first-order sensitivities, and cover therefore practically all potential process constraints. Symbolic computation technology efficiently provides sparsity and derivative information of active equations to avoid performance problems regarding robustness and computational effort. A benefit of detaching the constitutive equation system is that the structure of the main equation system remains unaffected by these constraints, and a priori information allows to implement an efficient solving strategy and a concise error diagnosis. A tailor-made linear algebra library handles the sparse recursive block structures efficiently. The optimisation principle for single modules of thermodynamic equilibrium is extended to host entire process models. State variables of different modules interact through balance equations, representing material flows from one module to the other. To account for reusability and encapsulation of process module details, modular process modelling is supported by a recursive module structure. The second-order solving algorithm makes it

  18. A novel tankyrase inhibitor decreases canonical Wnt signaling in colon carcinoma cells and reduces tumor growth in conditional APC mutant mice

    Czech Academy of Sciences Publication Activity Database

    Waaler, J.; Machoň, Ondřej; Tůmová, Lucie; Dinh, H.; Kořínek, Vladimír; Wilson, S.R.; Paulsen, J.E.; Pedersen, N.M.; Eide, T.J.; Machoňová, Olga; Gradl, D.; Voronkov, A.; von Kries, J.P.; Krauss, S.

    2012-01-01

    Roč. 72, č. 11 (2012), s. 2822-2832 ISSN 0008-5472 R&D Projects: GA ČR GAP305/12/2042; GA MŠk 2B06077 Institutional research plan: CEZ:AV0Z50520514 Keywords : beta-catenin * canonical Wnt signaling * tankyrase * inhibition Subject RIV: EB - Genetics ; Molecular Biology Impact factor: 8.650, year: 2012

  19. Canonical Authors in Consumption Theory

    DEFF Research Database (Denmark)

    Canonical Authors in Consumption Theory is the first work to compile the contributions of the greatest social thinkers in the global conversation about consumption and consumer culture. A prestigious reference work, it offers original chapters by the world's most prominent thought leaders and sur...

  20. Canonical duality theory unified methodology for multidisciplinary study

    CERN Document Server

    Latorre, Vittorio; Ruan, Ning

    2017-01-01

    This book on canonical duality theory provides a comprehensive review of its philosophical origin, physics foundation, and mathematical statements in both finite- and infinite-dimensional spaces. A ground-breaking methodological theory, canonical duality theory can be used for modeling complex systems within a unified framework and for solving a large class of challenging problems in multidisciplinary fields in engineering, mathematics, and the sciences. This volume places a particular emphasis on canonical duality theory’s role in bridging the gap between non-convex analysis/mechanics and global optimization.  With 18 total chapters written by experts in their fields, this volume provides a nonconventional theory for unified understanding of the fundamental difficulties in large deformation mechanics, bifurcation/chaos in nonlinear science, and the NP-hard problems in global optimization. Additionally, readers will find a unified methodology and powerful algorithms for solving challenging problems in comp...

  1. Caracterização antigênica e molecular de oito amostras do vírus da doença de Aujeszky isoladas no estado do Rio Grande do Sul em 2003 Antigenic and molecular characterization of eight samples of Aujeszky's disease virus isolated in the state of Rio Grande do Sul, Brazil, in 2003

    Directory of Open Access Journals (Sweden)

    Alessandra D'Ávila da Silva

    2005-03-01

    Full Text Available A doença de Aujeszky ou pseudoraiva (DA, causada pelo vírus da pseudoraiva (PRV é a maior preocupação na produção de suínos. No estado do Rio Grande do Sul, Brasil, a DA foi somente detectada em 1954, em bovino. Em 2003, ocorreram dois surtos de encefalite em granjas na região norte do estado, fronteira com o estado de Santa Catarina. O vírus da doença de Aujeszky (VDA foi isolado a partir de animais coletados em oito granjas distintas da região e submetido a análises antigênicas e moleculares. As amostras de VDA isoladas foram comparadas com as amostras padrão NIA-3 e NP. A caracterização antigênica dos mesmos foi realizada com testes de imunoperoxidase frente a um painel de anticorpos mono-clonais (Mabs preparado contra epitopos de glicoproteinas virais (gB, gC, gD e gE. A caracterização genômica foi realizada através da análise restrição enzimática (REA sobre o genoma total das amostras, com a enzima de restrição (REA Bam HI. O perfil antigênico das oito amostras isoladas no Rio Grande do Sul, bem como os apresentados pelas amostras padrão NIA-3 e NP, foram similares. A REA revelou que todos as oito amostras do Rio Grande do Sul apresentaram um arranjo genômico do tipo II, genótipo frequentemente encontrado em surtos prévios de DA em outros estados do Brasil. Os resultados aqui obtidos indicam que as oito amostras isoladas no Rio Grande do Sul são similares.Pseudorabies or Aujeszky's disease (AD, caused by pseudorabies virus (PRV is a major concern in swine production. In the state of Rio Grande do Sul, Brazil, AD was only detected in 1954, in cattle. In 2003 two outbreaks of encephalitis occurred on the northern region of the state, close to the border with the state of Santa Catarina. Pseudorabies virus (PRV was isolated from distinct farms within the region and subjected to antigenic and genomic analyses. These isolates were compared with prototype strains NIA-3 and NP. Antigenic characterization with a

  2. Climate Prediction Center(CPC)Ensemble Canonical Correlation Analysis Forecast of Temperature

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The Ensemble Canonical Correlation Analysis (ECCA) temperature forecast is a 90-day (seasonal) outlook of US surface temperature anomalies. The ECCA uses Canonical...

  3. CANONICAL BACKWARD DIFFERENTIATION SCHEMES FOR ...

    African Journals Online (AJOL)

    This paper describes a new nonlinear backward differentiation schemes for the numerical solution of nonlinear initial value problems of first order ordinary differential equations. The schemes are based on rational interpolation obtained from canonical polynomials. They are A-stable. The test problems show that they give ...

  4. Modern canonical quantum general relativity

    CERN Document Server

    Thiemann, Thomas

    2007-01-01

    This is an introduction to the by now fifteen years old research field of canonical quantum general relativity, sometimes called "loop quantum gravity". The term "modern" in the title refers to the fact that the quantum theory is based on formulating classical general relativity as a theory of connections rather than metrics as compared to in original version due to Arnowitt, Deser and Misner. Canonical quantum general relativity is an attempt to define a mathematically rigorous, non-perturbative, background independent theory of Lorentzian quantum gravity in four spacetime dimensions in the continuum. The approach is minimal in that one simply analyzes the logical consequences of combining the principles of general relativity with the principles of quantum mechanics. The requirement to preserve background independence has lead to new, fascinating mathematical structures which one does not see in perturbative approaches, e.g. a fundamental discreteness of spacetime seems to be a prediction of the theory provi...

  5. Solving a molecular docking problem by the modified PSO method

    Directory of Open Access Journals (Sweden)

    A. P. Karpenko

    2014-01-01

    Full Text Available The paper presents an canonical method of the swarm particles in two modifications to raise this method efficiency in solving multi-extreme problems of high dimension optimization. The essence of PSO-M1 modification is to form two new points to attract swarm particles (along with the points which are responsible for inertial, cognitive, and social components of canonical method. These new points represent the best points of sets of particles-neighbours of a given point. The modification aims to diversify search. All free parameters of the PSO-M1 method (as well as an canonical method are static. In contrast, one of such parameters of PSO-M2 modification is dynamic. So this modification represents an example of a self-adaptive method of optimization. The modification aims to intensify search. A computing experiment to study the method efficiency and its abovementioned modifications at solving the test problems of optimization showed advantages of offered modifications in comparison with canonical method, revealed a superiority of PSO-M2 modification both over canonical method, and over PSO-M1 modification. Using the PSO-M2 method allows us to solve the 28-dimensional molecular docking problem of HIV1 protease and darunaviry 3U7S as the molecules of receptor and a ligand, respectively. Results of computing experiment have shown that the PSO-M2 method successfully finds the position of ligand close to native and can be recommended for solving the molecular docking problems as an alternative to genetic algorithm.

  6. Place Of Canon Law Of The Russian Empire In The System Io Humanitarian

    Directory of Open Access Journals (Sweden)

    Alexandra A. Dorskaya

    2014-12-01

    Full Text Available In the present article author examines place of canon law in the system of humanitarian sciences in the Russian Empire at the end of XVIII - early XX centuries. Author reveals interaction of canon law with philosophy, philology, jurisprudence. In particular, author shows influence of various philosophical schools on the development of the canon law science, value of foreign researches translation for the development of national science of canon law starting from the end of the XVIII century. It is found that all researchers in the field of canon law had special scientific works on philosophy. Interference of cannon law and theological science – dogmatic theology, moral theology, liturgy, church geography, chronology, statistics, history, archeology, pastoral theology is considered. In the article works of leading specialists in the field of canon law the second half of XIX - early XX centuries that were left as a significant legacy after the Archimandrite Gabriel, I.S. Berdnikova, N.A. Zaozerskii, I.M. Skvortsov and others are analyzed. In conclusion author shows complexity and urgency of the problem in the process of church (canon law study at the present stage, when there is some struggle between the secular and religious science.

  7. Canonical forms of tensor representations and spontaneous symmetry breaking

    International Nuclear Information System (INIS)

    Cummins, C.J.

    1986-01-01

    An algorithm for constructing canonical forms for any tensor representation of the classical compact Lie groups is given. This method is used to find a complete list of the symmetry breaking patterns produced by Higgs fields in the third-rank antisymmetric representations of U(n), SU(n) and SO(n) for n<=7. A simple canonical form is also given for kth-rank symmetric tensor representations. (author)

  8. 37 CFR 10.21 - Canon 1.

    Science.gov (United States)

    2010-07-01

    ... REPRESENTATION OF OTHERS BEFORE THE PATENT AND TRADEMARK OFFICE Patent and Trademark Office Code of Professional Responsibility § 10.21 Canon 1. A practitioner should assist in maintaining the integrity and competence of the...

  9. A Molecular Simulation Study of Adsorption of Nitrogen and Methane in Titanium Silicate (ETS-4)

    Czech Academy of Sciences Publication Activity Database

    Siperstein, F.R.; Lísal, Martin; Brennan, J.K.

    2010-01-01

    Roč. 75, č. 2 (2010), s. 145-164 ISSN 0010-0765 R&D Projects: GA ČR GA203/08/0094; GA AV ČR KAN400720701; GA AV ČR 1ET400720507 Grant - others:NMP3(XE) CT/2006/033304; GC(ES) BE00334 Institutional research plan: CEZ:AV0Z40720504 Keywords : adsorption isotherms * grand canonical monte carlo * self diffusion Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.853, year: 2010

  10. Grandes remolques

    Directory of Open Access Journals (Sweden)

    Editorial, Equipo

    1961-07-01

    Full Text Available El empleo creciente del material pesado auxiliar en la construcción de obras de ingeniería civil ha motivado la fabricación de grandes plataformas, capaces de transportar toda clase de maquinaria auxiliar. En general, este tipo de maquinaria requiere medios de transporte, pues su circulación por carreteras es lenta, obstructiva y cara, siempre que se trate de grandes distancias, caso presente en la mayoría de ocasiones en que se exige un traslado de esta maquinaria de una a otra obra.

  11. Romanticism, Sexuality, and the Canon.

    Science.gov (United States)

    Rowe, Kathleen K.

    1990-01-01

    Traces the Romanticism in the work and persona of film director Jean-Luc Godard. Examines the contradictions posed by Godard's politics and representations of sexuality. Asserts, that by bringing an ironic distance to the works of such canonized directors, viewers can take pleasure in those works despite their contradictions. (MM)

  12. Canonical correlation between the gamma and X-ray data of Swift GRBs

    International Nuclear Information System (INIS)

    Balazs, L. G.; Horvath, I.; Meszaros, P.; Tusnady, G.; Veres, P.

    2009-01-01

    We used the canonical correlation analysis of the multivariate statistics to study the interrelation between the gamma (Fluence, 1 sec Peakflux, duration) and X-ray (early X flux, 24 hours X flux, X decay index, X spectral index, X HI column density) data. We computed the canonical correlations and variables showing that there is a significant interrelation between the gamma and X-ray data. Using the canonical variables resulted in the analysis we computed their correlations (canonical loadings) with the original ones. The canonical loadings revealed that the gamma-ray fluence and the early X-ray flux give the strongest contribution to the correlation in contrast to the X-ray decay index and spectral index. An interesting new result appears to be the strong contribution of the HI column density to the correlation. Accepting the collapsar model of long GRBs this effect may be interpreted as an indication for the ejection of an HI envelope by the progenitor in the course of producing the GRB.

  13. CERN Photo Club (CPC) / Canon Contest - My View of CERN

    CERN Multimedia

    Steyaert, Didier

    2016-01-01

    The CERN Photo Club has organized in collaboration with Canon Switzerland a photo contest open to all members of the CERN (Persons with a CERN access card). The only restriction is that the photos must have been taken with a CANON camera (DSLR, bridge or compact) between 1 and 31 October 2016.

  14. Steady-state molecular dynamics simulation of vapor to liquid nucleation with Mc Donald's demon

    International Nuclear Information System (INIS)

    Horsch, M.; Miroshnichenko, S.; Vrabec, J.

    2009-01-01

    Grand canonical MD with McDonald's demon is discussed in the present contribution and applied for sampling both nucleation kinetics and steady-state properties of a supersaturated vapor. The idea behind the new approach is to simulate the production of clusters up to a given size for a specified supersaturation. The classical nucleation theory is found to overestimate the free energy of cluster formation and deviate by two orders of magnitude from the nucleation rate below the triple point at high supersaturations.

  15. The canonical partial metric and the uniform convexity on normed spaces

    Directory of Open Access Journals (Sweden)

    S. Oltra

    2005-10-01

    Full Text Available In this paper we introduce the notion of canonical partial metric associated to a norm to study geometric properties of normed spaces. In particular, we characterize strict convexity and uniform convexity of normed spaces in terms of the canonical partial metric defined by its norm. We prove that these geometric properties can be considered, in this sense, as topological properties that appear when we compare the natural metric topology of the space with the non translation invariant topology induced by the canonical partial metric in the normed space.

  16. Canonical correlation analysis of course and teacher evaluation

    DEFF Research Database (Denmark)

    Sliusarenko, Tamara; Ersbøll, Bjarne Kjær

    2010-01-01

    At the Technical University of Denmark course evaluations are performed by the students on a questionnaire. On one form the students are asked specific questions regarding the course. On a second form they are asked specific questions about the teacher. This study investigates the extent to which...... information obtained from the course evaluation form overlaps with information obtained from the teacher evaluation form. Employing canonical correlation analysis it was found that course and teacher evaluations are correlated. However, the structure of the canonical correlation is subject to change...

  17. Clifford Algebras and Spinorial Representation of Linear Canonical Transformations in Quantum Theory

    International Nuclear Information System (INIS)

    Raoelina Andriambololona; Ranaivoson, R.T.R.; Rakotoson, H.

    2017-11-01

    This work is a continuation of previous works that we have done concerning linear canonical transformations and a phase space representation of quantum theory. It is mainly focused on the description of an approach which permits to establish spinorial representation of linear canonical transformations. It begins with an introduction section in which the reason and context of the content are discussed. The introduction section is followed by a brief recall about Clifford algebra and spin group. The description of the approach is started with the presentation of an adequate parameterization of linear canonical transformations which permits to represent them with special pseudo-orthogonal transformations in an operators space. The establishment of the spinorial representation is deduced using relation between special pseudo-orthogonal groups and spin groups. The cases of one dimension quantum mechanics and general multidimensional theory are both studied. The case of linear canonical transformation related to Minkowski space is particularly studied and it is shown that Lorentz transformation may be considered as particular case of linear canonical transformation. Some results from the spinorial representation are also exploited to define operators which may be used to establish equations for fields if one considers the possibility of envisaging a field theory which admits as main symmetry group the group constituted by linear canonical transformations.

  18. Grand-design Spiral Arms in a Young Forming Circumstellar Disk

    Energy Technology Data Exchange (ETDEWEB)

    Tomida, Kengo; Lin, Chia Hui [Department of Earth and Space Science, Osaka University, Toyonaka, Osaka 560-0043 (Japan); Machida, Masahiro N. [Department of Earth and Planetary Sciences, Faculty of Sciences, Kyushu University, Nishi-ku, Fukuoka 819-0395 (Japan); Hosokawa, Takashi [Department of Physics, Kyoto University, Sakyo-ku, Kyoto 606-8502 (Japan); Sakurai, Yuya, E-mail: tomida@vega.ess.sci.osaka-u.ac.jp [Department of Physics, The University of Tokyo, Tokyo 113-0033 (Japan)

    2017-01-20

    We study formation and long-term evolution of a circumstellar disk in a collapsing molecular cloud core using a resistive magnetohydrodynamic simulation. While the formed circumstellar disk is initially small, it grows as accretion continues, and its radius becomes as large as 200 au toward the end of the Class-I phase. A pair of grand-design spiral arms form due to gravitational instability in the disk, and they transfer angular momentum in the highly resistive disk. Although the spiral arms disappear in a few rotations as expected in a classical theory, new spiral arms form recurrently as the disk, soon becoming unstable again by gas accretion. Such recurrent spiral arms persist throughout the Class-0 and I phases. We then perform synthetic observations and compare our model with a recent high-resolution observation of a young stellar object Elias 2–27, whose circumstellar disk has grand-design spiral arms. We find good agreement between our theoretical model and the observation. Our model suggests that the grand-design spiral arms around Elias 2–27 are consistent with material arms formed by gravitational instability. If such spiral arms commonly exist in young circumstellar disks, it implies that young circumstellar disks are considerably massive and gravitational instability is the key process of angular momentum transport.

  19. Grand-design Spiral Arms in a Young Forming Circumstellar Disk

    International Nuclear Information System (INIS)

    Tomida, Kengo; Lin, Chia Hui; Machida, Masahiro N.; Hosokawa, Takashi; Sakurai, Yuya

    2017-01-01

    We study formation and long-term evolution of a circumstellar disk in a collapsing molecular cloud core using a resistive magnetohydrodynamic simulation. While the formed circumstellar disk is initially small, it grows as accretion continues, and its radius becomes as large as 200 au toward the end of the Class-I phase. A pair of grand-design spiral arms form due to gravitational instability in the disk, and they transfer angular momentum in the highly resistive disk. Although the spiral arms disappear in a few rotations as expected in a classical theory, new spiral arms form recurrently as the disk, soon becoming unstable again by gas accretion. Such recurrent spiral arms persist throughout the Class-0 and I phases. We then perform synthetic observations and compare our model with a recent high-resolution observation of a young stellar object Elias 2–27, whose circumstellar disk has grand-design spiral arms. We find good agreement between our theoretical model and the observation. Our model suggests that the grand-design spiral arms around Elias 2–27 are consistent with material arms formed by gravitational instability. If such spiral arms commonly exist in young circumstellar disks, it implies that young circumstellar disks are considerably massive and gravitational instability is the key process of angular momentum transport.

  20. Tyrosine phosphorylation and proteolytic cleavage of Notch are required for non-canonical Notch/Abl signaling in Drosophila axon guidance.

    Science.gov (United States)

    Kannan, Ramakrishnan; Cox, Eric; Wang, Lei; Kuzina, Irina; Gu, Qun; Giniger, Edward

    2018-01-17

    Notch signaling is required for the development and physiology of nearly every tissue in metazoans. Much of Notch signaling is mediated by transcriptional regulation of downstream target genes, but Notch controls axon patterning in Drosophila by local modulation of Abl tyrosine kinase signaling, via direct interactions with the Abl co-factors Disabled and Trio. Here, we show that Notch-Abl axonal signaling requires both of the proteolytic cleavage events that initiate canonical Notch signaling. We further show that some Notch protein is tyrosine phosphorylated in Drosophila , that this form of the protein is selectively associated with Disabled and Trio, and that relevant tyrosines are essential for Notch-dependent axon patterning but not for canonical Notch-dependent regulation of cell fate. Based on these data, we propose a model for the molecular mechanism by which Notch controls Abl signaling in Drosophila axons. © 2018. Published by The Company of Biologists Ltd.

  1. Kuidas Canon suureks kasvas / Andres Eilart

    Index Scriptorium Estoniae

    Eilart, Andres

    2004-01-01

    Jaapani kaamerate ja büroomasinate tootja Canon Groupi arengust, tegevusest kolmes regioonis - USA-s, Euroopas ja Aasias ning ettevõtte pikaajalise edu põhjustest - ärifilosoofiast ning ajastatud tootearendusest. Vt. samas: Firma esialgne nimi oli Kwanon; Konkurendid koonduvad

  2. Phase coexistence properties of polarizable Stockmayer fluids

    International Nuclear Information System (INIS)

    Kiyohara, K.; Gubbins, K.E.; Panagiotopoulos, A.Z.

    1997-01-01

    We report the phase coexistence properties of polarizable Stockmayer fluids of reduced permanent dipoles |m 0 * |= 1.0 and 2.0 and reduced polarizabilities α * = 0.00, 0.03, and 0.06, calculated by a series of grand canonical Monte Carlo simulations with the histogram reweighting method. In the histogram reweighting method, the distributions of density and energy calculated in Grand Canonical Monte Carlo simulations are stored in histograms and analyzed to construct the grand canonical partition function of the system. All thermodynamic properties are calculated from the grand partition function. The results are compared with Wertheim close-quote s renormalization perturbation theory. Deviations between theory and simulation results for the coexistence envelope are near 2% for the lower dipole moment and 10% for the higher dipole moment we studied. copyright 1997 American Institute of Physics

  3. Non-Canonical Cell Death Induced by p53

    Directory of Open Access Journals (Sweden)

    Atul Ranjan

    2016-12-01

    Full Text Available Programmed cell death is a vital biological process for multicellular organisms to maintain cellular homeostasis, which is regulated in a complex manner. Over the past several years, apart from apoptosis, which is the principal mechanism of caspase-dependent cell death, research on non-apoptotic forms of programmed cell death has gained momentum. p53 is a well characterized tumor suppressor that controls cell proliferation and apoptosis and has also been linked to non-apoptotic, non-canonical cell death mechanisms. p53 impacts these non-canonical forms of cell death through transcriptional regulation of its downstream targets, as well as direct interactions with key players involved in these mechanisms, in a cell type- or tissue context-dependent manner. In this review article, we summarize and discuss the involvement of p53 in several non-canonical modes of cell death, including caspase-independent apoptosis (CIA, ferroptosis, necroptosis, autophagic cell death, mitotic catastrophe, paraptosis, and pyroptosis, as well as its role in efferocytosis which is the process of clearing dead or dying cells.

  4. On the relationship between modifications to the Raychaudhuri equation and the canonical Hamiltonian structures

    International Nuclear Information System (INIS)

    Singh, Parampreet; Soni, S K

    2016-01-01

    The problem of obtaining canonical Hamiltonian structures from the equations of motion, without any knowledge of the action, is studied in the context of the spatially flat Friedmann, ‘Robertson’, and Walker models. Modifications to the Raychaudhuri equation are implemented independently as quadratic and cubic terms of energy density without introducing additional degrees of freedom. Depending on their sign, modifications make gravity repulsive above a curvature scale for matter satisfying strong energy conditions, or more attractive than in the classical theory. The canonical structure of the modified theories is determined by demanding that the total Hamiltonian be a linear combination of gravity and matter Hamiltonians. In the quadratic repulsive case, the modified canonical phase space of gravity is a polymerized phase space with canonical momentum as inverse a trigonometric function of the Hubble rate; the canonical Hamiltonian can be identified with the effective Hamiltonian in loop quantum cosmology. The repulsive cubic modification results in a ‘generalized polymerized’ canonical phase space. Both the repulsive modifications are found to yield singularity avoidance. In contrast, the quadratic and cubic attractive modifications result in a canonical phase space in which canonical momentum is nontrigonometric and singularities persist. Our results hint at connections between the repulsive/attractive nature of modifications to gravity arising from the gravitational sector and polymerized/non polymerized gravitational phase space. (paper)

  5. Base pair probability estimates improve the prediction accuracy of RNA non-canonical base pairs.

    Directory of Open Access Journals (Sweden)

    Michael F Sloma

    2017-11-01

    Full Text Available Prediction of RNA tertiary structure from sequence is an important problem, but generating accurate structure models for even short sequences remains difficult. Predictions of RNA tertiary structure tend to be least accurate in loop regions, where non-canonical pairs are important for determining the details of structure. Non-canonical pairs can be predicted using a knowledge-based model of structure that scores nucleotide cyclic motifs, or NCMs. In this work, a partition function algorithm is introduced that allows the estimation of base pairing probabilities for both canonical and non-canonical interactions. Pairs that are predicted to be probable are more likely to be found in the true structure than pairs of lower probability. Pair probability estimates can be further improved by predicting the structure conserved across multiple homologous sequences using the TurboFold algorithm. These pairing probabilities, used in concert with prior knowledge of the canonical secondary structure, allow accurate inference of non-canonical pairs, an important step towards accurate prediction of the full tertiary structure. Software to predict non-canonical base pairs and pairing probabilities is now provided as part of the RNAstructure software package.

  6. Base pair probability estimates improve the prediction accuracy of RNA non-canonical base pairs.

    Science.gov (United States)

    Sloma, Michael F; Mathews, David H

    2017-11-01

    Prediction of RNA tertiary structure from sequence is an important problem, but generating accurate structure models for even short sequences remains difficult. Predictions of RNA tertiary structure tend to be least accurate in loop regions, where non-canonical pairs are important for determining the details of structure. Non-canonical pairs can be predicted using a knowledge-based model of structure that scores nucleotide cyclic motifs, or NCMs. In this work, a partition function algorithm is introduced that allows the estimation of base pairing probabilities for both canonical and non-canonical interactions. Pairs that are predicted to be probable are more likely to be found in the true structure than pairs of lower probability. Pair probability estimates can be further improved by predicting the structure conserved across multiple homologous sequences using the TurboFold algorithm. These pairing probabilities, used in concert with prior knowledge of the canonical secondary structure, allow accurate inference of non-canonical pairs, an important step towards accurate prediction of the full tertiary structure. Software to predict non-canonical base pairs and pairing probabilities is now provided as part of the RNAstructure software package.

  7. Management of pediatric radiation dose using Canon digital radiography

    International Nuclear Information System (INIS)

    Arreola, M.; Rill, L.

    2004-01-01

    A Canon CXDI-11 digital radiography (DR) system has been in use at Shands Hospital at the University of Florida for the past 2 1/2 years. A first clinical implementation phase was utilized to develop imaging protocols for adult patients, with a second phase incorporating pediatric chest and abdominal studies a few months later. This paper describes some of the steps taken during the modality implementation stages, as well as the methodologies and procedures utilized to monitor compliance by the technologists. The Canon DR system provides the technologist with an indication of the radiation exposure received by the detector (and thus of the patient dose) by means of an indirect exposure level number called the reached exposure (REX) value. The REX value is calculated by the system based on the default grayscale curve preselected for a given anatomical view and used by the system to optimize the appearance of the image. The brightness and contrast of the image can be modified by the user at the QC/control screen for the purpose of improving the appearance of the image. Such changes modify the actual grayscale curve (position and slope, respectively) and thus the calculated REX value. Thus, undisciplined use of the brightness and contrast functions by the technologist can render the REX value meaningless as an exposure indicator. The paper also shows how it is possible to calibrate AEC (phototimer) systems for use with the Canon DR system, and utilize the REX value as a valuable dose indicator through proper training of technologists and strict, disciplined QC of studies. A team consisting of the site's medical physicist, radiologists, and technologists, as well as Canon engineers, can work together in properly calibrating and setting up the system for the purposes of monitoring patient doses (especially pediatric) in DR studies performed in a Canon DR system. (orig.)

  8. Statistical ensembles and molecular dynamics studies of anisotropic solids. II

    International Nuclear Information System (INIS)

    Ray, J.R.; Rahman, A.

    1985-01-01

    We have recently discussed how the Parrinello--Rahman theory can be brought into accord with the theory of the elastic and thermodynamic behavior of anisotropic media. This involves the isoenthalpic--isotension ensemble of statistical mechanics. Nose has developed a canonical ensemble form of molecular dynamics. We combine Nose's ideas with the Parrinello--Rahman theory to obtain a canonical form of molecular dynamics appropriate to the study of anisotropic media subjected to arbitrary external stress. We employ this isothermal--isotension ensemble in a study of a fcc→ close-packed structural phase transformation in a Lennard-Jones solid subjected to uniaxial compression. Our interpretation of the Nose theory does not involve a scaling of the time variable. This latter fact leads to simplifications when studying the time dependence of quantities

  9. Canonical and Non-Canonical Aspects of JAK-STAT Signaling: Lessons from Interferons for Cytokine Responses.

    Science.gov (United States)

    Majoros, Andrea; Platanitis, Ekaterini; Kernbauer-Hölzl, Elisabeth; Rosebrock, Felix; Müller, Mathias; Decker, Thomas

    2017-01-01

    Janus kinase (JAK)-signal transducer and activator of transcription (STAT) signal transduction mediates cytokine responses. Canonical signaling is based on STAT tyrosine phosphorylation by activated JAKs. Downstream of interferon (IFN) receptors, activated JAKs cause the formation of the transcription factors IFN-stimulated gene factor 3 (ISGF3), a heterotrimer of STAT1, STAT2 and interferon regulatory factor 9 (IRF9) subunits, and gamma interferon-activated factor (GAF), a STAT1 homodimer. In recent years, several deviations from this paradigm were reported. These include kinase-independent JAK functions as well as extra- and intranuclear activities of U-STATs without phosphotyrosines. Additionally, transcriptional control by STAT complexes resembling neither GAF nor ISGF3 contributes to transcriptome changes in IFN-treated cells. Our review summarizes the contribution of non-canonical JAK-STAT signaling to the innate antimicrobial immunity imparted by IFN. Moreover, we touch upon functions of IFN pathway proteins beyond the IFN response. These include metabolic functions of IRF9 as well as the regulation of natural killer cell activity by kinase-dead TYK2 and different phosphorylation isoforms of STAT1.

  10. Using Canonical Forms for Isomorphism Reduction in Graph-based Model Checking

    NARCIS (Netherlands)

    Kant, Gijs

    Graph isomorphism checking can be used in graph-based model checking to achieve symmetry reduction. Instead of one-to-one comparing the graph representations of states, canonical forms of state graphs can be computed. These canonical forms can be used to store and compare states. However, computing

  11. Conformal constraint in canonical quantum gravity

    NARCIS (Netherlands)

    t Hooft, G.

    2010-01-01

    Perturbative canonical quantum gravity is considered, when coupled to a renormalizable model for matter fields. It is proposed that the functional integral over the dilaton field should be disentangled from the other integrations over the metric fields. This should generate a conformally invariant

  12. Normalization as a canonical neural computation

    Science.gov (United States)

    Carandini, Matteo; Heeger, David J.

    2012-01-01

    There is increasing evidence that the brain relies on a set of canonical neural computations, repeating them across brain regions and modalities to apply similar operations to different problems. A promising candidate for such a computation is normalization, in which the responses of neurons are divided by a common factor that typically includes the summed activity of a pool of neurons. Normalization was developed to explain responses in the primary visual cortex and is now thought to operate throughout the visual system, and in many other sensory modalities and brain regions. Normalization may underlie operations such as the representation of odours, the modulatory effects of visual attention, the encoding of value and the integration of multisensory information. Its presence in such a diversity of neural systems in multiple species, from invertebrates to mammals, suggests that it serves as a canonical neural computation. PMID:22108672

  13. Molecular analysis of the iap gene of Listeria monocytogenes isolated from cheeses in Rio Grande do Sul, Brazil Análise molecular do gene iap de Listeria monocytogenes isoladas de queijos no Estado do Rio Grande do Sul, Brasil

    Directory of Open Access Journals (Sweden)

    Jozi Fagundes de Mello

    2008-03-01

    Full Text Available The polymorphic region sequences in the iap gene were analyzed in 25 strains of Listeria monocytogenes isolated from cheeses in the state of Rio Grande do Sul, and compared with reference strains. This investigation distinguished two clusters of L. monocytogenes: I (20 strains and II (5 strains.A seqüência da região polimórfica do gene iap foi analisada em 25 cepas de Listeria monocytogenes isoladas de queijo no Estado do Rio Grande do Sul e comparadas com cepas referências. Esta investigação distinguiu L. monocytogenes em dois grupos: I (20 cepas e II (5 cepas.

  14. Conditions for equivalence of statistical ensembles in nuclear multifragmentation

    International Nuclear Information System (INIS)

    Mallik, Swagata; Chaudhuri, Gargi

    2012-01-01

    Statistical models based on canonical and grand canonical ensembles are extensively used to study intermediate energy heavy-ion collisions. The underlying physical assumption behind canonical and grand canonical models is fundamentally different, and in principle agree only in the thermodynamical limit when the number of particles become infinite. Nevertheless, we show that these models are equivalent in the sense that they predict similar results if certain conditions are met even for finite nuclei. In particular, the results converge when nuclear multifragmentation leads to the formation of predominantly nucleons and low mass clusters. The conditions under which the equivalence holds are amenable to present day experiments.

  15. Tilting the balance between canonical and noncanonical conformations for the H1 hypervariable loop of a llama VHH through point mutations.

    Science.gov (United States)

    Mahajan, Sai Pooja; Velez-Vega, Camilo; Escobedo, Fernando A

    2013-01-10

    Nanobodies are single-domain antibodies found in camelids. These are the smallest naturally occurring binding domains and derive functionality via three hypervariable loops (H1-H3) that form the binding surface. They are excellent candidates for antibody engineering because of their favorable characteristics like small size, high solubility, and stability. To rationally engineer antibodies with affinity for a specific target, the hypervariable loops can be tailored to obtain the desired binding surface. As a first step toward such a goal, we consider the design of loops with a desired conformation. In this study, we focus on the H1 loop of the anti-hCG llama nanobody that exhibits a noncanonical conformation. We aim to "tilt" the stability of the H1 loop structure from a noncanonical conformation to a (humanized) type 1 canonical conformation by studying the effect of selected mutations to the amino acid sequence of the H1, H2, and proximal residues. We use all-atomistic, explicit-solvent, biased molecular dynamic simulations to simulate the wild-type and mutant loops in a prefolded framework. We thus find mutants with increasing propensity to form a stable type 1 canonical conformation of the H1 loop. Free energy landscapes reveal the existence of conformational isomers of the canonical conformation that may play a role in binding different antigenic surfaces. We also elucidate the approximate mechanism and kinetics of transitions between such conformational isomers by using a Markovian model. We find that a particular three-point mutant has the strongest thermodynamic propensity to form the H1 type 1 canonical structure but also to exhibit transitions between conformational isomers, while a different, more rigid three-point mutant has the strongest propensity to be kinetically trapped in such a canonical structure.

  16. An evaluation of canonical forms for non-rigid 3D shape retrieval

    OpenAIRE

    Pickup, David; Liu, Juncheng; Sun, Xianfang; Rosin, Paul L.; Martin, Ralph R.; Cheng, Zhiquan; Lian, Zhouhui; Nie, Sipin; Jin, Longcun; Shamai, Gil; Sahillioğlu, Yusuf; Kavan, Ladislav

    2018-01-01

    Canonical forms attempt to factor out a non-rigid shape’s pose, giving a pose-neutral shape. This opens up the\\ud possibility of using methods originally designed for rigid shape retrieval for the task of non-rigid shape retrieval.\\ud We extend our recent benchmark for testing canonical form algorithms. Our new benchmark is used to evaluate a\\ud greater number of state-of-the-art canonical forms, on five recent non-rigid retrieval datasets, within two different\\ud retrieval frameworks. A tota...

  17. Canonical analysis based on mutual information

    DEFF Research Database (Denmark)

    Nielsen, Allan Aasbjerg; Vestergaard, Jacob Schack

    2015-01-01

    combinations with the information theoretical measure mutual information (MI). We term this type of analysis canonical information analysis (CIA). MI allows for the actual joint distribution of the variables involved and not just second order statistics. While CCA is ideal for Gaussian data, CIA facilitates...

  18. Canonical quantum theory of gravitational field with higher derivatives, 3

    International Nuclear Information System (INIS)

    Kawasaki, Shoichiro; Kimura, Tadahiko

    1983-01-01

    A formulation which is invariant under an additional BRS transformation with nilpotency of order two is presented for the canonical theory of the renormalizable quantum gravity with higher derivatives. The canonical quantization is carried out and various equal time (anti-) commutation relations are derived. The asymptotic fields are reanalyzed. The physical particle contents are just the same as those obtained in previous papers. (author)

  19. Canonical algorithms for numerical integration of charged particle motion equations

    Science.gov (United States)

    Efimov, I. N.; Morozov, E. A.; Morozova, A. R.

    2017-02-01

    A technique for numerically integrating the equation of charged particle motion in a magnetic field is considered. It is based on the canonical transformations of the phase space in Hamiltonian mechanics. The canonical transformations make the integration process stable against counting error accumulation. The integration algorithms contain a minimum possible amount of arithmetics and can be used to design accelerators and devices of electron and ion optics.

  20. Canonical Entropy and Phase Transition of Rotating Black Hole

    International Nuclear Information System (INIS)

    Ren, Zhao; Yue-Qin, Wu; Li-Chun, Zhang

    2008-01-01

    Recently, the Hawking radiation of a black hole has been studied using the tunnel effect method. The radiation spectrum of a black hole is derived. By discussing the correction to spectrum of the rotating black hole, we obtain the canonical entropy. The derived canonical entropy is equal to the sum of Bekenstein–Hawking entropy and correction term. The correction term near the critical point is different from the one near others. This difference plays an important role in studying the phase transition of the black hole. The black hole thermal capacity diverges at the critical point. However, the canonical entropy is not a complex number at this point. Thus we think that the phase transition created by this critical point is the second order phase transition. The discussed black hole is a five-dimensional Kerr-AdS black hole. We provide a basis for discussing thermodynamic properties of a higher-dimensional rotating black hole. (general)

  1. QCD phase transition at real chemical potential with canonical approach

    Energy Technology Data Exchange (ETDEWEB)

    Nakamura, Atsushi [RCNP, Osaka University,Osaka, 567-0047 (Japan); Nishina Center, RIKEN,Wako, Saitama 351-0198 (Japan); School of Biomedicine, Far Eastern Federal University,Vladivostok, 690950 (Russian Federation); Oka, Shotaro [Institute of Theoretical Physics, Department of Physics, Rikkyo University,Toshima-ku, Tokyo 171-8501 (Japan); Taniguchi, Yusuke [Graduate School of Pure and Applied Sciences, University of Tsukuba,Tsukuba, Ibaraki 305-8571 (Japan)

    2016-02-08

    We study the finite density phase transition in the lattice QCD at real chemical potential. We adopt a canonical approach and the canonical partition function is constructed for N{sub f}=2 QCD. After derivation of the canonical partition function we calculate observables like the pressure, the quark number density, its second cumulant and the chiral condensate as a function of the real chemical potential. We covered a wide range of temperature region starting from the confining low to the deconfining high temperature; 0.65T{sub c}≤T≤3.62T{sub c}. We observe a possible signal of the deconfinement and the chiral restoration phase transition at real chemical potential below T{sub c} starting from the confining phase. We give also the convergence range of the fugacity expansion.

  2. A canonical theory of dynamic decision-making

    Directory of Open Access Journals (Sweden)

    John eFox

    2013-04-01

    Full Text Available Decision-making behaviour is studied in many very different fields, from medicine and economics to psychology and neuroscience, with major contributions from mathematics and statistics, computer science, AI and other technical disciplines. However the conceptualisation of what decision-making is and methods for studying it vary greatly and this has resulted in fragmentation of the field. A theory that can accommodate various perspectives may facilitate interdisciplinary working. We present such a theory in which decision-making is articulated as a set of canonical functions that are sufficiently general to accommodate diverse viewpoints, yet sufficiently precise that they can be instantiated in different ways for specific theoretical or practical purposes. The canons cover the whole decision cycle, from the framing of a decision based on the goals, beliefs, and background knowledge of the decision maker to the formulation of decision options, establishing preferences over them, and making commitments. Commitments can lead to the initiation of new decisions and any step in the cycle can incorporate reasoning about previous decisions and the rationales for them, and lead to revising or abandoning existing commitments. The theory situates decision making with respect to other high-level cognitive capabilities like problem-solving, planning and collaborative decision-making. The canonical approach is assessed in three domains: cognitive and neuro-psychology, artificial intelligence, and decision engineering.

  3. A Canonical Theory of Dynamic Decision-Making

    Science.gov (United States)

    Fox, John; Cooper, Richard P.; Glasspool, David W.

    2012-01-01

    Decision-making behavior is studied in many very different fields, from medicine and economics to psychology and neuroscience, with major contributions from mathematics and statistics, computer science, AI, and other technical disciplines. However the conceptualization of what decision-making is and methods for studying it vary greatly and this has resulted in fragmentation of the field. A theory that can accommodate various perspectives may facilitate interdisciplinary working. We present such a theory in which decision-making is articulated as a set of canonical functions that are sufficiently general to accommodate diverse viewpoints, yet sufficiently precise that they can be instantiated in different ways for specific theoretical or practical purposes. The canons cover the whole decision cycle, from the framing of a decision based on the goals, beliefs, and background knowledge of the decision-maker to the formulation of decision options, establishing preferences over them, and making commitments. Commitments can lead to the initiation of new decisions and any step in the cycle can incorporate reasoning about previous decisions and the rationales for them, and lead to revising or abandoning existing commitments. The theory situates decision-making with respect to other high-level cognitive capabilities like problem solving, planning, and collaborative decision-making. The canonical approach is assessed in three domains: cognitive and neuropsychology, artificial intelligence, and decision engineering. PMID:23565100

  4. The influence of canon law on ius commune in its formative period

    Directory of Open Access Journals (Sweden)

    Mehmeti Sami

    2015-12-01

    Full Text Available In the Medieval period, Roman law and canon law formed ius commune or the common European law. The similarity between Roman and canon law was that they used the same methods and the difference was that they relied on different authoritative texts. In their works canonists and civilists combined the ancient Greek achievements in philosophy with the Roman achievements in the field of law. Canonists were the first who carried out research on the distinctions between various legal sources and systematized them according to a hierarchical order. The Medieval civilists sought solutions in canon law for a large number of problems that Justinian’s Codification did not hinge on or did it only superficially. Solutions offered by canon law were accepted not only in the civil law of Continental Europe, but also in the English law.

  5. Formulation of nonlinear chromaticity in circular accelerators by canonical perturbation method

    International Nuclear Information System (INIS)

    Takao, Masaru

    2005-01-01

    The formulation of nonlinear chromaticity in circular accelerators based on the canonical perturbation method is presented. Since the canonical perturbation method directly relates the tune shift to the perturbation Hamiltonian, it greatly simplifies the calculation of the nonlinear chromaticity. The obtained integral representation for nonlinear chromaticity can be systematically extended to higher orders

  6. Fast numerical algorithm for the linear canonical transform.

    Science.gov (United States)

    Hennelly, Bryan M; Sheridan, John T

    2005-05-01

    The linear canonical transform (LCT) describes the effect of any quadratic phase system (QPS) on an input optical wave field. Special cases of the LCT include the fractional Fourier transform (FRT), the Fourier transform (FT), and the Fresnel transform (FST) describing free-space propagation. Currently there are numerous efficient algorithms used (for purposes of numerical simulation in the area of optical signal processing) to calculate the discrete FT, FRT, and FST. All of these algorithms are based on the use of the fast Fourier transform (FFT). In this paper we develop theory for the discrete linear canonical transform (DLCT), which is to the LCT what the discrete Fourier transform (DFT) is to the FT. We then derive the fast linear canonical transform (FLCT), an N log N algorithm for its numerical implementation by an approach similar to that used in deriving the FFT from the DFT. Our algorithm is significantly different from the FFT, is based purely on the properties of the LCT, and can be used for FFT, FRT, and FST calculations and, in the most general case, for the rapid calculation of the effect of any QPS.

  7. Methods of Weyl representation of the phase space and canonical transformations. 1

    International Nuclear Information System (INIS)

    Budanov, V.G.

    1984-01-01

    The kernel structure of canonical transformation and differential equation for the intertwining operator is found. The Weyl symbol of operators producing linear canonical transformations is associated with the Cayley transformation of classical canonical transformation. Due to the invariance of the Weyl formalism a complete study of singularity and factorization of these symbols is manageable. In particular, one can study the symbols of Green functions and elements of Lie groups and find the spectra of arbitrary stationary quadratic Hamiltonians with the help of the known classification of the spectra of classical systems

  8. A Nonlinear GMRES Optimization Algorithm for Canonical Tensor Decomposition

    OpenAIRE

    De Sterck, Hans

    2011-01-01

    A new algorithm is presented for computing a canonical rank-R tensor approximation that has minimal distance to a given tensor in the Frobenius norm, where the canonical rank-R tensor consists of the sum of R rank-one components. Each iteration of the method consists of three steps. In the first step, a tentative new iterate is generated by a stand-alone one-step process, for which we use alternating least squares (ALS). In the second step, an accelerated iterate is generated by a nonlinear g...

  9. Canonical trivialization of gravitational gradients

    International Nuclear Information System (INIS)

    Niedermaier, Max

    2017-01-01

    A one-parameter family of canonical transformations is constructed that reduces the Hamiltonian form of the Einstein–Hilbert action to its strong coupling limit where dynamical spatial gradients are absent. The parameter can alternatively be viewed as the overall scale of the spatial metric or as a fractional inverse power of Newton’s constant. The generating function of the canonical transformation is constructed iteratively as a powerseries in the parameter to all orders. The algorithm draws on Lie–Deprit transformation theory and defines a ‘trivialization map’ with several bonus properties: (i) Trivialization of the Hamiltonian constraint implies that of the action while the diffeomorphism constraint is automatically co-transformed. (ii) Only a set of ordinary differential equations needs to be solved to drive the iteration via a homological equation where no gauge fixing is required. (iii) In contrast to (the classical limit of) a Lagrangian trivialization map the algorithm also produces series solutions of the field equations. (iv) In the strong coupling theory temporal gauge variations are abelian, nevertheless the map intertwines with the respective gauge symmetries on the action, the field equations, and their solutions. (paper)

  10. Canonical trivialization of gravitational gradients

    Science.gov (United States)

    Niedermaier, Max

    2017-06-01

    A one-parameter family of canonical transformations is constructed that reduces the Hamiltonian form of the Einstein-Hilbert action to its strong coupling limit where dynamical spatial gradients are absent. The parameter can alternatively be viewed as the overall scale of the spatial metric or as a fractional inverse power of Newton’s constant. The generating function of the canonical transformation is constructed iteratively as a powerseries in the parameter to all orders. The algorithm draws on Lie-Deprit transformation theory and defines a ‘trivialization map’ with several bonus properties: (i) Trivialization of the Hamiltonian constraint implies that of the action while the diffeomorphism constraint is automatically co-transformed. (ii) Only a set of ordinary differential equations needs to be solved to drive the iteration via a homological equation where no gauge fixing is required. (iii) In contrast to (the classical limit of) a Lagrangian trivialization map the algorithm also produces series solutions of the field equations. (iv) In the strong coupling theory temporal gauge variations are abelian, nevertheless the map intertwines with the respective gauge symmetries on the action, the field equations, and their solutions.

  11. Wnt3a regulates proliferation and migration of HUVEC via canonical and non-canonical Wnt signaling pathways

    International Nuclear Information System (INIS)

    Samarzija, Ivana; Sini, Patrizia; Schlange, Thomas; MacDonald, Gwen; Hynes, Nancy E.

    2009-01-01

    Untangling the signaling pathways involved in endothelial cell biology is of central interest for the development of antiangiogenesis based therapies. Here we report that Wnt3a induces the proliferation and migration of HUVECs, but does not affect their survival. Wnt3a-induced proliferation was VEGFR signaling independent, but reduced upon CamKII inhibition. In a search for the downstream mediators of Wnt3a's effects on HUVEC biology, we found that Wnt3a treatment leads to phosphorylation of DVL3 and stabilization of β-catenin. Moreover, under the same conditions we observed an upregulation in c-MYC, TIE-2 and GJA1 mRNA transcripts. Although treatment of HUVECs with Wnt5a induced DVL3 phosphorylation, we did not observe any of the other effects seen upon Wnt3a stimulation. Taken together, our data indicate that Wnt3a induces canonical and non-canonical Wnt signaling in HUVECs, and stimulates their proliferation and migration.

  12. Extending canonical Monte Carlo methods

    International Nuclear Information System (INIS)

    Velazquez, L; Curilef, S

    2010-01-01

    In this paper, we discuss the implications of a recently obtained equilibrium fluctuation-dissipation relation for the extension of the available Monte Carlo methods on the basis of the consideration of the Gibbs canonical ensemble to account for the existence of an anomalous regime with negative heat capacities C α with α≈0.2 for the particular case of the 2D ten-state Potts model

  13. Canonical group quantization and boundary conditions

    International Nuclear Information System (INIS)

    Jung, Florian

    2012-01-01

    In the present thesis, we study quantization of classical systems with non-trivial phase spaces using the group-theoretical quantization technique proposed by Isham. Our main goal is a better understanding of global and topological aspects of quantum theory. In practice, the group-theoretical approach enables direct quantization of systems subject to constraints and boundary conditions in a natural and physically transparent manner -- cases for which the canonical quantization method of Dirac fails. First, we provide a clarification of the quantization formalism. In contrast to prior treatments, we introduce a sharp distinction between the two group structures that are involved and explain their physical meaning. The benefit is a consistent and conceptually much clearer construction of the Canonical Group. In particular, we shed light upon the 'pathological' case for which the Canonical Group must be defined via a central Lie algebra extension and emphasise the role of the central extension in general. In addition, we study direct quantization of a particle restricted to a half-line with 'hard wall' boundary condition. Despite the apparent simplicity of this example, we show that a naive quantization attempt based on the cotangent bundle over the half-line as classical phase space leads to an incomplete quantum theory; the reflection which is a characteristic aspect of the 'hard wall' is not reproduced. Instead, we propose a different phase space that realises the necessary boundary condition as a topological feature and demonstrate that quantization yields a suitable quantum theory for the half-line model. The insights gained in the present special case improve our understanding of the relation between classical and quantum theory and illustrate how contact interactions may be incorporated.

  14. Towards a conceptual history of canonization in totalitarian societies

    DEFF Research Database (Denmark)

    Postoutenko, Kirill

    2016-01-01

    a reference to his slogans and speeches. The article compares such a canonization in Soviet Union with parallel processes in Nazi Germany (where Adolf Hitler and his texts are revered to a much lesser degree) and United States of America (where this development is missing altogether despite Franklin D....... Roosevelt unprecedented media exposure). It turns out that Stalin’s discursive canonization has multiple reasons including his reliance on rigid radial networks of power and communication (as opposed to rotation of political and social roles in democracies), his interactional detachment from listeners and...

  15. Canonical representations of the Lie superalgebra osp(1,4)

    International Nuclear Information System (INIS)

    Blank, J.; Havlicek, M.; Lassner, W.; Bednar, M.

    1981-06-01

    The method for constructing infinite dimensional representations of Lie superalgebras proposed by the authors recently is applied to the superalgebra osp(1,4). Explicit formulae for its generators in terms of two or three pairs of operators fulfilling the canonical commutation relations, at most one pair of operators fulfilling the canonical anticommutation relations and at most one real parameter are obtained. The generators of the Lie subalgebra sp(4,IR) contains osp(1,4) are represented skew-symmetrically and both Casimir operators are equal to multiples of the unity operator. (author)

  16. Canonical and Non-Canonical Aspects of JAK–STAT Signaling: Lessons from Interferons for Cytokine Responses

    Science.gov (United States)

    Majoros, Andrea; Platanitis, Ekaterini; Kernbauer-Hölzl, Elisabeth; Rosebrock, Felix; Müller, Mathias; Decker, Thomas

    2017-01-01

    Janus kinase (JAK)–signal transducer and activator of transcription (STAT) signal transduction mediates cytokine responses. Canonical signaling is based on STAT tyrosine phosphorylation by activated JAKs. Downstream of interferon (IFN) receptors, activated JAKs cause the formation of the transcription factors IFN-stimulated gene factor 3 (ISGF3), a heterotrimer of STAT1, STAT2 and interferon regulatory factor 9 (IRF9) subunits, and gamma interferon-activated factor (GAF), a STAT1 homodimer. In recent years, several deviations from this paradigm were reported. These include kinase-independent JAK functions as well as extra- and intranuclear activities of U-STATs without phosphotyrosines. Additionally, transcriptional control by STAT complexes resembling neither GAF nor ISGF3 contributes to transcriptome changes in IFN-treated cells. Our review summarizes the contribution of non-canonical JAK–STAT signaling to the innate antimicrobial immunity imparted by IFN. Moreover, we touch upon functions of IFN pathway proteins beyond the IFN response. These include metabolic functions of IRF9 as well as the regulation of natural killer cell activity by kinase-dead TYK2 and different phosphorylation isoforms of STAT1. PMID:28184222

  17. Total reduplication in Japanese ideophones: An exercise in Localized Canonical Typology

    Directory of Open Access Journals (Sweden)

    Nahyun Kwon

    2017-05-01

    Full Text Available Cross-linguistically, reduplication associated with iconic readings, such as plurality, iteration, and continuation, is prevalent in ideophones. However, not all reduplicative processes in ideophones are clearly iconic. Notably, both less and more iconic uses of reduplication are encountered in ordinary vocabulary resulting in the overlapping semantic functions of reduplication between ideophonic and non-ideophonic (i.e., prosaic lexical categories. Given this, the aim of this paper is not to establish one clear-cut point to distinguish ideophonic reduplication from prosaic reduplication that may be impossible, but to specify dimensions of possibilities along which several instances of ideophonic and prosaic reduplication can be calibrated, using Canonical Typology (Corbett 2003; 2005; 2006; 2007; 2012; 2015. The current paper adopts the canonical approach of typology in an innovative way – not to compare a reduplicative phenomenon across languages (classic “typology”, but within a language by drawing ideophonic and prosaic data from Japanese, which is rich in reduplication and ideophones. Measuring the canonicity values of the various occurring types of ideophonic and prosaic reduplication against six criteria for canonical ideophonic reduplication, this paper shows how many and what criteria can differentiate the two sets of phenomena. Consequently, it reveals how ideophonic and prosaic reduplication are alike or different from each other. It also demonstrates the utility of Localized Canonical Typology, for the precise description and analysis of complex categories in a single language.

  18. An unconventional canonical quantization of local scalar fields over quantum space-time

    International Nuclear Information System (INIS)

    Banai, M.

    1985-12-01

    An unconventional extension of the canonical quantization method is presented for a classical local field theory. The proposed canonical commutation relations have a solution in the A-valued Hilbert space where A is the algebra of the bounded operators of the Hilbert space Lsup(2) (IRsup(3)). The canonical equations as operator equations are equivalent formally with the classical field equations, and are well defined for interacting systems, too. This model of quantized field lacks some of the difficulties of the conventional approach. Examples satisfying the asymptotic condition provide examples for Haag-Kastler's axioms, however, they satisfy Wightman's axioms only partially. (author)

  19. Linear response calculation using the canonical-basis TDHFB with a schematic pairing functional

    International Nuclear Information System (INIS)

    Ebata, Shuichiro; Nakatsukasa, Takashi; Yabana, Kazuhiro

    2011-01-01

    A canonical-basis formulation of the time-dependent Hartree-Fock-Bogoliubov (TDHFB) theory is obtained with an approximation that the pair potential is assumed to be diagonal in the time-dependent canonical basis. The canonical-basis formulation significantly reduces the computational cost. We apply the method to linear-response calculations for even-even nuclei. E1 strength distributions for proton-rich Mg isotopes are systematically calculated. The calculation suggests strong Landau damping of giant dipole resonance for drip-line nuclei.

  20. The linear canonical transformation : definition and properties

    NARCIS (Netherlands)

    Bastiaans, Martin J.; Alieva, Tatiana; Healy, J.J.; Kutay, M.A.; Ozaktas, H.M.; Sheridan, J.T.

    2016-01-01

    In this chapter we introduce the class of linear canonical transformations, which includes as particular cases the Fourier transformation (and its generalization: the fractional Fourier transformation), the Fresnel transformation, and magnifier, rotation and shearing operations. The basic properties

  1. Canonical Primal-Dual Method for Solving Non-convex Minimization Problems

    OpenAIRE

    Wu, Changzhi; Li, Chaojie; Gao, David Yang

    2012-01-01

    A new primal-dual algorithm is presented for solving a class of non-convex minimization problems. This algorithm is based on canonical duality theory such that the original non-convex minimization problem is first reformulated as a convex-concave saddle point optimization problem, which is then solved by a quadratically perturbed primal-dual method. %It is proved that the popular SDP method is indeed a special case of the canonical duality theory. Numerical examples are illustrated. Comparing...

  2. Canonical quantization of so-called non-Lagrangian systems

    Energy Technology Data Exchange (ETDEWEB)

    Gitman, D.M. [Universidade de Sao Paulo, Instituto de Fisica, Caixa Postal 66318-CEP, Sao Paulo, S.P. (Brazil); Kupriyanov, V.G. [Universidade de Sao Paulo, Instituto de Fisica, Caixa Postal 66318-CEP, Sao Paulo, S.P. (Brazil); Tomsk State University, Physics Department, Tomsk (Russian Federation)

    2007-04-15

    We present an approach to the canonical quantization of systems with equations of motion that are historically called non-Lagrangian equations. Our viewpoint of this problem is the following: despite the fact that a set of differential equations cannot be directly identified with a set of Euler-Lagrange equations, one can reformulate such a set in an equivalent first-order form that can always be treated as the Euler-Lagrange equations of a certain action. We construct such an action explicitly. It turns out that in the general case the hamiltonization and canonical quantization of such an action are non-trivial problems, since the theory involves time-dependent constraints. We adopt the general approach of hamiltonization and canonical quantization for such theories as described in D.M. Gitman, I.V. Tyutin, Quantization of Fields with Constraints (Springer, Berlin, 1990). to the case under consideration. There exists an ambiguity (that cannot be reduced to the addition of a total time derivative) in associating a Lagrange function with a given set of equations. We present a complete description of this ambiguity. The proposed scheme is applied to the quantization of a general quadratic theory. In addition, we consider the quantization of a damped oscillator and of a radiating point-like charge. (orig.)

  3. Canonical quantization of so-called non-Lagrangian systems

    International Nuclear Information System (INIS)

    Gitman, D.M.; Kupriyanov, V.G.

    2007-01-01

    We present an approach to the canonical quantization of systems with equations of motion that are historically called non-Lagrangian equations. Our viewpoint of this problem is the following: despite the fact that a set of differential equations cannot be directly identified with a set of Euler-Lagrange equations, one can reformulate such a set in an equivalent first-order form that can always be treated as the Euler-Lagrange equations of a certain action. We construct such an action explicitly. It turns out that in the general case the hamiltonization and canonical quantization of such an action are non-trivial problems, since the theory involves time-dependent constraints. We adopt the general approach of hamiltonization and canonical quantization for such theories as described in D.M. Gitman, I.V. Tyutin, Quantization of Fields with Constraints (Springer, Berlin, 1990). to the case under consideration. There exists an ambiguity (that cannot be reduced to the addition of a total time derivative) in associating a Lagrange function with a given set of equations. We present a complete description of this ambiguity. The proposed scheme is applied to the quantization of a general quadratic theory. In addition, we consider the quantization of a damped oscillator and of a radiating point-like charge. (orig.)

  4. Selective adsorption of volatile organic compounds in micropore aluminum methylphosphonate-alpha: a combined molecular simulation-experimental approach.

    Science.gov (United States)

    Herdes, Carmelo; Valente, Anabela; Lin, Zhi; Rocha, João; Coutinho, João A P; Medina, Francisco; Vega, Lourdes F

    2007-06-19

    Results concerning the adsorption capacity of aluminum methylphosphonate polymorph alpha (AlMePO-alpha) for pure ethyl chloride and vinyl chloride by measured individual adsorption isotherms of these pure compounds are presented and discussed here. The experimental data supports the idea of using these materials as selective adsorbents for separating these compounds in mixtures. To explore this possibility further, we have performed grand canonical Monte Carlo simulations using a recently proposed molecular simulation framework for gas adsorption on AlMePO, and the results are presented here. The molecular model of the material was used in a purely transferable manner from a previous work (Herdes, C.; Lin, Z.; Valente, A.; Coutinho, J. A. P.; Vega, L. F. Langmuir 2006, 22, 3097). Regarding the molecular model of the fluids, an existing model for ethyl chloride was improved to capture the experimental dipole value better; an equivalent force field for the vinyl chloride molecule was also developed for simulation purposes. Simulations of the pure compounds were found to be in excellent agreement with the measured experimental data at the three studied temperatures. Simulations were also carried out in a purely predictive manner as a tool to find the optimal conditions for the selective adsorption of these compounds prior experimental measurements are carried out. The influence of the temperature and the bulk composition on the adsorption selectivity was also investigated. Results support the use of AlMePO-alpha as an appropriate adsorbent for the purification process of vinyl chloride, upholding the selective adsorption of ethyl chloride.

  5. Fibrin-Enhanced Canonical Wnt Signaling Directs Plasminogen Expression in Cementoblasts

    Directory of Open Access Journals (Sweden)

    Saeed Ur Rahman

    2017-11-01

    Full Text Available Cementum is a mineralized layer on the tooth’s root surface and facilitates the biomechanical anchoring of fibrous connective tissues as a part of tooth-supportive complexes. Previously, we observed that OCCM30 cementoblasts cultured on fibrin matrices underwent apoptosis due to fibrin degradation through the expression of proteases. Here, we demonstrated that OCCM30 on fibrin matrices (OCCM30-fibrin enhanced canonical Wnt signaling, which directed to plasminogen expression. The OCCM30-fibrin showed higher levels of Wnt3a expression, nuclear translocation of β-catenin, and T-cell factor (TCF optimal motif (TOP reporter activity than the cells on tissue culture dishes (OCCM30-TCD, indicating that the OCCM30-fibrin enhanced canonical Wnt/β-catenin signaling. Also, OCCM30-fibrin expressed biomineralization-associated markers at higher levels than OCCM30-TCD, of which levels were further increased with LiCl, a Wnt signaling activator. The OCCM30 cementoblasts simultaneously showed that high levels of plasminogen, a critical component of fibrinolysis, were expressed in the OCCM30-fibrin. Activation of canonical Wnt signaling with LiCl treatment or with forced lymphoid enhancer factor 1 (LEF1-expression increased the expression of plasminogen. On the contrary, the inhibition of canonical Wnt signaling with siRNAs against Wnt3a or β-catenin abrogated fibrin-enhanced plasminogen expression. Furthermore, there are three conserved putative response elements for the LEF1/β-catenin complex in the plasminogen proximal promoter regions (−900 to +54. Site-directed mutations and chromatin immunoprecipitation indicated that canonical Wnt signaling directed plasminogen expression. Taken together, this study suggests that fibrin-based materials can modulate functional periodontal formations in controlling cementoblast differentiation and fibrin degradation.

  6. SFRP2 enhances the osteogenic differentiation of apical papilla stem cells by antagonizing the canonical WNT pathway.

    Science.gov (United States)

    Jin, Luyuan; Cao, Yu; Yu, Guoxia; Wang, Jinsong; Lin, Xiao; Ge, Lihua; Du, Juan; Wang, Liping; Diao, Shu; Lian, Xiaomeng; Wang, Songlin; Dong, Rui; Shan, Zhaochen

    2017-01-01

    Exploring the molecular mechanisms underlying directed differentiation is helpful in the development of clinical applications of mesenchymal stem cells (MSCs). Our previous study on dental tissue-derived MSCs demonstrated that secreted frizzled-related protein 2 (SFRP2), a Wnt inhibitor, could enhance osteogenic differentiation in stem cells from the apical papilla (SCAPs). However, how SFRP2 promotes osteogenic differentiation of dental tissue-derived MSCs remains unclear. In this study, we used SCAPs to investigate the underlying mechanisms. SCAPs were isolated from the apical papilla of immature third molars. Western blot and real-time RT-PCR were applied to detect the expression of β-catenin and Wnt target genes. Alizarin Red staining, quantitative calcium analysis, transwell cultures and in vivo transplantation experiments were used to study the osteogenic differentiation potential of SCAPs. SFRP2 inhibited canonical Wnt signaling by enhancing phosphorylation and decreasing the expression of nuclear β-catenin in vitro and in vivo . In addition, the target genes of the Wnt signaling pathway, AXIN2 (axin-related protein 2) and MMP7 (matrix metalloproteinase-7), were downregulated by SFRP2 . WNT1 inhibited the osteogenic differentiation potential of SCAPs. SFRP2 could rescue this WNT1 -impaired osteogenic differentiation potential. The results suggest that SFRP2 could bind to locally present Wnt ligands and alter the balance of intracellular Wnt signaling to antagonize the canonical Wnt pathway in SCAPs. This elucidates the molecular mechanism underlying the SFRP2-mediated directed differentiation of SCAPs and indicates potential target genes for improving dental tissue regeneration.

  7. Canonical Wnt signaling induces a primitive endoderm metastable state in mouse embryonic stem cells.

    Science.gov (United States)

    Price, Feodor D; Yin, Hang; Jones, Andrew; van Ijcken, Wilfred; Grosveld, Frank; Rudnicki, Michael A

    2013-04-01

    Activation of the canonical Wnt signaling pathway synergizes with leukemia inhibitory factor (LIF) to maintain pluripotency of mouse embryonic stem cells (mESCs). However, in the absence of LIF, Wnt signaling is unable to maintain ESCs in the undifferentiated state. To investigate the role of canonical Wnt signaling in pluripotency and lineage specification, we expressed Wnt3a in mESCs and characterized them in growth and differentiation. We found that activated canonical Wnt signaling induced the formation of a reversible metastable primitive endoderm state in mESC. Upon subsequent differentiation, Wnt3a-stimulated mESCs gave rise to large quantities of visceral endoderm. Furthermore, we determined that the ability of canonical Wnt signaling to induce a metastable primitive endoderm state was mediated by Tbx3. Our data demonstrates a specific role for canonical Wnt signaling in promoting pluripotency while at the same time priming cells for subsequent differentiation into the primitive endoderm lineage. Copyright © 2013 AlphaMed Press.

  8. Algorithmic transformation of multi-loop master integrals to a canonical basis with CANONICA

    Science.gov (United States)

    Meyer, Christoph

    2018-01-01

    The integration of differential equations of Feynman integrals can be greatly facilitated by using a canonical basis. This paper presents the Mathematica package CANONICA, which implements a recently developed algorithm to automatize the transformation to a canonical basis. This represents the first publicly available implementation suitable for differential equations depending on multiple scales. In addition to the presentation of the package, this paper extends the description of some aspects of the algorithm, including a proof of the uniqueness of canonical forms up to constant transformations.

  9. A note on asymptotic normality in the thermodynamic limit at low densities

    DEFF Research Database (Denmark)

    Jensen, J.L.

    1991-01-01

    We consider a continuous statistical mechanical system with a pair interaction in a region λ tending to infinity. For low densities asymptotic normality of the canonical statistic is proved, both in the grand canonical ensemble and in the canonical ensemble. The results are illustrated through...

  10. Generalized canonical correlation analysis with missing values

    NARCIS (Netherlands)

    M. van de Velden (Michel); Y. Takane

    2009-01-01

    textabstractTwo new methods for dealing with missing values in generalized canonical correlation analysis are introduced. The first approach, which does not require iterations, is a generalization of the Test Equating method available for principal component analysis. In the second approach,

  11. Simultaneous Semi-Coupled Dictionary Learning for Matching in Canonical Space.

    Science.gov (United States)

    Das, Nilotpal; Mandal, Devraj; Biswas, Soma

    2017-05-24

    Cross-modal recognition and matching with privileged information are important challenging problems in the field of computer vision. The cross-modal scenario deals with matching across different modalities and needs to take care of the large variations present across and within each modality. The privileged information scenario deals with the situation that all the information available during training may not be available during the testing stage and hence algorithms need to leverage the extra information from the training stage itself. We show that for multi-modal data, either one of the above situations may arise if one modality is absent during testing. Here, we propose a novel framework which can handle both these scenarios seamlessly with applications to matching multi-modal data. The proposed approach jointly uses data from the two modalities to build a canonical representation which encompasses information from both the modalities. We explore four different types of canonical representations for different types of data. The algorithm computes dictionaries and canonical representation for data from both the modalities such that the transformed sparse coefficients of both the modalities are equal to that of the canonical representation. The sparse coefficients are finally matched using Mahalanobis metric. Extensive experiments on different datasets, involving RGBD, text-image and audio-image data show the effectiveness of the proposed framework.

  12. Canonical group quantization and boundary conditions

    Energy Technology Data Exchange (ETDEWEB)

    Jung, Florian

    2012-07-16

    In the present thesis, we study quantization of classical systems with non-trivial phase spaces using the group-theoretical quantization technique proposed by Isham. Our main goal is a better understanding of global and topological aspects of quantum theory. In practice, the group-theoretical approach enables direct quantization of systems subject to constraints and boundary conditions in a natural and physically transparent manner -- cases for which the canonical quantization method of Dirac fails. First, we provide a clarification of the quantization formalism. In contrast to prior treatments, we introduce a sharp distinction between the two group structures that are involved and explain their physical meaning. The benefit is a consistent and conceptually much clearer construction of the Canonical Group. In particular, we shed light upon the 'pathological' case for which the Canonical Group must be defined via a central Lie algebra extension and emphasise the role of the central extension in general. In addition, we study direct quantization of a particle restricted to a half-line with 'hard wall' boundary condition. Despite the apparent simplicity of this example, we show that a naive quantization attempt based on the cotangent bundle over the half-line as classical phase space leads to an incomplete quantum theory; the reflection which is a characteristic aspect of the 'hard wall' is not reproduced. Instead, we propose a different phase space that realises the necessary boundary condition as a topological feature and demonstrate that quantization yields a suitable quantum theory for the half-line model. The insights gained in the present special case improve our understanding of the relation between classical and quantum theory and illustrate how contact interactions may be incorporated.

  13. Hamiltonian formalism, quantization and S matrix for supergravity. [S matrix, canonical constraints

    Energy Technology Data Exchange (ETDEWEB)

    Fradkin, E S; Vasiliev, M A [AN SSSR, Moscow. Fizicheskij Inst.

    1977-12-05

    The canonical formalism for supergravity is constructed. The algebra of canonical constraints is found. The correct expression for the S matrix is obtained. Usual 'covariant methods' lead to an incorrect S matrix in supergravity since a new four-particle interaction of ghostfields survives in the Lagrangian expression of the S matrix.

  14. An efficient algorithm for calculation of the Luenberger canonical form.

    Science.gov (United States)

    Jordan, D.; Sridhar, B.

    1973-01-01

    A new algorithm is presented to obtain the Luenberger canonical form for multivariable systems. A distinct feature of the method is that the canonical form is obtained directly and, if necessary, the similarity transformation can be computed. There is a substantial reduction in the amount of computation compared to Luenberger's method. The reduced computations along with Gaussian techniques lend greater inherent accuracy and the ability to refine the solution with additional computations. An example is presented to illustrate the technique.

  15. The grand unified link between the Peccei-Quinn mechanism and the generation puzzle

    International Nuclear Information System (INIS)

    Davidson, A.; Wali, K.C.

    1982-03-01

    The essential ingredients of the Peccei-Quinn mechanism are shown to be dictated by a proper choice of a grand unification scheme. The presence of U(1)sub(PQ) gives rise to the possibility that the same physics which resolves the strong CP-violation problem may decode the generation puzzle with no extra cost. Multigenerational signatures of the invisible axion scenario, such as the canonical fermion mass matrix, are discussed. The uniqueness and the special values of the quantized PQ-assignments, namely 1,-3,5-7,... for successive generations, acquire an automatic explanation once the idea of ''horizontal compositeness'' is invoked. A characteristic feature then is that the muon appears to have a less complicated structure than the electron. Furthermore, U(1)sub(PQ) chooses SO(10) to be its only tenable gauge symmetry partner, and at the same time crucially restricts the associated Higgs system. All this finally results in a consistent fermion mass hierarchy with log m, to the crudest estimation, varying linearly with respect to the generation index. (author)

  16. Horizon-preserving dualities and perturbations in non-canonical scalar field cosmologies

    International Nuclear Information System (INIS)

    Geshnizjani, Ghazal; Kinney, William H.; Dizgah, Azadeh Moradinezhad

    2012-01-01

    We generalize the cosmological duality between inflation and cyclic contraction under the interchange a↔H to the case of non-canonical scalar field theories with varying speed of sound. The single duality in the canonical case generalizes to a family of three dualities constructed to leave the cosmological acoustic horizon invariant. We find three classes of models: (I) DBI inflation, (II) the non-canonical generalization of cyclic contraction, and (III) a new cosmological solution with rapidly decreasing speed of sound and relatively slowly growing scale factor, which we dub stalled cosmology. We construct dual analogs to the inflationary slow roll approximation, and solve for the curvature perturbation in all three cases. Both cyclic contraction and stalled cosmology predict a strongly blue spectrum for the curvature perturbations inconsistent with observations

  17. Correspondence and canonicity in non-classical logic

    NARCIS (Netherlands)

    Sourabh, S.

    2015-01-01

    In this thesis we study correspondence and canonicity for non-classical logic using algebraic and order-topological methods. Correspondence theory is aimed at answering the question of how precisely modal, first-order, second-order languages interact and overlap in their shared semantic environment.

  18. Probing the small distance structure of canonical

    NARCIS (Netherlands)

    t Hooft, G.

    2010-01-01

    In canonical quantum gravity, the formal functional integral includes an integration over the local conformal factor, and we propose to perform the functional integral over this factor before doing any of the other functional integrals. By construction, the resulting effective theory would be

  19. Canonical sampling of a lattice gas

    International Nuclear Information System (INIS)

    Mueller, W.F.

    1997-01-01

    It is shown that a sampling algorithm, recently proposed in conjunction with a lattice-gas model of nuclear fragmentation, samples the canonical ensemble only in an approximate fashion. A residual weight factor has to be taken into account to calculate correct thermodynamic averages. Then, however, the algorithm is numerically inefficient. copyright 1997 The American Physical Society

  20. Universal canonical entropy for gravitating systems

    Indian Academy of Sciences (India)

    Similar to this is the case of ref. [12] which also uses the saddle point approximation to express the microcanonical entropy in terms of the canonical entropy [12a]. Recalling that there is at least 'circumstantial' evidence that the microcanonical entropy has a 'universal' form [13–15], identical to that obtained in ref. [6] quoted.

  1. DNA pattern recognition using canonical correlation algorithm.

    Science.gov (United States)

    Sarkar, B K; Chakraborty, Chiranjib

    2015-10-01

    We performed canonical correlation analysis as an unsupervised statistical tool to describe related views of the same semantic object for identifying patterns. A pattern recognition technique based on canonical correlation analysis (CCA) was proposed for finding required genetic code in the DNA sequence. Two related but different objects were considered: one was a particular pattern, and other was test DNA sequence. CCA found correlations between two observations of the same semantic pattern and test sequence. It is concluded that the relationship possesses maximum value in the position where the pattern exists. As a case study, the potential of CCA was demonstrated on the sequence found from HIV-1 preferred integration sites. The subsequences on the left and right flanking from the integration site were considered as the two views, and statistically significant relationships were established between these two views to elucidate the viral preference as an important factor for the correlation.

  2. La importancia de ser grande

    OpenAIRE

    Baisre, J. A.

    2007-01-01

    Se responde a las preguntas ¿por qué los mamíferos marinos son los animales más grandes del planeta?, ¿Por qué los peces no pueden ser más grandes?. Éstas y otras interrogantes son respondidas de forma sencilla y clara.

  3. Unifying Dark Matter and Dark Energy with non-Canonical Scalars

    OpenAIRE

    Mishra, Swagat S.; Sahni, Varun

    2018-01-01

    Non-canonical scalar fields with the Lagrangian ${\\cal L} = X^\\alpha - V(\\phi)$, possess the attractive property that the speed of sound, $c_s^{2} = (2\\,\\alpha - 1)^{-1}$, can be exceedingly small for large values of $\\alpha$. This allows a non-canonical field to cluster and behave like warm/cold dark matter on small scales. We demonstrate that simple potentials such as $V = V_0\\coth^2{\\phi}$ and the Starobinsky-type potential $V(\\phi) = V_0 \\left ( 1 - e^{-{\\phi}}\\right )^{2}$ can unify dark...

  4. On the canonical treatment of Lagrangian constraints

    International Nuclear Information System (INIS)

    Barbashov, B.M.

    2001-01-01

    The canonical treatment of dynamic systems with manifest Lagrangian constraints proposed by Berezin is applied to concrete examples: a special Lagrangian linear in velocities, relativistic particles in proper time gauge, a relativistic string in orthonormal gauge, and the Maxwell field in the Lorentz gauge

  5. On the canonical treatment of Lagrangian constraints

    International Nuclear Information System (INIS)

    Barbashov, B.M.

    2001-01-01

    The canonical treatment of dynamic systems with manifest Lagrangian constraints proposed by Berezin is applied to concrete examples: a specific Lagrangian linear in velocities, relativistic particles in proper time gauge, a relativistic string in orthonormal gauge, and the Maxwell field in the Lorentz gauge

  6. Molecular Simulation Study of Montmorillonite in Contact with Variably Wet Supercritical Carbon Dioxide

    KAUST Repository

    Kadoura, Ahmad Salim

    2017-03-07

    We perform grand canonical Monte Carlo simulations to study the detailed molecular mechanism of intercalation behavior of CO2 in Na-, Ca-, and Mg- montmorillonite exposed to variably hydrated supercritical CO2 at 323.15 K and 90 bar, The simulations indicate that the intercalation of CO2 strongly depends on the relative humidity (RH). The intercalation of CO2 in the dehydrated interlayer is inhibited, followed by the swelling of the interlayer region due to uptake of water and CO2 as the RH increases. In all of the hydrated clay samples, the amount of the intercalated CO2 generally decreases as a function of increasing RH, which is attributed mainly to the weakening of the interaction between CO2 and clay. At low RH values, Ca- and Mg- montmorillonite are relatively more efficient in capturing CO2. The amount of CO2 trapped in all clay samples shows similar values above RH of similar to 60%. Molecular dynamics simulations show that the diffusion coefficient of each species generally increases with increasing RH due to the associated expansion of the interlayer distance of the clay. For all the hydrated samples, the diffusion coefficients of CO2 and water in the interlayers are mostly comparable due to the fact that CO2 molecules are well solvated. The diffusion of CO2 in each hydration state is mostly independent of the type of cation in accordance with the fact that CO2 molecules hardly migrate into the first hydration shell of the interlayer cations.

  7. A Requirement for ZAK Kinase Activity in Canonical TGF-β Signaling

    Directory of Open Access Journals (Sweden)

    Shyam Nyati

    2016-12-01

    Full Text Available The sterile alpha motif and leucine zipper containing kinase ZAK (AZK, MLT, MLK7, is a MAPK-kinase kinase (MKKK. Like most MAPKKKs which are known to activate the c-Jun. amino-terminal kinase (JNK pathway, ZAK has been shown to participate in the transduction of Transforming growth factor-β (TGF-β-mediated non-canonical signaling. A role for ZAK in SMAD-dependent, canonical TGF-β signaling has not been previously appreciated. Using a combination of functional genomics and biochemical techniques, we demonstrate that ZAK regulates canonical TGFβRI/II signaling in lung and breast cancer cell lines and may serve as a key node in the regulation of TGFBR kinase activity. Remarkably, we demonstrate that siRNA mediated depletion of ZAK strongly inhibited TGF-β dependent SMAD2/3 activation and subsequent promoter activation (SMAD binding element driven luciferase expression; SBE4-Luc. A ZAK specific inhibitor (DHP-2, dose-dependently activated the bioluminescent TGFBR-kinase activity reporter (BTR, blocked TGF-β induced SMAD2/3 phosphorylation and SBE4-Luc activation and cancer cell-invasion. In aggregate, these findings identify a novel role for the ZAK kinase in canonical TGF-β signaling and an invasive cancer cell phenotype thus providing a novel target for TGF-β inhibition.

  8. Spatio-chromatic adaptation via higher-order canonical correlation analysis of natural images.

    Science.gov (United States)

    Gutmann, Michael U; Laparra, Valero; Hyvärinen, Aapo; Malo, Jesús

    2014-01-01

    Independent component and canonical correlation analysis are two general-purpose statistical methods with wide applicability. In neuroscience, independent component analysis of chromatic natural images explains the spatio-chromatic structure of primary cortical receptive fields in terms of properties of the visual environment. Canonical correlation analysis explains similarly chromatic adaptation to different illuminations. But, as we show in this paper, neither of the two methods generalizes well to explain both spatio-chromatic processing and adaptation at the same time. We propose a statistical method which combines the desirable properties of independent component and canonical correlation analysis: It finds independent components in each data set which, across the two data sets, are related to each other via linear or higher-order correlations. The new method is as widely applicable as canonical correlation analysis, and also to more than two data sets. We call it higher-order canonical correlation analysis. When applied to chromatic natural images, we found that it provides a single (unified) statistical framework which accounts for both spatio-chromatic processing and adaptation. Filters with spatio-chromatic tuning properties as in the primary visual cortex emerged and corresponding-colors psychophysics was reproduced reasonably well. We used the new method to make a theory-driven testable prediction on how the neural response to colored patterns should change when the illumination changes. We predict shifts in the responses which are comparable to the shifts reported for chromatic contrast habituation.

  9. Are Young Children's Drawings Canonically Biased?

    Science.gov (United States)

    Picard, Delphine; Durand, Karine

    2005-01-01

    In a between-subjects design, 4-to 6-year-olds were asked to draw from three-dimensional (3D) models, two-and-a-half-dimensional (212D) models with or without depth cues, or two-dimensional (2D) models of a familiar object (a saucepan) in noncanonical orientations (handle at the back or at the front). Results showed that canonical errors were…

  10. Canonical ward identities in generalized QCD

    International Nuclear Information System (INIS)

    Li Ziping

    1995-01-01

    The canonical Ward identities for a system with singular higher-order Lagrangian are derived and some application to the generalized QCD are given. The new relations of the Ward identities for gauge ghost field proper vertices are obtained which differ from the usual Ward-Takahashi identities arising from BRS invariance. The expressions for PCAC and generalized PCAC of AVV vertices are also obtained

  11. Comments on the charge-monopole canonical formalism

    International Nuclear Information System (INIS)

    Comay, C.

    1988-01-01

    A recently published canonical formalism of a charge-monopole system written by means of Clifford algebras is discussed. It is shown that the introduction of the Lorentz force must be accompanied by the removal of the pseudo-scalar terms from the lagrangian. Several conclusions follow. (orig.)

  12. Canonical extensions of the Johnson homomorphisms to the Torelli groupoid

    DEFF Research Database (Denmark)

    Bene, Alex; Kawazumi, Nariya; Penner, Robert

    2009-01-01

    We prove that every trivalent marked bordered fatgraph comes equipped with a canonical generalized Magnus expansion in the sense of Kawazumi. This Magnus expansion is used to give canonical extensions of the higher Johnson homomorphisms τm , for m 1 , to the Torelli groupoid, and we provide...... a recursive combinatorial formula for tensor representatives of these extensions. In particular, we give an explicit 1-cocycle in the dual fatgraph complex which extends τ2 and thus answer affirmatively a question of Morita and Penner. To illustrate our techniques for calculating higher Johnson homomorphisms...

  13. Discourse context and the recognition of reduced and canonical spoken words

    OpenAIRE

    Brouwer, S.; Mitterer, H.; Huettig, F.

    2013-01-01

    In two eye-tracking experiments we examined whether wider discourse information helps the recognition of reduced pronunciations (e.g., 'puter') more than the recognition of canonical pronunciations of spoken words (e.g., 'computer'). Dutch participants listened to sentences from a casual speech corpus containing canonical and reduced target words. Target word recognition was assessed by measuring eye fixation proportions to four printed words on a visual display: the target, a "reduced form" ...

  14. Grand unified theories. Pt. 2

    International Nuclear Information System (INIS)

    Ellis, J.

    1982-01-01

    The author gives an introduction to the construction of grand unified theories on the base of the SU(3)xSU(2)xU(1) model of the strong, weak, and electromagnetic interactions. Especially he discusses the proton decay, neutrino masses and oscillations, and cosmological implications in connection with grand unified theories. (orig./HSI)

  15. The gauge-invariant canonical energy-momentum tensor

    Science.gov (United States)

    Lorcé, Cédric

    2016-03-01

    The canonical energy-momentum tensor is often considered as a purely academic object because of its gauge dependence. However, it has recently been realized that canonical quantities can in fact be defined in a gauge-invariant way provided that strict locality is abandoned, the non-local aspect being dictacted in high-energy physics by the factorization theorems. Using the general techniques for the parametrization of non-local parton correlators, we provide for the first time a complete parametrization of the energy-momentum tensor (generalizing the purely local parametrizations of Ji and Bakker-Leader-Trueman used for the kinetic energy-momentum tensor) and identify explicitly the parts accessible from measurable two-parton distribution functions (TMDs and GPDs). As by-products, we confirm the absence of model-independent relations between TMDs and parton orbital angular momentum, recover in a much simpler way the Burkardt sum rule and derive three similar new sum rules expressing the conservation of transverse momentum.

  16. The gauge-invariant canonical energy-momentum tensor

    International Nuclear Information System (INIS)

    Lorce, C.

    2016-01-01

    The canonical energy-momentum tensor is often considered as a purely academic object because of its gauge dependence. However, it has recently been realized that canonical quantities can in fact be defined in a gauge-invariant way provided that strict locality is abandoned, the non-local aspect being dictated in high-energy physics by the factorization theorems. Using the general techniques for the parametrization of non-local parton correlators, we provide for the first time a complete parametrization of the energy-momentum tensor (generalizing the purely local parametrizations of Ji and Bakker-Leader-Trueman used for the kinetic energy-momentum tensor) and identify explicitly the parts accessible from measurable two-parton distribution functions (TMD and GPD). As by-products, we confirm the absence of model-independent relations between TMDs and parton orbital angular momentum, recover in a much simpler way the Burkardt sum rule and derive 3 similar new sum rules expressing the conservation of transverse momentum. (author)

  17. A Top-Down Account of Linear Canonical Transforms

    Directory of Open Access Journals (Sweden)

    Kurt Bernardo Wolf

    2012-06-01

    Full Text Available We contend that what are called Linear Canonical Transforms (LCTs should be seen as a part of the theory of unitary irreducible representations of the '2+1' Lorentz group. The integral kernel representation found by Collins, Moshinsky and Quesne, and the radial and hyperbolic LCTs introduced thereafter, belong to the discrete and continuous representation series of the Lorentz group in its parabolic subgroup reduction. The reduction by the elliptic and hyperbolic subgroups can also be considered to yield LCTs that act on functions, discrete or continuous in other Hilbert spaces. We gather the summation and integration kernels reported by Basu and Wolf when studiying all discrete, continuous, and mixed representations of the linear group of 2×2 real matrices. We add some comments on why all should be considered canonical.

  18. An algorithm to compute the canonical basis of an irreducible Uq(g)-module

    OpenAIRE

    de Graaf, W. A.

    2002-01-01

    An algorithm is described to compute the canonical basis of an irreducible module over a quantized enveloping algebra of a finite-dimensional semisimple Lie algebra. The algorithm works for modules that are constructed as a submodule of a tensor product of modules with known canonical bases.

  19. Generalized canonical analysis based on optimizing matrix correlations and a relation with IDIOSCAL

    NARCIS (Netherlands)

    Kiers, Henk A.L.; Cléroux, R.; Ten Berge, Jos M.F.

    1994-01-01

    Carroll's method for generalized canonical analysis of two or more sets of variables is shown to optimize the sum of squared inner-product matrix correlations between a consensus matrix and matrices with canonical variates for each set of variables. In addition, the method that analogously optimizes

  20. Albuquerque/Middle Rio Grande Urban Waters Viewer

    Science.gov (United States)

    These data have been compiled in support of the Middle Rio Grande/Albuquerque Urban Waters Partnership for the region including Albuquerque, New Mexico.The Middle Rio Grande/Albuquerque Urban Waters Federal Partnership is co-chaired by the U.S. Dept. of Housing and Urban Development and the U.S. Environmental Protection Agency. There are also a number of other federal agencies engaged in projects with Tribal, State, and local officials, and community stakeholders. Like many western river ecosystems, the Middle Rio Grande faces numerous challenges in balancing competing needs within a finite water supply and other resource constrains. Historical practices by our ancestors and immigrants to the Middle Rio Grande have established the conditions that we have inherited. Long-term drought exacerbated by climate change is changing conditions that affect natural and human communities as we strive to improve our precious Rio Grande.The Middle Rio Grande/Albuquerque Urban Waters Federal Partnership will reconnect our urban communities, particularly those that are overburdened or economically distressed, with the waterway by improving coordination among federal agencies and collaborating with community-led revitalization efforts. Our projects will improve our community water systems and promote their economic, environmental and social benefits. Specifically, the Middle Rio Grande/Albuquerque Urban Waters Federal Partnership will support the development of the Valle de Oro

  1. Canonical and D-transformations in Theories with Constraints

    OpenAIRE

    Gitman, Dmitri M.

    1995-01-01

    A class class of transformations in a super phase space (we call them D-transformations) is described, which play in theories with second-class constraints the role of ordinary canonical transformations in theories without constraints.

  2. Enabling grand-canonical Monte Carlo : extending the flexibility of GROMACS through the GromPy python interface module

    NARCIS (Netherlands)

    Pool, René; Heringa, Jaap; Hoefling, Martin; Schulz, Roland; Smith, Jeremy C; Feenstra, K Anton

    2012-01-01

    We report on a python interface to the GROMACS molecular simulation package, GromPy (available at https://github.com/GromPy). This application programming interface (API) uses the ctypes python module that allows function calls to shared libraries, for example, written in C. To the best of our

  3. Application of the TRAC-PD2 code to the simulation of the CANON experiment

    International Nuclear Information System (INIS)

    Neves Conti, T. das; Freitas, R.L.

    1985-01-01

    A comparison between the TRAC -PD2 code calculations and results from the CANON experiment is presented. The CANON experiment simulates the loss of coolant accident through the depressurization of a horizontal tube containing water at different temperatures. The experiment consist of the instantaneous rupture at one end of the tubing and the corresponding pressure and void fraction measurements during the transient. The comparison shows that the TRAC-PD2 code predicts satisfactorily the pressure and void fraction evolution in the CANON experiment. (F.C.) [pt

  4. Credible Set Estimation, Analysis, and Applications in Synthetic Aperture Radar Canonical Feature Extraction

    Science.gov (United States)

    2015-03-26

    83 5.1 Marginal PMFs for the cylinder scene at coarse zoom. . . . . . . . . . . . . . . 85 5.2 SAR image of a Nissan Sentra with canonical...of a Nissan Sentra with canonical features extracted by the SPLIT algorithm. 5.2.4 Experiment Summary. A notional algorithm is presented in Figure 5.3

  5. Canonical correlations between agronomic traits and seed physiological quality in segregating soybean populations.

    Science.gov (United States)

    Pereira, E M; Silva, F M; Val, B H P; Pizolato Neto, A; Mauro, A O; Martins, C C; Unêda-Trevisoli, S H

    2017-04-13

    The objective of this study was to evaluate the relationship between agronomic traits and physiological traits of seeds in segregating soybean populations by canonical correlation analysis. Seven populations and two commercial cultivars in three generations were used: F 3 plants and F 4 seeds; F 4 plants and F 5 seeds, and F 4 seeds and plants. The following agronomic traits (group I) were evaluated: number of days to maturity, plant height at maturity, insertion height of first pod, number of pods, grain yield, and oil content. The physiological quality of seeds (group II) was evaluated using germination, accelerated aging, emergence, and emergence rate index tests. The results showed that agronomic traits and physiological traits of seeds are not independent. Intergroup associations were established by the first canonical pair for the generation of F 3 plants and F 4 seeds, especially between more productive plants with a larger pod number and high oil content and seeds with a high germination percentage and emergence rate. For the generation of F 4 plants and F 5 seeds, the first canonical pair indicated an association between reduced maturity cycle, seeds with a high emergence percentage and a high percentage of normal seedlings after accelerated aging. According to the second canonical pair, more productive and taller plants were associated with seed vigor. For the generation of F 4 seeds and plants, the associations established by the first canonical pair occurred between seed vigor and more productive plants with high oil content and reduced maturity cycle, and those established by the second canonical pair between seeds of high physiological quality and tall plants.

  6. Traditional Herbal Remedies for Burn Wound Healing in Canon of Avicenna

    OpenAIRE

    Aliasl, Jale; Khoshzaban, Fariba

    2013-01-01

    Burns are a worldwide problem. The incidence of severe burns has been higher than the combined incidence of tuberculosis and HIV infections. Throughout history there have been many different treatments prescribed for burns. The Canon is the masterpiece of Avicenna’s medical books. The Canon includes a description of 785 simple drugs. Avicenna believed in burn treatment, which follows two goals. The first goal is prevention of blistering and the second goal is treatment of the burn wound after...

  7. The Canon is el Boom, et. al., or the Hispanic Difference

    OpenAIRE

    Bell-Villada, Gene H.

    2002-01-01

    In his article, Gene H. Bell-Villada's "The Canon is el Boom, et. al., or the Hispanic Difference," argues that the rich, globally acclaimed, foundational yet contestatory prose literature produced in Latin America allows teachers and scholars of Spanish to teach what is essentially the "canon" via work that is still fresh, yet historically provocative. Bell-Villada argues that in a time of reconsidering the importance of literature in literature programs, programs of Spanish language and cul...

  8. Transforming differential equations of multi-loop Feynman integrals into canonical form

    Energy Technology Data Exchange (ETDEWEB)

    Meyer, Christoph [Institut für Physik, Humboldt-Universität zu Berlin,12489 Berlin (Germany)

    2017-04-03

    The method of differential equations has been proven to be a powerful tool for the computation of multi-loop Feynman integrals appearing in quantum field theory. It has been observed that in many instances a canonical basis can be chosen, which drastically simplifies the solution of the differential equation. In this paper, an algorithm is presented that computes the transformation to a canonical basis, starting from some basis that is, for instance, obtained by the usual integration-by-parts reduction techniques. The algorithm requires the existence of a rational transformation to a canonical basis, but is otherwise completely agnostic about the differential equation. In particular, it is applicable to problems involving multiple scales and allows for a rational dependence on the dimensional regulator. It is demonstrated that the algorithm is suitable for current multi-loop calculations by presenting its successful application to a number of non-trivial examples.

  9. Transforming differential equations of multi-loop Feynman integrals into canonical form

    Science.gov (United States)

    Meyer, Christoph

    2017-04-01

    The method of differential equations has been proven to be a powerful tool for the computation of multi-loop Feynman integrals appearing in quantum field theory. It has been observed that in many instances a canonical basis can be chosen, which drastically simplifies the solution of the differential equation. In this paper, an algorithm is presented that computes the transformation to a canonical basis, starting from some basis that is, for instance, obtained by the usual integration-by-parts reduction techniques. The algorithm requires the existence of a rational transformation to a canonical basis, but is otherwise completely agnostic about the differential equation. In particular, it is applicable to problems involving multiple scales and allows for a rational dependence on the dimensional regulator. It is demonstrated that the algorithm is suitable for current multi-loop calculations by presenting its successful application to a number of non-trivial examples.

  10. Transforming differential equations of multi-loop Feynman integrals into canonical form

    International Nuclear Information System (INIS)

    Meyer, Christoph

    2017-01-01

    The method of differential equations has been proven to be a powerful tool for the computation of multi-loop Feynman integrals appearing in quantum field theory. It has been observed that in many instances a canonical basis can be chosen, which drastically simplifies the solution of the differential equation. In this paper, an algorithm is presented that computes the transformation to a canonical basis, starting from some basis that is, for instance, obtained by the usual integration-by-parts reduction techniques. The algorithm requires the existence of a rational transformation to a canonical basis, but is otherwise completely agnostic about the differential equation. In particular, it is applicable to problems involving multiple scales and allows for a rational dependence on the dimensional regulator. It is demonstrated that the algorithm is suitable for current multi-loop calculations by presenting its successful application to a number of non-trivial examples.

  11. Islamic Canon law encounters South African financing and banking ...

    African Journals Online (AJOL)

    Islamic Canon law encounters South African financing and banking institutions: Prospects and possibilities for Islamic economic empowerment and Black Economic Empowerment in a Democratic South Africa.

  12. Signature and Pathophysiology of Non-canonical Pores in Voltage-Dependent Cation Channels.

    Science.gov (United States)

    Held, Katharina; Voets, Thomas; Vriens, Joris

    2016-01-01

    Opening and closing of voltage-gated cation channels allows the regulated flow of cations such as Na(+), K(+), and Ca(2+) across cell membranes, which steers essential physiological processes including shaping of action potentials and triggering Ca(2+)-dependent processes. Classical textbooks describe the voltage-gated cation channels as membrane proteins with a single, central aqueous pore. In recent years, however, evidence has accumulated for the existence of additional ion permeation pathways in this group of cation channels, distinct from the central pore, which here we collectively name non-canonical pores. Whereas the first non-canonical pores were unveiled only after making specific point mutations in the voltage-sensor region of voltage-gated Na(+) and K(+) channels, recent evidence indicates that they may also be functional in non-mutated channels. Moreover, several channelopathies have been linked to mutations that cause the appearance of a non-canonical ion permeation pathway as a new pathological mechanism. This review provides an integrated overview of the biophysical properties of non-canonical pores described in voltage-dependent cation channels (KV, NaV, Cav, Hv1, and TRPM3) and of the (patho)physiological impact of opening of such pores.

  13. Canonical sound speed profile and related ray acoustic parameters in the Bay of Bengal

    Digital Repository Service at National Institute of Oceanography (India)

    Murty, T.V.R.; Sadhuram, Y.; Rao, M.M.M.; Rao, B.P.; SuryaPrakash, S.; Chandramouli, P.; Murthy, K.S.R.; Prasad, K.V.S.R.

    Following Munk's canonical theory, canonical parameters (i.e., B the stratification scale and epsilon the perturbation coefficient) in adiabatic ocean are obtained using SOFAR channel parameters (i.e., C sound velocity at the channel axis, Z sub(1...

  14. A review of the evidence for the canonical Wnt pathway in autism spectrum disorders

    Directory of Open Access Journals (Sweden)

    Kalkman Hans

    2012-10-01

    Full Text Available Abstract Microdeletion and microduplication copy number variations are found in patients with autism spectrum disorder and in a number of cases they include genes that are involved in the canonical Wnt signaling pathway (for example, FZD9, BCL9 or CDH8. Association studies investigating WNT2, DISC1, MET, DOCK4 or AHI1 also provide evidence that the canonical Wnt pathway might be affected in autism. Prenatal medication with sodium-valproate or antidepressant drugs increases autism risk. In animal studies, it has been found that these medications promote Wnt signaling, including among others an increase in Wnt2 gene expression. Notably, the available genetic information indicates that not only canonical Wnt pathway activation, but also inhibition seems to increase autism risk. The canonical Wnt pathway plays a role in dendrite growth and suboptimal activity negatively affects the dendritic arbor. In principle, this provides a logical explanation as to why both hypo- and hyperactivity may generate a similar set of behavioral and cognitive symptoms. However, without a validated biomarker to stratify for deviant canonical Wnt pathway activity, it is probably too dangerous to treat patients with compounds that modify pathway activity.

  15. Baryon number violation and novel canonical anti-commutation relations

    Science.gov (United States)

    Fujikawa, Kazuo; Tureanu, Anca

    2018-02-01

    The possible neutron-antineutron oscillation is described by an effective quadratic Lagrangian analogous to the BCS theory. It is shown that the conventional equal-time anti-commutation relations of the neutron variable n (t , x →) are modified by the baryon number violating terms. This is established by the Bjorken-Johnson-Low prescription and also by the canonical quantization combined with equations of motion. This novel canonical behavior can give rise to an important physical effect, which is illustrated by analyzing the Lagrangian that violates the baryon number but gives rise to the degenerate effective Majorana fermions and thus no neutron-antineutron oscillation. Technically, this model is neatly treated using a relativistic analogue of the Bogoliubov transformation.

  16. Flocculent and grand design spiral galaxies in groups: time scales for the persistence of grand design spiral structures

    International Nuclear Information System (INIS)

    Elmegreen, B.G.; Elmegreen, D.M.

    1983-01-01

    Spiral arm classifications were made for 261 low-inclination galaxies in groups listed by Huchra and Geller. The fractional occurrence of grand design spiral structure in nonbarred galaxies was found to increase from approx.0.1 to approx.0.6 and then level off as the group crossing rate or galaxy collision rate in a group increases. A simple model is discussed where the random encounters between galaxies of any type and flocculent galaxies induce transient grand design spirals in the flocculent galaxies. If this grand-design stimulation occurs for binary collisions with impact parameters less than αR 25 , were R 25 is the galactic radius at 25 mag arcsec - 2 , and if the induced grand design spirals persist for an average time equal to #betta# galactic rotations, then the quantity α 2 #betta# equals approximately 3 x 10 4 . If binary collisions are responsible for grand design spirals, then this result implies either that the induced spirals last for many galactic rotations (#betta#>15), or that they can be stimulated by very remote encounters (α>45.) Alternatively, grand design spirals may be stimulated by multiple galaxy encounters, which would be the case for such large α, or by interactions with the potential well of the associated group, rather than by simple binary encounters. Weak correlations between the grand design fraction and the galaxy size, or between this fraction and the total number of galaxies in a group, were also found. Spiral structures of barred galaxies show no correlations with group environment

  17. Attenuation of the Squared Canonical Correlation Coefficient under Varying Estimates of Score Reliability

    Science.gov (United States)

    Wilson, Celia M.

    2010-01-01

    Research pertaining to the distortion of the squared canonical correlation coefficient has traditionally been limited to the effects of sampling error and associated correction formulas. The purpose of this study was to compare the degree of attenuation of the squared canonical correlation coefficient under varying conditions of score reliability.…

  18. Canonical decomposition of magnetotelluric responses: Experiment on 1D anisotropic structures

    Science.gov (United States)

    Guo, Ze-qiu; Wei, Wen-bo; Ye, Gao-feng; Jin, Sheng; Jing, Jian-en

    2015-08-01

    Horizontal electrical heterogeneity of subsurface earth is mostly originated from structural complexity and electrical anisotropy, and local near-surface electrical heterogeneity will severely distort regional electromagnetic responses. Conventional distortion analyses for magnetotelluric soundings are primarily physical decomposition methods with respect to isotropic models, which mostly presume that the geoelectric distribution of geological structures is of local and regional patterns represented by 3D/2D models. Due to the widespread anisotropy of earth media, the confusion between 1D anisotropic responses and 2D isotropic responses, and the defects of physical decomposition methods, we propose to conduct modeling experiments with canonical decomposition in terms of 1D layered anisotropic models, and the method is one of the mathematical decomposition methods based on eigenstate analyses differentiated from distortion analyses, which can be used to recover electrical information such as strike directions, and maximum and minimum conductivity. We tested this method with numerical simulation experiments on several 1D synthetic models, which turned out that canonical decomposition is quite effective to reveal geological anisotropic information. Finally, for the background of anisotropy from previous study by geological and seismological methods, canonical decomposition is applied to real data acquired in North China Craton for 1D anisotropy analyses, and the result shows that, with effective modeling and cautious interpretation, canonical decomposition could be another good method to detect anisotropy of geological media.

  19. On the Theotokia in the Canon for St. Wenceslas

    Directory of Open Access Journals (Sweden)

    Vittorio Springfield Tomelleri

    2016-08-01

    Full Text Available The present paper reports on the first results from the investigation of the Church Slavonic canon composed for the Czech saint Wenceslas (Václav, Viacheslav and preserved in East Slavic manuscripts from the end of the 11th century. Particular attention has been given to the analysis of the Marian hymns (theotokia, whose Greek originals could be detected in all cases but one (the first ode. The Slavonic translation has been thoroughly compared with its Greek original and with other versions taken from different canons. Following the critical edition of each single Slavonic text, a synoptic interlinear version is provided, which allows the immediate identification of common readings, errors, and omissions. The theotokia contained in the canon for Wenceslas show interesting similarities with the textual tradition documented in the Oktoechos and the Common of Saints, the latter being usually associated with Clement of Ohrid; a possible explanation of this fact could be that these texts were not newly translated from Greek, but taken from already existing hymnographic sources. Undoubtedly, much deeper analysis is required in order to disentangle the textual history of these texts; the collected material aims to provide a good starting point for further investigations.

  20. Photophysics and Photochemistry of Canonical Nucleobases’ Thioanalogs: From Quantum Mechanical Studies to Time Resolved Experiments

    Directory of Open Access Journals (Sweden)

    Serra Arslancan

    2017-06-01

    Full Text Available Interest in understanding the photophysics and photochemistry of thiated nucleobases has been awakened because of their possible involvement in primordial RNA or their potential use as photosensitizers in medicinal chemistry. The interpretation of the photodynamics of these systems, conditioned by their intricate potential energy surfaces, requires the powerful interplay between experimental measurements and state of the art molecular simulations. In this review, we provide an overview on the photophysics of natural nucleobases’ thioanalogs, which covers the last 30 years and both experimental and computational contributions. For all the canonical nucleobase’s thioanalogs, we have compiled the main steady state absorption and emission features and their interpretation in terms of theoretical calculations. Then, we revise the main topographical features, including stationary points and interstate crossings, of their potential energy surfaces based on quantum mechanical calculations and we conclude, by combining the outcome of different spectroscopic techniques and molecular dynamics simulations, with the mechanism by which these nucleobase analogs populate their triplet excited states, which are at the origin of their photosensitizing properties.

  1. The roles of theory in canonical action research

    NARCIS (Netherlands)

    Davison, R.M.; Martinsons, M.G.; Ou, C.X.J.

    2012-01-01

    Canonical action research (CAR) aims to address real-world problems and improve organizational performance by combining scholarly observations with practical interventions. However, efforts to conduct CAR have revealed challenges that reflect a significant research–practice gap. We examine these

  2. An asymptotic formula for the free energy density of ideal quantum gases

    International Nuclear Information System (INIS)

    Mackowiak, J.

    1988-01-01

    It is shown that the expressions for the free energy density of ideal quantum gases in the canonical and grand canonical ensembles, are identical up to additive terms which vanish in the thermodynamic limit. (orig.)

  3. Canonical transformations and exact invariants for dissipative systems

    International Nuclear Information System (INIS)

    Pedrosa, I.A.

    1986-01-01

    A simple treatment to the problem of finding exact invariants and related auxiliary equations for time-dependent oscillators with friction is presented. The treatment is based on the use of a time-dependent canonical transformation and an auxiliary transformation. (Author) [pt

  4. Magnetic phase diagrams from non-collinear canonical band theory

    DEFF Research Database (Denmark)

    Shallcross, Sam; Nordstrom, L.; Sharma, S.

    2007-01-01

    A canonical band theory of non-collinear magnetism is developed and applied to the close packed fcc and bcc crystal structures. This is a parameter-free theory where the crystal and magnetic symmetry and exchange splitting uniquely determine the electronic bands. In this way, we are able...... hybridization, and on this basis we are able to analyze the microscopic reasons behind the occurrence of non-collinear magnetism in the elemental itinerant magnets....... to construct phase diagrams of magnetic order for the fcc and bcc lattices. Several examples of non-collinear magnetism are seen to be canonical in origin, in particular, that of gamma-Fe. In this approach, the determination of magnetic stability results solely from changes in kinetic energy due to spin...

  5. Canonical Drude Weight for Non-integrable Quantum Spin Chains

    Science.gov (United States)

    Mastropietro, Vieri; Porta, Marcello

    2018-03-01

    The Drude weight is a central quantity for the transport properties of quantum spin chains. The canonical definition of Drude weight is directly related to Kubo formula of conductivity. However, the difficulty in the evaluation of such expression has led to several alternative formulations, accessible to different methods. In particular, the Euclidean, or imaginary-time, Drude weight can be studied via rigorous renormalization group. As a result, in the past years several universality results have been proven for such quantity at zero temperature; remarkably, the proofs work for both integrable and non-integrable quantum spin chains. Here we establish the equivalence of Euclidean and canonical Drude weights at zero temperature. Our proof is based on rigorous renormalization group methods, Ward identities, and complex analytic ideas.

  6. Turbulent transport across invariant canonical flux surfaces

    International Nuclear Information System (INIS)

    Hollenberg, J.B.; Callen, J.D.

    1994-07-01

    Net transport due to a combination of Coulomb collisions and turbulence effects in a plasma is investigated using a fluid moment description that allows for kinetic and nonlinear effects via closure relations. The model considered allows for ''ideal'' turbulent fluctuations that distort but preserve the topology of species-dependent canonical flux surfaces ψ number-sign,s triple-bond ∫ dF · B number-sign,s triple-bond ∇ x [A + (m s /q s )u s ] in which u s is the flow velocity of the fluid species. Equations for the net transport relative to these surfaces due to ''nonideal'' dissipative processes are found for the total number of particles and total entropy enclosed by a moving canonical flux surface. The corresponding particle transport flux is calculated using a toroidal axisymmetry approximation of the ideal surfaces. The resulting Lagrangian transport flux includes classical, neoclassical-like, and anomalous contributions and shows for the first time how these various contributions should be summed to obtain the total particle transport flux

  7. Single-site Lennard-Jones models via polynomial chaos surrogates of Monte Carlo molecular simulation

    KAUST Repository

    Kadoura, Ahmad Salim; Siripatana, Adil; Sun, Shuyu; Knio, Omar; Hoteit, Ibrahim

    2016-01-01

    In this work, two Polynomial Chaos (PC) surrogates were generated to reproduce Monte Carlo (MC) molecular simulation results of the canonical (single-phase) and the NVT-Gibbs (two-phase) ensembles for a system of normalized structureless Lennard

  8. Clinical Trials With Large Numbers of Variables: Important Advantages of Canonical Analysis.

    Science.gov (United States)

    Cleophas, Ton J

    2016-01-01

    Canonical analysis assesses the combined effects of a set of predictor variables on a set of outcome variables, but it is little used in clinical trials despite the omnipresence of multiple variables. The aim of this study was to assess the performance of canonical analysis as compared with traditional multivariate methods using multivariate analysis of covariance (MANCOVA). As an example, a simulated data file with 12 gene expression levels and 4 drug efficacy scores was used. The correlation coefficient between the 12 predictor and 4 outcome variables was 0.87 (P = 0.0001) meaning that 76% of the variability in the outcome variables was explained by the 12 covariates. Repeated testing after the removal of 5 unimportant predictor and 1 outcome variable produced virtually the same overall result. The MANCOVA identified identical unimportant variables, but it was unable to provide overall statistics. (1) Canonical analysis is remarkable, because it can handle many more variables than traditional multivariate methods such as MANCOVA can. (2) At the same time, it accounts for the relative importance of the separate variables, their interactions and differences in units. (3) Canonical analysis provides overall statistics of the effects of sets of variables, whereas traditional multivariate methods only provide the statistics of the separate variables. (4) Unlike other methods for combining the effects of multiple variables such as factor analysis/partial least squares, canonical analysis is scientifically entirely rigorous. (5) Limitations include that it is less flexible than factor analysis/partial least squares, because only 2 sets of variables are used and because multiple solutions instead of one is offered. We do hope that this article will stimulate clinical investigators to start using this remarkable method.

  9. Measurements of the Canonical Helicity Evolution of a Gyrating Kinked Flux Rope

    Science.gov (United States)

    von der Linden, J.; Sears, J.; Intrator, T.; You, S.

    2017-12-01

    Magnetic structures in the solar corona and planetary magnetospheres are often modelled as magnetic flux ropes governed by magnetohydrodynamics (MHD); however, inside these structures, as exhibited in reconnection, conversions between magnetic and kinetic energies occur over a wide range of scales. Flux ropes based on the flux of canonical momentum circulation extend the flux rope concept to include effects of finite particle momentum and present the distinct advantage of reconciling all plasma regimes - e.g. kinetic, two-fluid, and MHD - with the topological concept of helicity: twists, writhes, and linkages. This presentation shows the first visualization and analysis of the 3D dynamics of canonical flux ropes and their relative helicity evolution from laboratory measurements. Ion and electron canonical flux ropes are visualized from a dataset of Mach, triple, and Ḃ probe measurements at over 10,000 spatial locations of a gyrating kinked flux rope. The flux ropes co-gyrate with the peak density and electron temperature in and out of a measurement volume. The electron and ion canonical flux ropes twist with opposite handedness and the ion flux ropes writhe around the electron flux ropes. The relative cross helicity between the magnetic and ion flow vorticity flux ropes dominates the relative ion canonical helicity and is anti-correlated with the relative magnetic helicity. The 3D nature of the kink and a reverse eddy current affect the helicity evolution. This work is supported by DOE Grant DE-SC0010340 and the DOE Office of Science Graduate Student Research Program and prepared in part by LLNL under Contract DE-AC52-07NA27344. LLNL-ABS-735426

  10. Canonical analysis of non-relativistic particle and superparticle

    Energy Technology Data Exchange (ETDEWEB)

    Kluson, Josef [Masaryk University, Department of Theoretical Physics and Astrophysics, Faculty of Science, Brno (Czech Republic)

    2018-02-15

    We perform canonical analysis of non-relativistic particle in Newton-Cartan Background. Then we extend this analysis to the case of non-relativistic superparticle in the same background. We determine constraints structure of this theory and find generator of κ-symmetry. (orig.)

  11. Grand unified theories

    International Nuclear Information System (INIS)

    Langacker, P.

    1981-01-01

    In this talk I discuss the present status of these theories and of their observational and experimental implications. In section II, I briefly review the standard SU 3 sup(c) x SU 2 x U 1 model of the strong and electroweak interactions. Although phenomenologically successful, the standard model leaves many questions unanswered. Some of these questions are addressed by grand unified theories, which are defined and discussed in Section III. The Georgi-Glashow SU 5 model is described, as are theories based on larger groups such as SO 10 , E 6 , or SO 16 . It is emphasized that there are many possible grand unified theories and that it is an experimental problem not only to test the basic ideas but to discriminate between models. (orig./HSI)

  12. Relationship between organisational commitment and burnout syndrome: a canonical correlation approach.

    Science.gov (United States)

    Enginyurt, Ozgur; Cankaya, Soner; Aksay, Kadir; Tunc, Taner; Koc, Bozkurt; Bas, Orhan; Ozer, Erdal

    2016-04-01

    Objective Burnout syndrome can significantly reduce the performance of health workers. Although many factors have been identified as antecedents of burnout, few studies have investigated the role of organisational commitment in its development. The purpose of the present study was to examine the relationships between subdimensions of burnout syndrome (emotional exhaustion, depersonalisation and personal accomplishment) and subdimensions of organisational commitment (affective commitment, continuance commitment and normative commitment). Methods The present study was a cross-sectional survey of physicians and other healthcare employees working in the Ministry of Health Ordu University Education and Research Hospital. The sample consisted of 486 healthcare workers. Data were collected using the Maslach Burnout Inventory and the Organisation Commitment Scale, and were analysed using the canonical correlation approach. Results The first of three canonical correlation coefficients between pairs of canonical variables (Ui , burnout syndrome and Vi, organisational commitment) was found to be statistically significant. Emotional exhaustion was found to contribute most towards the explanatory capacity of canonical variables estimated from the subdimensions of burnout syndrome, whereas affective commitment provided the largest contribution towards the explanatory capacity of canonical variables estimated from the subdimensions of organisational commitment. Conclusions The results of the present study indicate that affective commitment is the primary determinant of burnout syndrome in healthcare professionals. What is known about the topic? Organisational commitment and burnout syndrome are the most important criteria in predicting health workforce performance. An increasing number of studies in recent years have clearly indicated the field's continued relevance and importance. Conversely, canonical correlation analysis (CCA) is a technique for describing the relationship

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

    Science.gov (United States)

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

    2015-06-14

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

  14. Multiset canonical correlations analysis and multispectral, truly multitemporal remote sensing data.

    Science.gov (United States)

    Nielsen, Allan Aasbjerg

    2002-01-01

    This paper describes two- and multiset canonical correlations analysis (CCA) for data fusion, multisource, multiset, or multitemporal exploratory data analysis. These techniques transform multivariate multiset data into new orthogonal variables called canonical variates (CVs) which, when applied in remote sensing, exhibit ever-decreasing similarity (as expressed by correlation measures) over sets consisting of 1) spectral variables at fixed points in time (R-mode analysis), or 2) temporal variables with fixed wavelengths (T-mode analysis). The CVs are invariant to linear and affine transformations of the original variables within sets which means, for example, that the R-mode CVs are insensitive to changes over time in offset and gain in a measuring device. In a case study, CVs are calculated from Landsat Thematic Mapper (TM) data with six spectral bands over six consecutive years. Both Rand T-mode CVs clearly exhibit the desired characteristic: they show maximum similarity for the low-order canonical variates and minimum similarity for the high-order canonical variates. These characteristics are seen both visually and in objective measures. The results from the multiset CCA R- and T-mode analyses are very different. This difference is ascribed to the noise structure in the data. The CCA methods are related to partial least squares (PLS) methods. This paper very briefly describes multiset CCA-based multiset PLS. Also, the CCA methods can be applied as multivariate extensions to empirical orthogonal functions (EOF) techniques. Multiset CCA is well-suited for inclusion in geographical information systems (GIS).

  15. Infants' Recognition of Objects Using Canonical Color

    Science.gov (United States)

    Kimura, Atsushi; Wada, Yuji; Yang, Jiale; Otsuka, Yumiko; Dan, Ippeita; Masuda, Tomohiro; Kanazawa, So; Yamaguchi, Masami K.

    2010-01-01

    We explored infants' ability to recognize the canonical colors of daily objects, including two color-specific objects (human face and fruit) and a non-color-specific object (flower), by using a preferential looking technique. A total of 58 infants between 5 and 8 months of age were tested with a stimulus composed of two color pictures of an object…

  16. DNA pattern recognition using canonical correlation algorithm

    Indian Academy of Sciences (India)

    2015-09-28

    Sep 28, 2015 ... were considered as the two views, and statistically significant relationships were established between these two ... Canonical correlation analysis is to find two sets of basis ..... Jing XY, Li S, Lan C, Zhang D, Yang JY and Liu Q 2011 Color ... Yu S, Yu K, Tresp V and Kriegel HP 2006 Multi-output regularized.

  17. Denominator function for canonical SU(3) tensor operators

    International Nuclear Information System (INIS)

    Biedenharn, L.C.; Lohe, M.A.; Louck, J.D.

    1985-01-01

    The definition of a canonical unit SU(3) tensor operator is given in terms of its characteristic null space as determined by group-theoretic properties of the intertwining number. This definition is shown to imply the canonical splitting conditions used in earlier work for the explicit and unique (up to +- phases) construction of all SU(3) WCG coefficients (Wigner--Clebsch--Gordan). Using this construction, an explicit SU(3)-invariant denominator function characterizing completely the canonically defined WCG coefficients is obtained. It is shown that this denominator function (squared) is a product of linear factors which may be obtained explicitly from the characteristic null space times a ratio of polynomials. These polynomials, denoted G/sup t//sub q/, are defined over three (shift) parameters and three barycentric coordinates. The properties of these polynomials (hence, of the corresponding invariant denominator function) are developed in detail: These include a derivation of their degree, symmetries, and zeros. The symmetries are those induced on the shift parameters and barycentric coordinates by the transformations of a 3 x 3 array under row interchange, column interchange, and transposition (the group of 72 operations leaving a 3 x 3 determinant invariant). Remarkably, the zeros of the general G/sup t//sub q/ polynomial are in position and multiplicity exactly those of the SU(3) weight space associated with irreducible representation [q-1,t-1,0]. The results obtained are an essential step in the derivation of a fully explicit and comprehensible algebraic expression for all SU(3) WCG coefficients

  18. 2010 Panel on the Biomaterials Grand Challenges

    Science.gov (United States)

    Reichert, William “Monty”; Ratner, Buddy D.; Anderson, James; Coury, Art; Hoffman, Allan S.; Laurencin, Cato T.; Tirrell, David

    2014-01-01

    In 2009, the National Academy for Engineering issued the Grand Challenges for Engineering in the 21st Century comprised of 14 technical challenges that must be addressed to build a healthy, profitable, sustainable, and secure global community (http://www.engineeringchallenges.org). Although crucial, none of the NEA Grand Challenges adequately addressed the challenges that face the biomaterials community. In response to the NAE Grand Challenges, Monty Reichert of Duke University organized a panel entitled Grand Challenges in Biomaterials at the at the 2010 Society for Biomaterials Annual Meeting in Seattle. Six members of the National Academies—Buddy Ratner, James Anderson, Allan Hoffman, Art Coury, Cato Laurencin, and David Tirrell—were asked to propose a grand challenge to the audience that, if met, would significantly impact the future of biomaterials and medical devices. Successfully meeting these challenges will speed the 60-plus year transition from commodity, off-the-shelf biomaterials to bioengineered chemistries, and biomaterial devices that will significantly advance our ability to address patient needs and also to create new market opportunities. PMID:21171147

  19. Incorporation of charge transfer into the explicit polarization fragment method by grand canonical density functional theory.

    Science.gov (United States)

    Isegawa, Miho; Gao, Jiali; Truhlar, Donald G

    2011-08-28

    Molecular fragmentation algorithms provide a powerful approach to extending electronic structure methods to very large systems. Here we present a method for including charge transfer between molecular fragments in the explicit polarization (X-Pol) fragment method for calculating potential energy surfaces. In the conventional X-Pol method, the total charge of each fragment is preserved, and charge transfer between fragments is not allowed. The description of charge transfer is made possible by treating each fragment as an open system with respect to the number of electrons. To achieve this, we applied Mermin's finite temperature method to the X-Pol wave function. In the application of this method to X-Pol, the fragments are open systems that partially equilibrate their number of electrons through a quasithermodynamics electron reservoir. The number of electrons in a given fragment can take a fractional value, and the electrons of each fragment obey the Fermi-Dirac distribution. The equilibrium state for the electrons is determined by electronegativity equalization with conservation of the total number of electrons. The amount of charge transfer is controlled by re-interpreting the temperature parameter in the Fermi-Dirac distribution function as a coupling strength parameter. We determined this coupling parameter so as to reproduce the charge transfer energy obtained by block localized energy decomposition analysis. We apply the new method to ten systems, and we show that it can yield reasonable approximations to potential energy profiles, to charge transfer stabilization energies, and to the direction and amount of charge transferred. © 2011 American Institute of Physics

  20. BROMOCEA Code: An Improved Grand Canonical Monte Carlo/Brownian Dynamics Algorithm Including Explicit Atoms.

    Science.gov (United States)

    Solano, Carlos J F; Pothula, Karunakar R; Prajapati, Jigneshkumar D; De Biase, Pablo M; Noskov, Sergei Yu; Kleinekathöfer, Ulrich

    2016-05-10

    All-atom molecular dynamics simulations have a long history of applications studying ion and substrate permeation across biological and artificial pores. While offering unprecedented insights into the underpinning transport processes, MD simulations are limited in time-scales and ability to simulate physiological membrane potentials or asymmetric salt solutions and require substantial computational power. While several approaches to circumvent all of these limitations were developed, Brownian dynamics simulations remain an attractive option to the field. The main limitation, however, is an apparent lack of protein flexibility important for the accurate description of permeation events. In the present contribution, we report an extension of the Brownian dynamics scheme which includes conformational dynamics. To achieve this goal, the dynamics of amino-acid residues was incorporated into the many-body potential of mean force and into the Langevin equations of motion. The developed software solution, called BROMOCEA, was applied to ion transport through OmpC as a test case. Compared to fully atomistic simulations, the results show a clear improvement in the ratio of permeating anions and cations. The present tests strongly indicate that pore flexibility can enhance permeation properties which will become even more important in future applications to substrate translocation.

  1. ‘Praise beyond Words’: Psalm 150 as grand finale of the crescendo in the Psalter

    Directory of Open Access Journals (Sweden)

    Dirk J. Human

    2011-04-01

    Full Text Available Without doubt the final hymn of the Psalter can be described as the climax, or grand finale, of the Israelite faith’s most known hymnbook. In this psalm, sound and action are blended into a picture of ecstatic joy. The whole universe is called upon to magnify Yah(weh, the God of Israel. The text poses various exegetical challenges. In the past, Psalm 150 was traditionally analysed as a single text; but with the advent of the canonical and redactionhistorical approaches to the interpretation of the Book of Psalms, Psalm 150 can be interpreted as part of the final Hallel (Pss 146–150, or Book V (Pss 107–150 of the Psalter. This view opens up new possibilities for reading the psalm in broader contexts and its broader literary context(s illuminate its theological significance. This article is an attempt at reflecting on the psalm’s context(s, structure, Gattung and dates of origin, tradition-historical relations to the Pentateuch, Psalms and other Old Testament texts. Ultimately some reflections on the psalm’s theological significance will be suggested.

  2. Canonical Duality Theory for Topology Optimization

    OpenAIRE

    Gao, David Yang

    2016-01-01

    This paper presents a canonical duality approach for solving a general topology optimization problem of nonlinear elastic structures. By using finite element method, this most challenging problem can be formulated as a mixed integer nonlinear programming problem (MINLP), i.e. for a given deformation, the first-level optimization is a typical linear constrained 0-1 programming problem, while for a given structure, the second-level optimization is a general nonlinear continuous minimization pro...

  3. Canonical analysis of sentinel-1 radar and sentinel-2 optical data

    DEFF Research Database (Denmark)

    Nielsen, Allan Aasbjerg; Larsen, Rasmus

    2017-01-01

    This paper gives results from joint analyses of dual polarimety synthetic aperture radar data from the Sentinel-1 mission and optical data from the Sentinel-2 mission. The analyses are carried out by means of traditional canonical correlation analysis (CCA) and canonical information analysis (CIA......). Where CCA is based on maximising correlation between linear combinations of the two data sets, CIA maximises mutual information between the two. CIA is a conceptually more pleasing method for the analysis of data with very different modalities such as radar and optical data. Although a little...

  4. Canonical treatment of the rocket with friction linear in the velocity

    International Nuclear Information System (INIS)

    Campos, I; Jimenez, J L; Valle, G del

    2003-01-01

    We show that the problem of the rocket with friction linear in the velocity can be treated by canonical methods. In order to achieve this we must abandon the restriction to natural Lagrangians of the form L = T - V, and use the method of S-equivalent Lagrangians. We also solve the problem with constant gravity. This example may be useful for the teaching of the application of canonical methods to dissipative systems, as well as to the teaching of the use of the method of S-equivalent Lagrangians

  5. Quantum correction and ordering parameter for systems connected by a general point canonical transformation

    International Nuclear Information System (INIS)

    Yeon, Kyu Hwang; Hong, Suc Kyoung; Um, Chung In; George, Thomas F.

    2006-01-01

    With quantum operators corresponding to functions of the canonical variables, Schroedinger equations are constructed for systems corresponding to classical systems connected by a general point canonical transformation. Using the operator connecting quantum states between systems before and after the transformation, the quantum correction term and ordering parameter are obtained

  6. Información molecular obtenida a partir de pieles de la colección del Museo Regional Fagnano, Río Grande, Tierra del Fuego

    Directory of Open Access Journals (Sweden)

    Petrigh, Romi

    2014-10-01

    Full Text Available En el presente trabajo se aplicaron técnicas moleculares sobre muestras poco conservadas de pieles depositadas en la colección del Museo Regional Monseñor Fagnano, Tierra del Fuego, Argentina, con el objetivo de identificar la especie con la que fueron confeccionadas. Se extrajeron pelos de mantas realizadas con pieles de guanaco (Lama guanicoe por Selk’nam y de una piel de puma (Puma concolor procedente de la provincia de Santa Cruz. Ambas muestras se encontraban almacenadas en el Museo Regional Monseñor Fagnano y en la Misión Salesiana Candelaria en Rio Grande, Tierra del Fuego, Argentina. La extracción de ADN de los fragmentos de pelos de 5mm de longitud se realizó en un buffer de lisis PCR-compatible. Se amplificaron por PCR fragmentos específicos de ADN mitocondrial y se secuenciaron. Las secuencias fueron comparadas con las depositadas en la base de secuencias de nucleótidos del National Center for Biotechnology Information (NCBI de Estados Unidos. La aplicación de técnicas moleculares permitió recuperar secuencias de ADN de muestras de pieles con un estado de conservación poco óptimo para análisis genéticos, pudiendo extenderse a otras fuentes de pelos como las fibras textiles de origen arqueológico de la región.

  7. Bach, Beethoven, Bourdieu: "Cultural Capital" and the Scholastic Canon in England's A-Level Examinations

    Science.gov (United States)

    Legg, Robert

    2012-01-01

    This article applies Bourdieu's notion of "cultural capital" to historical, documentary research which investigates the construction of a scholastic canon within England's A-level music examinations. A digest of the ways in which this canon evolved between 1951 and 1986 is presented in support of the idea that examiners' responses to…

  8. Black-hole horizons in modified spacetime structures arising from canonical quantum gravity

    International Nuclear Information System (INIS)

    Bojowald, Martin; Paily, George M; Reyes, Juan D; Tibrewala, Rakesh

    2011-01-01

    Several properties of canonical quantum gravity modify spacetime structures, sometimes to the degree that no effective line elements exist to describe the geometry. An analysis of solutions, for instance in the context of black holes, then requires new insights. In this paper, standard definitions of horizons in spherical symmetry are first reformulated canonically, and then evaluated for solutions of equations and constraints modified by inverse-triad corrections of loop quantum gravity. When possible, a spacetime analysis is performed which reveals a mass threshold for black holes and small changes to Hawking radiation. For more general conclusions, canonical perturbation theory is developed to second order to include back-reaction from matter. The results shed light on the questions of whether renormalization of Newton's constant or other modifications of horizon conditions should be taken into account in computations of black-hole entropy in loop quantum gravity.

  9. The Canon, the Web, and the Long Tail

    DEFF Research Database (Denmark)

    Sanderhoff, Merete

    2017-01-01

    This article argues that releasing images of artworks into the public domain creates a new possibility for the public to challenge the canon or create their own, based on access to previously inaccessible images. Through the dissemination of openly licensed artworks across the Internet, museums c...

  10. Molecular diversity and genetic relationships in Secale

    Indian Academy of Sciences (India)

    The objective of this study was to quantify the molecular diversity and to determine the genetic relationships amongSecalespp. and among cultivars ofSecale ... Faculty of Sciences, Campo Grande, Lisboa, Portugal; Departamento de Genética, Facultad de Biologia, Universidad Complutense, C/ José Antonio Novais, 12, ...

  11. Lie algebras under constraints and nonbijective canonical transformations

    International Nuclear Information System (INIS)

    Kibler, M.; Winternitz, P.

    1987-10-01

    The concept of a Lie algebra under constraints is developed in connection with the theory of nonbijective canonical transformations. A finite dimensional vector space M, carrying a faithful linear representation of a Lie algebra L, is mapped into a lower dimensional space antiM in such a maner that a subalgebra L 0 of L is mapped into D(L 0 ) = 0. The Lie algebra L under the constraint D(L 0 ) = 0 is the largest subalgebra L 1 of L that can be represented faithfully on antiM. If L 0 is semi-simple, then L 1 is shown to be the centraliser cent L L 0 . If L is semi-simple and L 0 is an one-dimensional diagonal subalgebra of a Cartan subalgebra of L, then L 1 is shown to be the factor algebra cent L L 0 /L 0 . The latter two results are applied to nonbijective canonical transformations generalizing the Kustaanheimo-Stiefel transformation

  12. Canonical Wnt signaling maintains the quiescent stage of hepatic stellate cells

    International Nuclear Information System (INIS)

    Kordes, Claus; Sawitza, Iris; Haeussinger, Dieter

    2008-01-01

    It is well known that hepatic stellate cells (HSC) develop into cells, which are thought to contribute to liver fibrogenesis. Recent data suggest that HSC are progenitor cells with the capacity to differentiate into cells of endothelial and hepatocyte lineages. The present study shows that β-catenin-dependent canonical Wnt signaling is active in freshly isolated HSC of rats. Mimicking of the canonical Wnt pathway in cultured HSC by TWS119, an inhibitor of the glycogen synthase kinase 3β, led to reduced β-catenin phosphorylation, induced nuclear translocation of β-catenin, elevated glutamine synthetase production, impeded synthesis of α-smooth muscle actin and Wnt5a, but promoted the expression of glial fibrillary acidic protein, Wnt10b, and paired-like homeodomain transcription factor 2c. In addition, canonical Wnt signaling lowered DNA synthesis and hindered HSC from entering the cell cycle. The findings demonstrate that β-catenin-dependent Wnt signaling maintains the quiescent state of HSC and, similar to stem and progenitor cells, influences their developmental fate

  13. BOOK REVIEW: Canonical Gravity and Applications: Cosmology, Black Holes, and Quantum Gravity Canonical Gravity and Applications: Cosmology, Black Holes, and Quantum Gravity

    Science.gov (United States)

    Husain, Viqar

    2012-03-01

    Research on quantum gravity from a non-perturbative 'quantization of geometry' perspective has been the focus of much research in the past two decades, due to the Ashtekar-Barbero Hamiltonian formulation of general relativity. This approach provides an SU(2) gauge field as the canonical configuration variable; the analogy with Yang-Mills theory at the kinematical level opened up some research space to reformulate the old Wheeler-DeWitt program into what is now known as loop quantum gravity (LQG). The author is known for his work in the LQG approach to cosmology, which was the first application of this formalism that provided the possibility of exploring physical questions. Therefore the flavour of the book is naturally informed by this history. The book is based on a set of graduate-level lectures designed to impart a working knowledge of the canonical approach to gravitation. It is more of a textbook than a treatise, unlike three other recent books in this area by Kiefer [1], Rovelli [2] and Thiemann [3]. The style and choice of topics of these authors are quite different; Kiefer's book provides a broad overview of the path integral and canonical quantization methods from a historical perspective, whereas Rovelli's book focuses on philosophical and formalistic aspects of the problems of time and observables, and gives a development of spin-foam ideas. Thiemann's is much more a mathematical physics book, focusing entirely on the theory of representing constraint operators on a Hilbert space and charting a mathematical trajectory toward a physical Hilbert space for quantum gravity. The significant difference from these books is that Bojowald covers mainly classical topics until the very last chapter, which contains the only discussion of quantization. In its coverage of classical gravity, the book has some content overlap with Poisson's book [4], and with Ryan and Shepley's older work on relativistic cosmology [5]; for instance the contents of chapter five of the

  14. Multi-scale Modeling of Compressible Single-phase Flow in Porous Media using Molecular Simulation

    KAUST Repository

    Saad, Ahmed Mohamed

    2016-01-01

    potential model that accounts for the molecular quadrupole moment of fluids with non-spherical molecules such as CO2. The potential model was used to simulate the thermodynamic equilibrium properties for single-phase and two-phase systems using the canonical

  15. Rac1 modulates mammalian lung branching morphogenesis in part through canonical Wnt signaling.

    Science.gov (United States)

    Danopoulos, Soula; Krainock, Michael; Toubat, Omar; Thornton, Matthew; Grubbs, Brendan; Al Alam, Denise

    2016-12-01

    Lung branching morphogenesis relies on a number of factors, including proper epithelial cell proliferation and differentiation, cell polarity, and migration. Rac1, a small Rho GTPase, orchestrates a number of these cellular processes, including cell proliferation and differentiation, cellular alignment, and polarization. Furthermore, Rac1 modulates both noncanonical and canonical Wnt signaling, important pathways in lung branching morphogenesis. Culture of embryonic mouse lung explants in the presence of the Rac1 inhibitor (NSC23766) resulted in a dose-dependent decrease in branching. Increased cell death and BrdU uptake were notably seen in the mesenchyme, while no direct effect on the epithelium was observed. Moreover, vasculogenesis was impaired following Rac1 inhibition as shown by decreased Vegfa expression and impaired LacZ staining in Flk1-Lacz reporter mice. Rac1 inhibition decreased Fgf10 expression in conjunction with many of its associated factors. Moreover, using the reporter lines TOPGAL and Axin2-LacZ, there was an evident decrease in canonical Wnt signaling in the explants treated with the Rac1 inhibitor. Activation of canonical Wnt pathway using WNT3a or WNT7b only partially rescued the branching inhibition. Moreover, these results were validated on human explants, where Rac1 inhibition resulted in impaired branching and decreased AXIN2 and FGFR2b expression. We therefore conclude that Rac1 regulates lung branching morphogenesis, in part through canonical Wnt signaling. However, the exact mechanisms by which Rac1 interacts with canonical Wnt in human and mouse lung requires further investigation. Copyright © 2016 the American Physiological Society.

  16. New Wang-Landau approach to obtain phase diagrams for multicomponent alloys

    Science.gov (United States)

    Takeuchi, Kazuhito; Tanaka, Ryohei; Yuge, Koretaka

    2017-10-01

    We develop an approach to apply the Wang-Landau algorithm to multicomponent alloys in a semi-grand-canonical ensemble. Although the Wang-Landau algorithm has great advantages over conventional sampling methods, there are few applications to alloys. This is because calculating compositions in a semi-grand-canonical ensemble via the Wang-Landau algorithm requires a multidimensional density of states in terms of total energy and compositions, and constructing it is difficult from the viewpoints of both implementation and computational cost. In this study, we develop a simple approach to calculate the alloy phase diagram based on the Wang-Landau algorithm, and show that a number of one-dimensional densities of states could lead to compositions in a semi-grand-canonical ensemble as a multidimensional density of states could. Finally, we apply the present method to Cu-Au and Pd-Rh alloys and confirm that the present method successfully describes the phase diagram with high efficiency, validity, and accuracy.

  17. Grand Mal Seizure

    Science.gov (United States)

    ... grand mal seizures include: A family history of seizure disorders Any injury to the brain from trauma, a ... the risk of birth defects. If you have epilepsy and plan to become pregnant, work with your ...

  18. Low-rank canonical-tensor decomposition of potential energy surfaces: application to grid-based diagrammatic vibrational Green's function theory

    Science.gov (United States)

    Rai, Prashant; Sargsyan, Khachik; Najm, Habib; Hermes, Matthew R.; Hirata, So

    2017-09-01

    A new method is proposed for a fast evaluation of high-dimensional integrals of potential energy surfaces (PES) that arise in many areas of quantum dynamics. It decomposes a PES into a canonical low-rank tensor format, reducing its integral into a relatively short sum of products of low-dimensional integrals. The decomposition is achieved by the alternating least squares (ALS) algorithm, requiring only a small number of single-point energy evaluations. Therefore, it eradicates a force-constant evaluation as the hotspot of many quantum dynamics simulations and also possibly lifts the curse of dimensionality. This general method is applied to the anharmonic vibrational zero-point and transition energy calculations of molecules using the second-order diagrammatic vibrational many-body Green's function (XVH2) theory with a harmonic-approximation reference. In this application, high dimensional PES and Green's functions are both subjected to a low-rank decomposition. Evaluating the molecular integrals over a low-rank PES and Green's functions as sums of low-dimensional integrals using the Gauss-Hermite quadrature, this canonical-tensor-decomposition-based XVH2 (CT-XVH2) achieves an accuracy of 0.1 cm-1 or higher and nearly an order of magnitude speedup as compared with the original algorithm using force constants for water and formaldehyde.

  19. Grand-Bassam

    African Journals Online (AJOL)

    Geo

    l'estuaire du fleuve Comoé (Grand-Bassam, Côte d'Ivoire). Kouassi Laurent ADOPO1*, Apie Colette AKOBE1, Etche Mireille AMANI2,. Sylvain MONDE3 et Kouamé AKA3. (1)Laboratoire de Géologie Marine, Sédimentologie et Environnement, Centre de Recherche en Ecologie,. Université Felix Houphouet Boigny Abidjan, ...

  20. Geometry of real and complex canonical transformations in quantum mechanics

    International Nuclear Information System (INIS)

    Grossmann, A.

    1977-08-01

    Quantum mechanics of finitely many particles involves the group of linear (and affine) canonical transformations. A well-defined ray representation of this group acts in the space of states of any quantum-mechanical system with finitely many degrees of freedom and plays a central role in many different contexts. This representation appears quite naturally in quantum mechanics over phase space (Weyl-Wigner correspondence), that it becomes, when suitably written, just a matter of looking at one object from different symplectic reference frames. This is particularly interesting for complex canonical transformations which are represented by unbounded operators. The list of references gives an idea of the variety of motivations and points of view in the subject

  1. A Problem-Centered Approach to Canonical Matrix Forms

    Science.gov (United States)

    Sylvestre, Jeremy

    2014-01-01

    This article outlines a problem-centered approach to the topic of canonical matrix forms in a second linear algebra course. In this approach, abstract theory, including such topics as eigenvalues, generalized eigenspaces, invariant subspaces, independent subspaces, nilpotency, and cyclic spaces, is developed in response to the patterns discovered…

  2. Publication bias and the canonization of false facts

    DEFF Research Database (Denmark)

    Nissen, Silas Boye; Magidson, Tali; Gross, Kevin

    2016-01-01

    canonized as fact. Data-dredging, p-hacking, and similar behaviors exacerbate the problem. Should negative results become easier to publish as a claim approaches acceptance as a fact, however, true and false claims would be more readily distinguished. To the degree that the model reflects the real world...

  3. A Grande Reportagem no contexto informativo SIC

    OpenAIRE

    Colaço, Vanessa Alexandra Francisco

    2014-01-01

    Os telespectadores querem ver grandes reportagens? Como evoluíram as audiências da Grande Reportagem SIC? É este o produto premium da estação? Terá este formato um investimento e continuidade garantidas? Estas são algumas das questões formuladas e às quais se procurou dar resposta neste Relatório de Estágio. Neste trabalho traça-se o perfil do programa Grande Reportagem SIC, clarificando a linha editorial que lhe serviu de base, procurando perceber as suas dinâmicas e passando em revista mome...

  4. Supersymmetry and supergravity: Phenomenology and grand unification

    International Nuclear Information System (INIS)

    Arnowitt, R.; Nath, P.

    1993-01-01

    A survey is given of supersymmetry and supergravity and their phenomenology. Some of the topics discussed are the basic ideas of global supersymmetry, the minimal supersymmetric Standard Model (MSSM) and its phenomenology, the basic ideas of local supersymmetry (supergravity), grand unification, supersymmetry breaking in supergravity grand unified models, radiative breaking of SU(2) x U(1), proton decay, cosmological constraints, and predictions of supergravity grand unified models. While the number of detailed derivations are necessarily limited, a sufficient number of results are given so that a reader can get a working knowledge of this field

  5. ‘Dancing through the Minefield’: Canon Reinstatement Strategies for Women Authors

    Directory of Open Access Journals (Sweden)

    Dascăl Reghina

    2015-12-01

    Full Text Available The paper explores the limiting and detrimental effects of biographical criticism and exceptionalism in the efforts of reinstating women authors into the Renaissance canon, by looking into the literary merits of Elizabeth Cary’s The Tragedy of Mariam, The Fair Queen of Jewry and The History of The Life, Reign and Death of Edward II. Whereas the conflation of biography and fiction is a successful recipe for canonization and for the production of feminist icons, it renders the text impotent because of its resulting inability to compete with or to be seen in correlation and interplay with other contemporary texts.

  6. The Canonical Black Body: Alternative African American Religions and the Disruptive Politics of Sacrality

    Directory of Open Access Journals (Sweden)

    Joseph L. Tucker Edmonds

    2018-01-01

    Full Text Available “The Canonical Black Body” argues that central to the study of African American religions is a focus on the black body and the production and engagement of canons on the sacred black body within the black public sphere. Furthermore, this essay suggests that, by paying attention to alternative African American religions in the twentieth century, we can better engage the relationship between African American religion and the long history of creating these canons on the black body, debating their relationship to black freedom, and circulating the canons to contest the oppressive, exclusive practices of modern democracy. Through a critical engagement of the fields of Black Theology and New Religious Movements and using the resources offered by Delores Williams’ accounts of variety and experience and Vincent Wimbush’s category of signifying, this essay will argue for how a return to the body provides resources and tools for not only theorizing African American religions but thinking about the production and creation of competing black publics, including the important role of alternative black sacred publics.

  7. Power, Gender, and Canon Formation in Mexico

    Directory of Open Access Journals (Sweden)

    Cynthia Steele

    1996-01-01

    Full Text Available I propose to analyze Castellanos's trajectory from marginalized ethnographer and critic of "latino" society, to presidential insider and ambassador, and the first modern Mexican woman writer to be accepted into the literary canon. I will explore the intersection of politics, gender, and the (self- creation of a literary persona with regard to the following issues: 1 the tension between self-exposure and self-censorship in Castellanos's literary work; 2 Castellanos's intense and problematic relationship with her illegitimate, mestizo half-brother; 3 the coincidences and contradictions between Castellanos's journalistic account of her relationship with her servant Maria Escandon, and Maria's own oral history twenty years later; 4 the tension between depression and dependency, on the one hand, and self-assertiveness and audacity, on the other; 5 the relation between Castellanos's role as ambassador and the personal, apolitical, often frivolous character of her journalistic articles written in Israel; 6 the contradictory readings of Castellanos's death, and the respective implications for her place in the canon; and 7 the implications, for their reception, of the love letters published in Cartas a Ricardo 1994, as opposed to 1974.

  8. Study on linear canonical transformation in a framework of a phase space representation of quantum mechanics

    International Nuclear Information System (INIS)

    Raoelina Andriambololona; Ranaivoson, R.T.R.; Rakotoson, H.; Solofoarisina, W.C.

    2015-04-01

    We present a study on linear canonical transformation in the framework of a phase space representation of quantum mechanics that we have introduced in our previous work. We begin with a brief recall about the so called phase space representation. We give the definition of linear canonical transformation with the transformation law of coordinate and momentum operators. We establish successively the transformation laws of mean values, dispersions, basis state and wave functions.Then we introduce the concept of isodispersion linear canonical transformation.

  9. New constraints for canonical general relativity

    International Nuclear Information System (INIS)

    Reisenberger, M.P.

    1995-01-01

    Ashtekar's canonical theory of classical complex Euclidean GR (no Lorentzian reality conditions) is found to be invariant under the full algebra of infinitesimal 4-diffeomorphisms, but non-invariant under some finite proper 4-diffeos when the densitized dreibein, E a i , is degenerate. The breakdown of 4-diffeo invariance appears to be due to the inability of the Ashtekar Hamiltonian to generate births and deaths of E flux loops (leaving open the possibility that a new 'causality condition' forbidding the birth of flux loops might justify the non-invariance of the theory).A fully 4-diffeo invariant canonical theory in Ashtekar's variables, derived from Plebanski's action, is found to have constraints that are stronger than Ashtekar's for rank E< 2. The corresponding Hamiltonian generates births and deaths of E flux loops.It is argued that this implies a finite amplitude for births and deaths of loops in the physical states of quantum GR in the loop representation, thus modifying this (partly defined) theory substantially.Some of the new constraints are second class, leading to difficulties in quantization in the connection representation. This problem might be overcome in a very nice way by transforming to the classical loop variables, or the 'Faraday line' variables of Newman and Rovelli, and then solving the offending constraints.Note that, though motivated by quantum considerations, the present paper is classical in substance. (orig.)

  10. Canonical Groups for Quantization on the Two-Dimensional Sphere and One-Dimensional Complex Projective Space

    International Nuclear Information System (INIS)

    Sumadi A H A; H, Zainuddin

    2014-01-01

    Using Isham's group-theoretic quantization scheme, we construct the canonical groups of the systems on the two-dimensional sphere and one-dimensional complex projective space, which are homeomorphic. In the first case, we take SO(3) as the natural canonical Lie group of rotations of the two-sphere and find all the possible Hamiltonian vector fields, and followed by verifying the commutator and Poisson bracket algebra correspondences with the Lie algebra of the group. In the second case, the same technique is resumed to define the Lie group, in this case SU (2), of CP'.We show that one can simply use a coordinate transformation from S 2 to CP 1 to obtain all the Hamiltonian vector fields of CP 1 . We explicitly show that the Lie algebra structures of both canonical groups are locally homomorphic. On the other hand, globally their corresponding canonical groups are acting on different geometries, the latter of which is almost complex. Thus the canonical group for CP 1 is the double-covering group of SO(3), namely SU(2). The relevance of the proposed formalism is to understand the idea of CP 1 as a space of where the qubit lives which is known as a Bloch sphere

  11. ACTIVITY OF CANONICAL WNT SIGNAL SYSTEM IN HYALINE CARTILAGE ARTICULAR CHONDROCYTES IN PROCESS OF SYNOVIAL JOINT DEVELOPMENT

    Directory of Open Access Journals (Sweden)

    A.O. Molotkov

    2009-03-01

    Full Text Available Canonical and non-canonical Wnt systems are essential regulators of chondrogenesis and bone development. However, the roles of these systems in synovial joint development are not well studied. To determine if canonical Wnt system is active in developing articular chondrocytes we used immunohistochemistry for в-galactosidase and doublecortin (cell-type specific marker for articular chondrocytes to double label sections through joint regions of E14.5, E18.5, P10 and adult mice. Here the following results are presented. Canonical Wnt signal system does not work in developing articular chondrocytes at early embryonic stages (E14.5; it is active in the articular chondrocytes at late embryonic stages (E16.5-E18.5 and during postnatal development (P7-P10, but is turned off again in the adult articular chondrocytes. These results suggest that canonical Wnt signaling is being regulated during articular chondrocytes differentiation and joint formation.

  12. Application of Canonical Effective Methods to Background-Independent Theories

    Science.gov (United States)

    Buyukcam, Umut

    Effective formalisms play an important role in analyzing phenomena above some given length scale when complete theories are not accessible. In diverse exotic but physically important cases, the usual path-integral techniques used in a standard Quantum Field Theory approach seldom serve as adequate tools. This thesis exposes a new effective method for quantum systems, called the Canonical Effective Method, which owns particularly wide applicability in backgroundindependent theories as in the case of gravitational phenomena. The central purpose of this work is to employ these techniques to obtain semi-classical dynamics from canonical quantum gravity theories. Application to non-associative quantum mechanics is developed and testable results are obtained. Types of non-associative algebras relevant for magnetic-monopole systems are discussed. Possible modifications of hypersurface deformation algebra and the emergence of effective space-times are presented. iii.

  13. Proton hexality in local grand unification

    Energy Technology Data Exchange (ETDEWEB)

    Foerste, Stefan; Nilles, Hans Peter [Bonn Univ. (Germany). Bethe Center for Theoretical Physics and Physikalisches Institut; Ramos-Sanchez, Saul [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Vaudrevange, Patrick K.S. [Muenchen Univ. (Germany). Arnold Sommerfeld Center for Theoretical Physics

    2010-07-15

    Proton hexality is a discrete symmetry that avoids the problem of too fast proton decay in the supersymmetric extension of the standard model. Unfortunately it is inconsistent with conventional grand unification. We show that proton hexality can be incorporated in the scheme of ''Local Grand Unification'' discussed in the framework of model building in (heterotic) string theory. (orig.)

  14. Non-canonical microRNAs miR-320 and miR-702 promote proliferation in Dgcr8-deficient embryonic stem cells

    International Nuclear Information System (INIS)

    Kim, Byeong-Moo; Choi, Michael Y.

    2012-01-01

    Highlights: ► Embryonic stem cells (ESCs) lacking non-canonical miRNAs proliferate slower. ► miR-320 and miR-702 are two non-canonical miRNAs expressed in ESCs. ► miR-320 and miR-702 promote proliferation of Dgcr8-deficient ESCs. ► miR-320 targets p57 and helps to release Dgcr8-deficient ESCs from G1 arrest. ► miR-702 targets p21 and helps to release Dgcr8-deficient ESCs from G1 arrest. -- Abstract: MicroRNAs are known to contribute significantly to stem cell phenotype by post-transcriptionally regulating gene expression. Most of our knowledge of microRNAs comes from the study of canonical microRNAs that require two sequential cleavages by the Drosha/Dgcr8 heterodimer and Dicer to generate mature products. In contrast, non-canonical microRNAs bypass the cleavage by the Drosha/Dgcr8 heterodimer within the nucleus but still require cytoplasmic cleavage by Dicer. The function of non-canonical microRNAs in embryonic stem cells (ESCs) remains obscure. It has been hypothesized that non-canonical microRNAs have important roles in ESCs based upon the phenotypes of ESC lines that lack these specific classes of microRNAs; Dicer-deficient ESCs lacking both canonical and non-canonical microRNAs have much more severe proliferation defect than Dgcr8-deficient ESCs lacking only canonical microRNAs. Using these cell lines, we identified two non-canonical microRNAs, miR-320 and miR-702, that promote proliferation of Dgcr8-deficient ESCs by releasing them from G1 arrest. This is accomplished by targeting the 3′-untranslated regions of the cell cycle inhibitors p57 and p21 and thereby inhibiting their expression. This is the first report of the crucial role of non-canonical microRNAs in ESCs.

  15. Il canone linguistico boccacciano, non senza dissenso

    Directory of Open Access Journals (Sweden)

    Cecilia Casini

    2015-06-01

    Full Text Available Author of prose’s greatest masterpiece of medieval literature in the vernacular, Giovanni Boccaccio was crucial to defining the Italian language canon, especially since Pietro Bembo proposed its coding in the sixteenth century. Not without controversy, however, since shortly after the publication of Prose Della Volgar Language, Bembo presents the first contrasting theories that support the linguistic model presented by Machiavelli

  16. Canonical formulation of IIB D-branes

    International Nuclear Information System (INIS)

    Kamimura, K.

    1998-01-01

    We find Wess-Zumino actions for kappa invariant type IIB D-branes in explicit forms. A simple and compact expression is obtained by the use of spinor variables which are defined as power series of differential forms. Using the Wess-Zumino actions we develop the canonical formulation and find the complete set of the constraint equations for generic type IIB Dp-branes. The conserved global supersymmetry charges are determined and the algebra containing the central charges can be obtained explicitly. (orig.)

  17. Canonical transformations and hamiltonian path integrals

    International Nuclear Information System (INIS)

    Prokhorov, L.V.

    1982-01-01

    Behaviour of the Hamiltonian path integrals under canonical transformations produced by a generator, is investigated. An exact form is determined for the kernel of the unitary operator realizing the corresponding quantum transformation. Equivalence rules are found (the Hamiltonian formalism, one-dimensional case) enabling one to exclude non-standard terms from the action. It is shown that the Hamiltonian path integral changes its form under cononical transformations: in the transformed expression besides the classical Hamiltonian function there appear some non-classical terms

  18. Las cinco grandes dimensiones de la personalidad

    Directory of Open Access Journals (Sweden)

    Jan ter Laak

    1996-12-01

    Full Text Available Este artículo revisa las distintas posiciones teóricas sobre las cinco grandes dimensiones de la personalidad, mostrando las semejanzas y diferencias entre las posturas teóricas. Esta contribución presenta lo siguiente: (a la génesis del contenido y la estructura de las cinco dimensiones; (b la fortaleza de las cinco dimensiones; (e la relación de las cinco grandes dimensiones con otros constructos de personalidad; (d discute el valor predictivo de las puntuaciones del perfil de las cinco dimensiones para criterios pertinentes; (e analiza el estatus teórico de las cinco dimensiones; (f discute críticas históricas sobre las cinco grandes dimensiones y se formulan respuestas a estas críticas; (g hace conjeturas para el futuro de las cinco grandes dimensiones; y (h concluye con algunas conclusiones y comentarios.

  19. An algorithm for calculation of the Jordan canonical form of a matrix

    Science.gov (United States)

    Sridhar, B.; Jordan, D.

    1973-01-01

    Jordan canonical forms are used extensively in the literature on control systems. However, very few methods are available to compute them numerically. Most numerical methods compute a set of basis vectors in terms of which the given matrix is diagonalized when such a change of basis is possible. Here, a simple and efficient method is suggested for computing the Jordan canonical form and the corresponding transformation matrix. The method is based on the definition of a generalized eigenvector, and a natural extension of Gauss elimination techniques.

  20. The generalized Q-S synchronization between the generalized Lorenz canonical form and the Roessler system

    International Nuclear Information System (INIS)

    Yang Yunqing; Chen Yong

    2009-01-01

    In this paper, we investigate the generalized Q-S synchronization between the generalized Lorenz canonical form and the Roessler system. Firstly, we transform an arbitrary generalized Lorenz system to the generalized Lorenz canonical form, and the relation between the parameter of the generalized Lorenz system and the parameter of the generalized Lorenz canonical form are shown. Secondly, we extend the scheme present by [Yan ZY. Chaos 2005;15:023902] to study the generalized Q-S synchronization between the generalized Lorenz canonical form and the Roessler system, the more general controller is obtained. By choosing different parameter in the generalized controller obtained here, without much extra effort, we can get the controller of synchronization between the Chen system and the Roessler system, the Lue system and the Roessler system, the classic Lorenz system and the Roessler system, the Hyperbolic Lorenz system and the Roessler system, respectively. Finally, numerical simulations are used to perform such synchronization and verify the effectiveness of the controller.

  1. A primate specific extra domain in the molecular chaperone Hsp90.

    Directory of Open Access Journals (Sweden)

    Vishwadeepak Tripathi

    Full Text Available Hsp90 (heat shock protein 90 is an essential molecular chaperone that mediates folding and quality control of client proteins. Many of them such as protein kinases, steroid receptors and transcription factors are involved in cellular signaling processes. Hsp90 undergoes an ATP hydrolysis dependent conformational cycle to assist folding of the client protein. The canonical Hsp90 shows a typical composition of three distinct domains and interacts with individual cochaperone partners such as Hop, Cdc37 and Aha1 (activator of Hsp90 ATPase that regulate the reaction cycle of the molecular chaperone. A bioinformatic survey identified an additional domain of 122 amino acids in front of the canonical Hsp90 sequence. This extra domain (E domain is specific to the Catarrhini or drooping nose monkeys, a subdivision of the higher primates that includes man, the great apes and the old world monkeys but is absent from all other species. Our biochemical analysis reveals that Hsp103 associates with cochaperone proteins such as Hop, Cdc37 and Aha1 similar to Hsp90. However, the extra domain reduces the ATP hydrolysis rate to about half when compared to Hsp90 thereby acting as a negative regulator of the molecular chaperonés intrinsic ATPase activity.

  2. On the completeness of the canonical reductions from Kac-Moody to W-algebras

    International Nuclear Information System (INIS)

    McGlinn, W.

    1997-01-01

    We study the question as to whether the canonical reductions of Kac-Moody (KM) algebras to W-algebras are exhaustive. We first review and consolidate previous results. In particular we show that, apart from the two lowest grades, the canonical reductions are the only ones that respect the physically reasonable requirement that the W-algebra have no negative conformal weights. We then break new ground by formulating a condition that the W-algebra be differential polynomial. We apply the condition that the W-algebra be polynomial (in a particular gauge) and primary to the groups SL(N,R) with integral SL(2,R) embeddings. We find that, subject to some reasonable technical assumptions, the canonical reductions are exhaustive (except possibly at grade one). The derivation suggests that similar results hold for the other classes of simple groups. (orig.)

  3. Grand Canyon Monitoring and Research Center

    Science.gov (United States)

    Hamill, John F.

    2009-01-01

    The Grand Canyon of the Colorado River, one of the world's most spectacular gorges, is a premier U.S. National Park and a World Heritage Site. The canyon supports a diverse array of distinctive plants and animals and contains cultural resources significant to the region's Native Americans. About 15 miles upstream of Grand Canyon National Park sits Glen Canyon Dam, completed in 1963, which created Lake Powell. The dam provides hydroelectric power for 200 wholesale customers in six western States, but it has also altered the Colorado River's flow, temperature, and sediment-carrying capacity. Over time this has resulted in beach erosion, invasion and expansion of nonnative species, and losses of native fish. Public concern about the effects of Glen Canyon Dam operations prompted the passage of the Grand Canyon Protection Act of 1992, which directs the Secretary of the Interior to operate the dam 'to protect, mitigate adverse impacts to, and improve values for which Grand Canyon National Park and Glen Canyon National Recreation Area were established...' This legislation also required the creation of a long-term monitoring and research program to provide information that could inform decisions related to dam operations and protection of downstream resources.

  4. Connecting the Canon to Current Young Adult Literature

    Science.gov (United States)

    Rybakova, Katie; Roccanti, Rikki

    2016-01-01

    In this article we discuss the respective roles of young adult literature and literary texts in the secondary level English Language Arts classroom and explore the connections that can be made between popular young adult books and the traditional canon. We provide examples showing how young adult literature bestsellers such as "The Book…

  5. Using k-Mix-Neighborhood Subdigraphs to Compute Canonical Labelings of Digraphs

    Directory of Open Access Journals (Sweden)

    Jianqiang Hao

    2017-02-01

    Full Text Available This paper presents a novel theory and method to calculate the canonical labelings of digraphs whose definition is entirely different from the traditional definition of Nauty. It indicates the mutual relationships that exist between the canonical labeling of a digraph and the canonical labeling of its complement graph. It systematically examines the link between computing the canonical labeling of a digraph and the k-neighborhood and k-mix-neighborhood subdigraphs. To facilitate the presentation, it introduces several concepts including mix diffusion outdegree sequence and entire mix diffusion outdegree sequences. For each node in a digraph G, it assigns an attribute m_NearestNode to enhance the accuracy of calculating canonical labeling. The four theorems proved here demonstrate how to determine the first nodes added into M a x Q ( G . Further, the other two theorems stated below deal with identifying the second nodes added into M a x Q ( G . When computing C m a x ( G , if M a x Q ( G already contains the first i vertices u 1 , u 2 , ⋯ , u i , Diffusion Theorem provides a guideline on how to choose the subsequent node of M a x Q ( G . Besides, the Mix Diffusion Theorem shows that the selection of the ( i + 1 th vertex of M a x Q ( G for computing C m a x ( G is from the open mix-neighborhood subdigraph N + + ( Q of the nodes set Q = { u 1 , u 2 , ⋯ , u i } . It also offers two theorems to calculate the C m a x ( G of the disconnected digraphs. The four algorithms implemented in it illustrate how to calculate M a x Q ( G of a digraph. Through software testing, the correctness of our algorithms is preliminarily verified. Our method can be utilized to mine the frequent subdigraph. We also guess that if there exists a vertex v ∈ S + ( G satisfying conditions C m a x ( G − v ⩽ C m a x ( G − w for each w ∈ S + ( G ∧ w ≠ v , then u 1 = v for M a x Q ( G .

  6. Ligand-independent canonical Wnt activity in canine mammary tumor cell lines associated with aberrant LEF1 expression.

    Directory of Open Access Journals (Sweden)

    Ana Gracanin

    Full Text Available Pet dogs very frequently develop spontaneous mammary tumors and have been suggested as a good model organism for breast cancer research. In order to obtain an insight into underlying signaling mechanisms during canine mammary tumorigenesis, in this study we assessed the incidence and the mechanism of canonical Wnt activation in a panel of 12 canine mammary tumor cell lines. We show that a subset of canine mammary cell lines exhibit a moderate canonical Wnt activity that is dependent on Wnt ligands, similar to what has been described in human breast cancer cell lines. In addition, three of the tested canine mammary cell lines have a high canonical Wnt activity that is not responsive to inhibitors of Wnt ligand secretion. Tumor cell lines with highly active canonical Wnt signaling often carry mutations in key members of the Wnt signaling cascade. These cell lines, however, carry no mutations in the coding regions of intracellular Wnt pathway components (APC, β-catenin, GSK3β, CK1α and Axin1 and have a functional β-catenin destruction complex. Interestingly, however, the cell lines with high canonical Wnt activity specifically overexpress LEF1 mRNA and the knock-down of LEF1 significantly inhibits TCF-reporter activity. In addition, LEF1 is overexpressed in a subset of canine mammary carcinomas, implicating LEF1 in ligand-independent activation of canonical Wnt signaling in canine mammary tumors. We conclude that canonical Wnt activation may be a frequent event in canine mammary tumors both through Wnt ligand-dependent and novel ligand-independent mechanisms.

  7. Autonomy, Submission or Sound Hybridization? The Construction of the Aesthetic Canon of the Spanish Pop-Rock

    Directory of Open Access Journals (Sweden)

    JAVIER NOYA

    2014-01-01

    Full Text Available This paper provides an approach to the aesthetic canon of Spanish pop-rock, which is understood as being the musicians, bands and works which have had the most infl uence on this musical genre in Spain. Using Bourdieu?s sociology of art and its application to popular music studies, surveys have been analysed that were carried out by both Spanish music critics and musicians. The hypothesis posed is whether an autochthonous aesthetic canon exists, and whether this is determined by an Anglo- American influence. From lists or rankings published whether in books or in general or specialist magazines, these data were combined to obtain a meta-ranking, which was tested by using certain statistical tests. From this, some characteristics particular to the Spanish aesthetic canon have been obtained, as well as some which are shared with the Englishspeaking canon.

  8. Free energy and phase equilibria for the restricted primitive model of ionic fluids from Monte Carlo simulations

    International Nuclear Information System (INIS)

    Orkoulas, G.; Panagiotopoulos, A.Z.

    1994-01-01

    In this work, we investigate the liquid--vapor phase transition of the restricted primitive model of ionic fluids. We show that at the low temperatures where the phase transition occurs, the system cannot be studied by conventional molecular simulation methods because convergence to equilibrium is slow. To accelerate convergence, we propose cluster Monte Carlo moves capable of moving more than one particle at a time. We then address the issue of charged particle transfers in grand canonical and Gibbs ensemble Monte Carlo simulations, for which we propose a biased particle insertion/destruction scheme capable of sampling short interparticle distances. We compute the chemical potential for the restricted primitive model as a function of temperature and density from grand canonical Monte Carlo simulations and the phase envelope from Gibbs Monte Carlo simulations. Our calculated phase coexistence curve is in agreement with recent results of Caillol obtained on the four-dimensional hypersphere and our own earlier Gibbs ensemble simulations with single-ion transfers, with the exception of the critical temperature, which is lower in the current calculations. Our best estimates for the critical parameters are T * c =0.053, ρ * c =0.025. We conclude with possible future applications of the biased techniques developed here for phase equilibrium calculations for ionic fluids

  9. Next Generation Innovation Policy and Grand Challenges

    NARCIS (Netherlands)

    Kuhlmann, Stefan; Rip, Arie

    2018-01-01

    The paper explores transformative ways to address Grand Challenges, while locating them in a broader diagnosis of ongoing changes. Coping with Grand Challenges is a challenge in its own right, for policy as well as for science, technology, and innovation actors. The paper presents building blocks

  10. Statistical mechanics of few-particle systems: exact results for two useful models

    Science.gov (United States)

    Miranda, Enrique N.

    2017-11-01

    The statistical mechanics of small clusters (n ˜ 10-50 elements) of harmonic oscillators and two-level systems is studied exactly, following the microcanonical, canonical and grand canonical formalisms. For clusters with several hundred particles, the results from the three formalisms coincide with those found in the thermodynamic limit. However, for clusters formed by a few tens of elements, the three ensembles yield different results. For a cluster with a few tens of harmonic oscillators, when the heat capacity per oscillator is evaluated within the canonical formalism, it reaches a limit value equal to k B , as in the thermodynamic case, while within the microcanonical formalism the limit value is k B (1-1/n). This difference could be measured experimentally. For a cluster with a few tens of two-level systems, the heat capacity evaluated within the canonical and microcanonical ensembles also presents differences that could be detected experimentally. Both the microcanonical and grand canonical formalism show that the entropy is non-additive for systems this small, while the canonical ensemble reaches the opposite conclusion. These results suggest that the microcanonical ensemble is the most appropriate for dealing with systems with tens of particles.

  11. Newton equation for canonical, Lie-algebraic, and quadratic deformation of classical space

    International Nuclear Information System (INIS)

    Daszkiewicz, Marcin; Walczyk, Cezary J.

    2008-01-01

    The Newton equation describing particle motion in a constant external field force on canonical, Lie-algebraic, and quadratic space-time is investigated. We show that for canonical deformation of space-time the dynamical effects are absent, while in the case of Lie-algebraic noncommutativity, when spatial coordinates commute to the time variable, the additional acceleration of the particle is generated. We also indicate that in the case of spatial coordinates commuting in a Lie-algebraic way, as well as for quadratic deformation, there appear additional velocity and position-dependent forces

  12. Canonical particle tracking in undulator fields

    International Nuclear Information System (INIS)

    Wuestefeld, G.; Bahrdt, J.

    1991-01-01

    A new algebraic mapping routine for particle tracking across wiggler and undulator fields in presented. It is based on a power series expansion of the generating function to guarantee fully canonical transformations. This method is 10 to 100 times faster than integration routines, applied in tracking codes like BETA or RACETRACK. The tracking method presented is not restricted to wigglers and undulators, it can be applied to other magnetic fields as well such as fringing fields of quadrupoles or dipoles if the suggested expansion converges

  13. Canonical transformation path to gauge theories of gravity

    Science.gov (United States)

    Struckmeier, J.; Muench, J.; Vasak, D.; Kirsch, J.; Hanauske, M.; Stoecker, H.

    2017-06-01

    In this paper, the generic part of the gauge theory of gravity is derived, based merely on the action principle and on the general principle of relativity. We apply the canonical transformation framework to formulate geometrodynamics as a gauge theory. The starting point of our paper is constituted by the general De Donder-Weyl Hamiltonian of a system of scalar and vector fields, which is supposed to be form-invariant under (global) Lorentz transformations. Following the reasoning of gauge theories, the corresponding locally form-invariant system is worked out by means of canonical transformations. The canonical transformation approach ensures by construction that the form of the action functional is maintained. We thus encounter amended Hamiltonian systems which are form-invariant under arbitrary spacetime transformations. This amended system complies with the general principle of relativity and describes both, the dynamics of the given physical system's fields and their coupling to those quantities which describe the dynamics of the spacetime geometry. In this way, it is unambiguously determined how spin-0 and spin-1 fields couple to the dynamics of spacetime. A term that describes the dynamics of the "free" gauge fields must finally be added to the amended Hamiltonian, as common to all gauge theories, to allow for a dynamic spacetime geometry. The choice of this "dynamics" Hamiltonian is outside of the scope of gauge theory as presented in this paper. It accounts for the remaining indefiniteness of any gauge theory of gravity and must be chosen "by hand" on the basis of physical reasoning. The final Hamiltonian of the gauge theory of gravity is shown to be at least quadratic in the conjugate momenta of the gauge fields—this is beyond the Einstein-Hilbert theory of general relativity.

  14. 28 milliards d’euros, c’est grand comment ?

    OpenAIRE

    Ozer, Pierre; Salmon, Marc; Theunissen, Yannick

    2009-01-01

    J’ouvre mon quotidien. Fortis : 28 milliards d’euros de pertes en 2008. Ma fille de sept ans qui commence à lire et pose sans cesse des questions sur tout me lance : « Dis-moi, papa : 28 milliards d’euros, c’est grand comment ? ». Grande question… Je réfléchis et tente de trouver une parade parlante pour un enfant qui, in fine, se pose les mêmes questions que les grandes personnes.

  15. Canonizing certain Borel equivalences for Silver forcing

    Czech Academy of Sciences Publication Activity Database

    Doucha, Michal

    2012-01-01

    Roč. 159, č. 13 (2012), s. 2973-2979 ISSN 0166-8641. [Prague Symposium on General Topology and its Relations to Modern Analysis and Algebra /11./. Prague, 07.08.2011-12.08.2011] Institutional research plan: CEZ:AV0Z10190503 Keywords : Borel equivalence relations * silver ideal * canonical Ramsey theorem Subject RIV: BA - General Mathematics Impact factor: 0.562, year: 2012 http://www.sciencedirect.com/science/article/pii/S0166864112002180#

  16. Probing the canonicity of the Wnt/Wingless signaling pathway.

    Directory of Open Access Journals (Sweden)

    Alexandra Franz

    2017-04-01

    Full Text Available The hallmark of canonical Wnt signaling is the transcriptional induction of Wnt target genes by the beta-catenin/TCF complex. Several studies have proposed alternative interaction partners for beta-catenin or TCF, but the relevance of potential bifurcations in the distal Wnt pathway remains unclear. Here we study on a genome-wide scale the requirement for Armadillo (Arm, Drosophila beta-catenin and Pangolin (Pan, Drosophila TCF in the Wnt/Wingless(Wg-induced transcriptional response of Drosophila Kc cells. Using somatic genetics, we demonstrate that both Arm and Pan are absolutely required for mediating activation and repression of target genes. Furthermore, by means of STARR-sequencing we identified Wnt/Wg-responsive enhancer elements and found that all responsive enhancers depend on Pan. Together, our results confirm the dogma of canonical Wnt/Wg signaling and argue against the existence of distal pathway branches in this system.

  17. Canonical form of Euler-Lagrange equations and gauge symmetries

    Energy Technology Data Exchange (ETDEWEB)

    Geyer, B [Naturwissenschaftlich-Theoretisches Zentrum und Institut fuer Theoretische Physik, Universitaet Leipzig, Leipzig (Germany); Gitman, D M [Institute of Physics, University of Sao Paulo, Sao Paulo (Brazil); Tyutin, I V [Lebedev Physics Institute, Moscow (Russian Federation)

    2003-06-13

    The structure of the Euler-Lagrange equations for a general Lagrangian theory (e.g. singular, with higher derivatives) is studied. For these equations we present a reduction procedure to the so-called canonical form. In the canonical form the equations are solved with respect to highest-order derivatives of nongauge coordinates, whereas gauge coordinates and their derivatives enter the right-hand sides of the equations as arbitrary functions of time. The reduction procedure reveals constraints in the Lagrangian formulation of singular systems and, in that respect, is similar to the Dirac procedure in the Hamiltonian formulation. Moreover, the reduction procedure allows one to reveal the gauge identities between the Euler-Lagrange equations. Thus, a constructive way of finding all the gauge generators within the Lagrangian formulation is presented. At the same time, it is proved that for local theories all the gauge generators are local in time operators.

  18. Gossypol induces pyroptosis in mouse macrophages via a non-canonical inflammasome pathway

    International Nuclear Information System (INIS)

    Lin, Qiu-Ru; Li, Chen-Guang; Zha, Qing-Bing; Xu, Li-Hui; Pan, Hao; Zhao, Gao-Xiang; Ouyang, Dong-Yun; He, Xian-Hui

    2016-01-01

    Gossypol, a polyphenolic compound isolated from cottonseeds, has been reported to possess many pharmacological activities, but whether it can influence inflammasome activation remains unclear. In this study, we found that in mouse macrophages, gossypol induced cell death characterized by rapid membrane rupture and robust release of HMGB1 and pro-caspase-11 comparable to ATP treatment, suggesting an induction of pyroptotic cell death. Unlike ATP, gossypol induced much low levels of mature interleukin-1β (IL-1β) secretion from mouse peritoneal macrophages primed with LPS, although it caused pro-IL-1β release similar to that of ATP. Consistent with this, activated caspase-1 responsible for pro-IL-1β maturation was undetectable in gossypol-treated peritoneal macrophages. Besides, RAW 264.7 cells lacking ASC expression and caspase-1 activation also underwent pyroptotic cell death upon gossypol treatment. In further support of pyroptosis induction, both pan-caspase inhibitor and caspase-1 subfamily inhibitor, but not caspase-3 inhibitor, could sharply suppress gossypol-induced cell death. Other canonical pyroptotic inhibitors, including potassium chloride and N-acetyl-L-cysteine, could suppress ATP-induced pyroptosis but failed to inhibit or even enhanced gossypol-induced cell death, whereas nonspecific pore-formation inhibitor glycine could attenuate this process, suggesting involvement of a non-canonical pathway. Of note, gossypol treatment eliminated thioglycollate-induced macrophages in the peritoneal cavity with recruitment of other leukocytes. Moreover, gossypol administration markedly decreased the survival of mice in a bacterial sepsis model. Collectively, these results suggested that gossypol induced pyroptosis in mouse macrophages via a non-canonical inflammasome pathway, which raises a concern for its in vivo cytotoxicity to macrophages. - Highlights: • Gossypol induces pyroptosis in mouse peritoneal and RAW 264.7 macrophages. • In LPS

  19. Gossypol induces pyroptosis in mouse macrophages via a non-canonical inflammasome pathway

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Qiu-Ru; Li, Chen-Guang [Department of Immunobiology, College of Life Science and Technology, Jinan University, Guangzhou 510632 (China); Zha, Qing-Bing [Department of Fetal Medicine, The First Affiliated Hospital of Jinan University, Guangzhou 510632 (China); Xu, Li-Hui [Department of Cell Biology, College of Life Science and Technology, Jinan University, Guangzhou 510632 (China); Pan, Hao; Zhao, Gao-Xiang [Department of Immunobiology, College of Life Science and Technology, Jinan University, Guangzhou 510632 (China); Ouyang, Dong-Yun, E-mail: dongyun1967@aliyun.com [Department of Immunobiology, College of Life Science and Technology, Jinan University, Guangzhou 510632 (China); He, Xian-Hui, E-mail: thexh@jnu.edu.cn [Department of Immunobiology, College of Life Science and Technology, Jinan University, Guangzhou 510632 (China)

    2016-02-01

    Gossypol, a polyphenolic compound isolated from cottonseeds, has been reported to possess many pharmacological activities, but whether it can influence inflammasome activation remains unclear. In this study, we found that in mouse macrophages, gossypol induced cell death characterized by rapid membrane rupture and robust release of HMGB1 and pro-caspase-11 comparable to ATP treatment, suggesting an induction of pyroptotic cell death. Unlike ATP, gossypol induced much low levels of mature interleukin-1β (IL-1β) secretion from mouse peritoneal macrophages primed with LPS, although it caused pro-IL-1β release similar to that of ATP. Consistent with this, activated caspase-1 responsible for pro-IL-1β maturation was undetectable in gossypol-treated peritoneal macrophages. Besides, RAW 264.7 cells lacking ASC expression and caspase-1 activation also underwent pyroptotic cell death upon gossypol treatment. In further support of pyroptosis induction, both pan-caspase inhibitor and caspase-1 subfamily inhibitor, but not caspase-3 inhibitor, could sharply suppress gossypol-induced cell death. Other canonical pyroptotic inhibitors, including potassium chloride and N-acetyl-L-cysteine, could suppress ATP-induced pyroptosis but failed to inhibit or even enhanced gossypol-induced cell death, whereas nonspecific pore-formation inhibitor glycine could attenuate this process, suggesting involvement of a non-canonical pathway. Of note, gossypol treatment eliminated thioglycollate-induced macrophages in the peritoneal cavity with recruitment of other leukocytes. Moreover, gossypol administration markedly decreased the survival of mice in a bacterial sepsis model. Collectively, these results suggested that gossypol induced pyroptosis in mouse macrophages via a non-canonical inflammasome pathway, which raises a concern for its in vivo cytotoxicity to macrophages. - Highlights: • Gossypol induces pyroptosis in mouse peritoneal and RAW 264.7 macrophages. • In LPS

  20. Quantum phase space for an ideal relativistic gas in d spatial dimensions

    International Nuclear Information System (INIS)

    Hayashi, M.; Vera Mendoza, H.

    1992-01-01

    We present the closed formula for the d-dimensional invariant phase-space integral for an ideal relativistic gas in an exact integral form. In the particular cases of the nonrelativistic and the extreme relativistic limits the phase-space integrals are calculated analytically. Then we consider the d-dimensional invariant phase space with quantum statistic and derive the cluster decomposition for the grand canonical and canonical partition functions as well as for the microcanonical and grand microcanonical densities of states. As a showcase, we consider the black-body radiation in d dimensions (Author)

  1. Ilexonin A Promotes Neuronal Proliferation and Regeneration via Activation of the Canonical Wnt Signaling Pathway after Cerebral Ischemia Reperfusion in Rats

    Directory of Open Access Journals (Sweden)

    Bi-Qin Zhang

    2016-01-01

    Full Text Available Aims. Ilexonin A (IA, a component of the Chinese medicine Ilex pubescens, has been shown to be neuroprotective during ischemic injury. However, the specific mechanism underlying this neuroprotective effect remains unclear. Methods. In this study, we employed a combination of immunofluorescence staining, western blotting, RT-PCR, and behavioral tests, to investigate the molecular mechanisms involved in IA regulation of neuronal proliferation and regeneration after cerebral ischemia and reperfusion in rodents. Results. Increases in β-catenin protein and LEF1 mRNA and decreases in GSK3β protein and Axin mRNA observed in IA-treated compared to control rodents implicated the canonical Wnt pathway as a key signaling mechanism activated by IA treatment. Furthermore, rodents in the IA treatment group showed less neurologic impairment and a corresponding increase in the number of Brdu/nestin and Brdu/NeuN double positive neurons in the parenchymal ischemia tissue following middle cerebral artery occlusion compared to matched controls. Conclusion. Altogether, our data indicate that IA can significantly diminish neurological deficits associated with cerebral ischemia reperfusion in rats as a result of increased neuronal survival via modulation of the canonical Wnt pathway.

  2. Non-canonical microRNAs miR-320 and miR-702 promote proliferation in Dgcr8-deficient embryonic stem cells

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Byeong-Moo [Department of Medicine/GI Unit, Massachusetts General Hospital, Boston, MA 02114 (United States); Department of Medicine, Harvard Medical School, Boston, MA 02115 (United States); Choi, Michael Y., E-mail: mchoi@partners.org [Department of Medicine/GI Unit, Massachusetts General Hospital, Boston, MA 02114 (United States); Department of Medicine, Harvard Medical School, Boston, MA 02115 (United States); Harvard Stem Cell Institute, Boston, MA 02114 (United States)

    2012-09-21

    Highlights: Black-Right-Pointing-Pointer Embryonic stem cells (ESCs) lacking non-canonical miRNAs proliferate slower. Black-Right-Pointing-Pointer miR-320 and miR-702 are two non-canonical miRNAs expressed in ESCs. Black-Right-Pointing-Pointer miR-320 and miR-702 promote proliferation of Dgcr8-deficient ESCs. Black-Right-Pointing-Pointer miR-320 targets p57 and helps to release Dgcr8-deficient ESCs from G1 arrest. Black-Right-Pointing-Pointer miR-702 targets p21 and helps to release Dgcr8-deficient ESCs from G1 arrest. -- Abstract: MicroRNAs are known to contribute significantly to stem cell phenotype by post-transcriptionally regulating gene expression. Most of our knowledge of microRNAs comes from the study of canonical microRNAs that require two sequential cleavages by the Drosha/Dgcr8 heterodimer and Dicer to generate mature products. In contrast, non-canonical microRNAs bypass the cleavage by the Drosha/Dgcr8 heterodimer within the nucleus but still require cytoplasmic cleavage by Dicer. The function of non-canonical microRNAs in embryonic stem cells (ESCs) remains obscure. It has been hypothesized that non-canonical microRNAs have important roles in ESCs based upon the phenotypes of ESC lines that lack these specific classes of microRNAs; Dicer-deficient ESCs lacking both canonical and non-canonical microRNAs have much more severe proliferation defect than Dgcr8-deficient ESCs lacking only canonical microRNAs. Using these cell lines, we identified two non-canonical microRNAs, miR-320 and miR-702, that promote proliferation of Dgcr8-deficient ESCs by releasing them from G1 arrest. This is accomplished by targeting the 3 Prime -untranslated regions of the cell cycle inhibitors p57 and p21 and thereby inhibiting their expression. This is the first report of the crucial role of non-canonical microRNAs in ESCs.

  3. Vigilando la Calidad del Agua de los Grandes Rios de la Nacion: El Programa NASQAN del Rio Grande (Rio Bravo del Norte)

    Science.gov (United States)

    Lurry, Dee L.; Reutter, David C.; Wells, Frank C.; Rivera, M.C.; Munoz, A.

    1998-01-01

    La Oficina del Estudio Geologico de los Estados Unidos (U.S. Geological Survey, 0 USGS) ha monitoreado la calidad del agua de la cuenca del Rio Grande (Rio Bravo del Norte) desde 1995 como parte de la rediseiiada Red Nacional para Contabilizar la Calidad del Agua de los Rios (National Stream Quality Accounting Network, o NASOAN) (Hooper and others, 1997). EI programa NASOAN fue diseiiado para caracterizar las concentraciones y el transporte de sedimento y constituyentes quimicos seleccionados, encontrados en los grandes rios de los Estados Unidos - incluyendo el Misisipi, el Colorado y el Columbia, ademas del Rio Grande. En estas cuatro cuencas, el USGS opera actualmente (1998) una red de 40 puntos de muestreo pertenecientes a NASOAN, con un enfasis en cuantificar el flujo en masa (la cantidad de material que pasa por la estacion, expresado en toneladas por dial para cada constituyente. Aplicacando un enfoque consistente, basado en la cuantificacion de flujos en la cuenca del Rio Grande, el programa NASOAN esta generando la informacion necesaria para identificar fuentes regionales de diversos contaminantes, incluyendo sustancias qui micas agricolas y trazas elementos en la cuenca. EI efecto de las grandes reservas en el Rio Grande se puede observar segun los flujos de constituyentes discurren a 10 largo del rio. EI analisis de los flujos de constituyentes a escala de la cuenca proveera los medios para evaluar la influencia de la actividad humana sobre las condiciones de calidad del agua del Rio Grande.

  4. Canonical and Noncanonical Sites Determine NPT2A Binding Selectivity to NHERF1 PDZ1.

    Directory of Open Access Journals (Sweden)

    Tatyana Mamonova

    Full Text Available Na+/H+ Exchanger Regulatory Factor-1 (NHERF1 is a scaffolding protein containing 2 PDZ domains that coordinates the assembly and trafficking of transmembrane receptors and ion channels. Most target proteins harboring a C-terminus recognition motif bind more-or-less equivalently to the either PDZ domain, which contain identical core-binding motifs. However some substrates such as the type II sodium-dependent phosphate co-transporter (NPT2A, uniquely bind only one PDZ domain. We sought to define the structural determinants responsible for the specificity of interaction between NHERF1 PDZ domains and NPT2A. By performing all-atom/explicit-solvent molecular dynamics (MD simulations in combination with biological mutagenesis, fluorescent polarization (FP binding assays, and isothermal titration calorimetry (ITC, we found that in addition to canonical interactions of residues at 0 and -2 positions, Arg at the -1 position of NPT2A plays a critical role in association with Glu43 and His27 of PDZ1 that are absent in PDZ2. Experimentally introduced mutation in PDZ1 (Glu43Asp and His27Asn decreased binding to NPT2A. Conversely, introduction of Asp183Glu and Asn167His mutations in PDZ2 promoted the formation of favorable interactions yielding micromolar KDs. The results describe novel determinants within both the PDZ domain and outside the canonical PDZ-recognition motif that are responsible for discrimination of NPT2A between two PDZ domains. The results challenge general paradigms for PDZ recognition and suggest new targets for drug development.

  5. The Meridians of Reference of Indian Astronomical Canons

    Science.gov (United States)

    Mercier, R.

    The canons of Sanskrit astronomy depend on mean motions which are normally postulated to refer to the central meridian of Ujjain. The present work is a statistical analysis of these mean motions designed to discover the optimum position of the meridian, by comparison with modern mean motions. This follows earlier work done by Billard in determining the optimum year.

  6. Testing the significance of canonical axes in redundancy analysis

    NARCIS (Netherlands)

    Legendre, P.; Oksanen, J.; Braak, ter C.J.F.

    2011-01-01

    1. Tests of significance of the individual canonical axes in redundancy analysis allow researchers to determine which of the axes represent variation that can be distinguished from random. Variation along the significant axes can be mapped, used to draw biplots or interpreted through subsequent

  7. Grandes cocinas

    Directory of Open Access Journals (Sweden)

    García de Castro, Emilio

    1957-11-01

    Full Text Available Se describen en este artículo una serie de aparatos para grandes cocinas, vistos por los autores durante un rápido viaje por Alemania. Aprovechando los datos obtenidos se analizan brevemente las necesidades de una gran cocina moderna, comentando los planos de las instalaciones en varios hoteles o instituciones de todo el mundo. La mayoría de la información.

  8. On a Canonical Quantization of 3D Anti de Sitter Pure Gravity

    CERN Document Server

    Kim, Jihun

    2015-10-14

    We perform a canonical quantization of pure gravity on AdS3 using as a technical tool its equivalence at the classical level with a Chern-Simons theory with gauge group SL(2,R)xSL(2,R). We first quantize the theory canonically on an asymptotically AdS space --which is topologically the real line times a Riemann surface with one connected boundary. Using the "constrain first" approach we reduce canonical quantization to quantization of orbits of the Virasoro group and Kaehler quantization of Teichmuller space. After explicitly computing the Kaehler form for the torus with one boundary component and after extending that result to higher genus, we recover known results, such as that wave functions of SL(2,R) Chern-Simons theory are conformal blocks. We find new restrictions on the Hilbert space of pure gravity by imposing invariance under large diffeomorphisms and normalizability of the wave function. The Hilbert space of pure gravity is shown to be the target space of Conformal Field Theories with continuous sp...

  9. Grand unification theory and technicolor

    International Nuclear Information System (INIS)

    Rubakov, V.A.; Shaposhnikov, M.E.

    1983-01-01

    The lecture course can be considered as introduction to the problems concerning grand unification models. The course is incomplete. Such problems as CP-violations in strong interactions and the problem of gravitational interaction inclusion in the scheme of grand unification theory are not touched upon. Models of early unification, in which strong, weak and electromagnetic interactions are compared according to the ''strength'' at energies of about 10 5 -10 6 GeV, are not discussed. Models with horizontal symmetry, considering different generations of quarks and leptons from one viewpoint, are not analyzed. Cosmological applications of supersymmetric unified theories are not considered. Certain problems of standard elementary particle theory, philosophy of the great unification, general properties of the grand unification models and the main principles of the construction of models: the SU(5) model, models on the SO(10) groups, have been considered. The problem of supersymmetric unification hierarchies, supersymmetric generalization of the minimum SU(5) model, supersymmetry violation and the problem of hierarchies, phenomenology of the o.rand unification models, cosmological application and technicolour, are discussed

  10. Some reference formulas for the generating functions of canonical transformations

    Energy Technology Data Exchange (ETDEWEB)

    Anselmi, Damiano [Universita di Pisa, Dipartimento di Fisica ' ' Enrico Fermi' ' , Pisa (Italy); INFN, Sezione di Pisa, Pisa (Italy)

    2016-02-15

    We study some properties of the canonical transformations in classical mechanics and quantum field theory and give a number of practical formulas concerning their generating functions. First, we give a diagrammatic formula for the perturbative expansion of the composition law around the identity map. Then we propose a standard way to express the generating function of a canonical transformation by means of a certain ''componential'' map, which obeys the Baker-Campbell-Hausdorff formula. We derive the diagrammatic interpretation of the componential map, work out its relation with the solution of the Hamilton-Jacobi equation and derive its time-ordered version. Finally, we generalize the results to the Batalin-Vilkovisky formalism, where the conjugate variables may have both bosonic and fermionic statistics, and describe applications to quantum field theory. (orig.)

  11. Statistical analogues of thermodynamic extremum principles

    Science.gov (United States)

    Ramshaw, John D.

    2018-05-01

    As shown by Jaynes, the canonical and grand canonical probability distributions of equilibrium statistical mechanics can be simply derived from the principle of maximum entropy, in which the statistical entropy S=- {k}{{B}}{\\sum }i{p}i{log}{p}i is maximised subject to constraints on the mean values of the energy E and/or number of particles N in a system of fixed volume V. The Lagrange multipliers associated with those constraints are then found to be simply related to the temperature T and chemical potential μ. Here we show that the constrained maximisation of S is equivalent to, and can therefore be replaced by, the essentially unconstrained minimisation of the obvious statistical analogues of the Helmholtz free energy F = E ‑ TS and the grand potential J = F ‑ μN. Those minimisations are more easily performed than the maximisation of S because they formally eliminate the constraints on the mean values of E and N and their associated Lagrange multipliers. This procedure significantly simplifies the derivation of the canonical and grand canonical probability distributions, and shows that the well known extremum principles for the various thermodynamic potentials possess natural statistical analogues which are equivalent to the constrained maximisation of S.

  12. Results from KASCADE–Grande

    International Nuclear Information System (INIS)

    Bertaina, M.; Apel, W.D.; Arteaga-Velázquez, J.C.; Bekk, K.; Blümer, J.; Bozdog, H.; Brancus, I.M.; Buchholz, P.; Cantoni, E.; Chiavassa, A.; Cossavella, F.

    2012-01-01

    The KASCADE–Grande experiment, located at Karlsruhe Institute of Technology (Germany) is a multi-component extensive air-shower experiment devoted to the study of cosmic rays and their interactions at primary energies 10 14 –10 18 eV. Main goals of the experiment are the measurement of the all-particle energy spectrum and mass composition in the 10 16 –10 18 eV range by sampling charged (N ch ) and muon (N μ ) components of the air shower. The method to derive the energy spectrum and its uncertainties, as well as the implications of the obtained result, is discussed. An overview of the analyses performed by KASCADE–Grande to derive the mass composition of the measured high-energy comic rays is presented as well.

  13. A second-order unconstrained optimization method for canonical-ensemble density-functional methods

    Science.gov (United States)

    Nygaard, Cecilie R.; Olsen, Jeppe

    2013-03-01

    A second order converging method of ensemble optimization (SOEO) in the framework of Kohn-Sham Density-Functional Theory is presented, where the energy is minimized with respect to an ensemble density matrix. It is general in the sense that the number of fractionally occupied orbitals is not predefined, but rather it is optimized by the algorithm. SOEO is a second order Newton-Raphson method of optimization, where both the form of the orbitals and the occupation numbers are optimized simultaneously. To keep the occupation numbers between zero and two, a set of occupation angles is defined, from which the occupation numbers are expressed as trigonometric functions. The total number of electrons is controlled by a built-in second order restriction of the Newton-Raphson equations, which can be deactivated in the case of a grand-canonical ensemble (where the total number of electrons is allowed to change). To test the optimization method, dissociation curves for diatomic carbon are produced using different functionals for the exchange-correlation energy. These curves show that SOEO favors symmetry broken pure-state solutions when using functionals with exact exchange such as Hartree-Fock and Becke three-parameter Lee-Yang-Parr. This is explained by an unphysical contribution to the exact exchange energy from interactions between fractional occupations. For functionals without exact exchange, such as local density approximation or Becke Lee-Yang-Parr, ensemble solutions are favored at interatomic distances larger than the equilibrium distance. Calculations on the chromium dimer are also discussed. They show that SOEO is able to converge to ensemble solutions for systems that are more complicated than diatomic carbon.

  14. Generalized operator canonical formalism and gauge invariance

    International Nuclear Information System (INIS)

    Fradkina, T.E.

    1988-01-01

    A direct proof is given in the functional representation of the invariance of the S-matrix constructed in the framework of the generalized operator canonical formalism. We find the traditional functional expression for the S-matrix (without point-splitting in the time factor) in the generalized phase space, as well as in the ghost configuration space. An explicit expression is obtained for the effective unitarizing Hamiltonian for gauge theories with constraints of arbitrary rank

  15. On the 'near to minimal' canonical realizations of the Lie algebra Csub(n)

    International Nuclear Information System (INIS)

    Havlicek, M.; Lassner, W.

    1975-01-01

    It is proved that canonical realizations of the Lie algebra Csub(n) in the quotient division ring Dsub(2(2n-2)) of the Weyl algebra Wsub(2(2n-2)) in 2n-2 quantum canonical pairs are, in a definite sense, related to the standard minimal one in Dsub(2n) contains Dsub(2(2n-2)). Further, in any realization of Csub(n) in Wsub(2(2n-1)) all Casimir operators are realized by multiples of identity element

  16. Cable Connected Spinning Spacecraft, 1. the Canonical Equations, 2. Urban Mass Transportation, 3

    Science.gov (United States)

    Sitchin, A.

    1972-01-01

    Work on the dynamics of cable-connected spinning spacecraft was completed by formulating the equations of motion by both the canonical equations and Lagrange's equations and programming them for numerical solution on a digital computer. These energy-based formulations will permit future addition of the effect of cable mass. Comparative runs indicate that the canonical formulation requires less computer time. Available literature on urban mass transportation was surveyed. Areas of the private rapid transit concept of urban transportation are also studied.

  17. Pramana – Journal of Physics | Indian Academy of Sciences

    Indian Academy of Sciences (India)

    Proceedings of the Inernaional Symposium on Nuclear Physics - Part II. pp 1-1. Foreword ... The canonical and grand canonical models for nuclear multifragmentation · G Chaudhuri S Das ... Multi-reaction-channel fitting calculations in a coupled-channel model: Photoinduced strangeness production · O Scholten A Usov.

  18. Nonlinear canonical correlation analysis with k sets of variables

    NARCIS (Netherlands)

    van der Burg, Eeke; de Leeuw, Jan

    1987-01-01

    The multivariate technique OVERALS is introduced as a non-linear generalization of canonical correlation analysis (CCA). First, two sets CCA is introduced. Two sets CCA is a technique that computes linear combinations of sets of variables that correlate in an optimal way. Two sets CCA is then

  19. Grand Hotel prijutil hudozhnikov

    Index Scriptorium Estoniae

    2004-01-01

    Raadioajakirjanik Lea Veelmaa lindistas "Kunstikanali" 2004. a. esimese saate Grand Hotel Viljandis. Saatekülaliseks oli maalikunstnik Andres Tolts. Toltsi kaheksa akrüülmaali on eksponeeritud hotelli fuajees ja restoranis

  20. Primary diffuse large B-cell lymphoma of the oral cavity Linfoma difuso de grandes células B primário de boca

    Directory of Open Access Journals (Sweden)

    Bruno Correia Jham

    2007-10-01

    Full Text Available Lymphomas arising within the oral cavity account for only 3.5% of all oral malignancies. Diffuse large B-cell lymphoma is a non-Hodgkin lymphoma subtype characterized by diffuse proliferation of large neoplastic B lymphoid cells. This paper reports a case of diffuse large B-cell lymphoma affecting the oral cavity of a Brazilian woman, along with its clinical, microscopical, immunohistochemical, and molecular features.Linfomas correspondem a 3,5% de todos os casos de lesões malignas de boca. O linfoma difuso de grandes células B é um subtipo de linfoma não-Hodgkin caracterizado pela proliferação difusa de células linfóides B. Este artigo relata um caso de linfoma difuso de grandes células B localizado na cavidade bucal de uma mulher brasileira, incluindo os achados clínicos, microscópicos, imuno-histoquímicos e moleculares.

  1. Incidence Rate of Canonical vs. Derived Medical Terminology in Natural Language.

    Science.gov (United States)

    Topac, Vasile; Jurcau, Daniel-Alexandru; Stoicu-Tivadar, Vasile

    2015-01-01

    Medical terminology appears in the natural language in multiple forms: canonical, derived or inflected form. This research presents an analysis of the form in which medical terminology appears in Romanian and English language. The sources of medical language used for the study are web pages presenting medical information for patients and other lay users. The results show that, in English, medical terminology tends to appear more in canonical form while, in the case of Romanian, it is the opposite. This paper also presents the service that was created to perform this analysis. This tool is available for the general public, and it is designed to be easily extensible, allowing the addition of other languages.

  2. Beyond or Below the Horizon? Sublime and Subliminal Challenges in Stewarding the Literary Canon

    DEFF Research Database (Denmark)

    Børch, Marianne

    2015-01-01

    The chapter discusses how certain texts may be excluded from canonical status by forms of resistance traceable to scholars' anxiety. Examples of such exiety are the 'fear of faith' and the 'fear of the literal.'......The chapter discusses how certain texts may be excluded from canonical status by forms of resistance traceable to scholars' anxiety. Examples of such exiety are the 'fear of faith' and the 'fear of the literal.'...

  3. A note on T-duality, open strings in B-field background and canonical transformations

    International Nuclear Information System (INIS)

    Sheikh-Jabbari, M.M.

    1999-11-01

    In this paper we study T-duality for open strings ending on branes with non-zero B-field on them from the point of view of canonical transformations. For the particular case of type II strings on the two torus we show that the Sl(2, Z) N transformations can be understood as a sub-class of canonical transformations on the open strings in the B-field background. (author)

  4. Non-Canonical Roles of Dengue Virus Non-Structural Proteins

    Directory of Open Access Journals (Sweden)

    Julianna D. Zeidler

    2017-03-01

    Full Text Available The Flaviviridae family comprises a number of human pathogens, which, although sharing structural and functional features, cause diseases with very different outcomes. This can be explained by the plurality of functions exerted by the few proteins coded by viral genomes, with some of these functions shared among members of a same family, but others being unique for each virus species. These non-canonical functions probably have evolved independently and may serve as the base to the development of specific therapies for each of those diseases. Here it is discussed what is currently known about the non-canonical roles of dengue virus (DENV non-structural proteins (NSPs, which may account for some of the effects specifically observed in DENV infection, but not in other members of the Flaviviridae family. This review explores how DENV NSPs contributes to the physiopathology of dengue, evasion from host immunity, metabolic changes, and redistribution of cellular components during infection.

  5. Common activation of canonical Wnt signaling in pancreatic adenocarcinoma.

    Directory of Open Access Journals (Sweden)

    Marina Pasca di Magliano

    2007-11-01

    Full Text Available Pancreatic ductal adenocarcinoma (PDA is an extremely aggressive malignancy, which carries a dismal prognosis. Activating mutations of the Kras gene are common to the vast majority of human PDA. In addition, recent studies have demonstrated that embryonic signaling pathway such as Hedgehog and Notch are inappropriately upregulated in this disease. The role of another embryonic signaling pathway, namely the canonical Wnt cascade, is still controversial. Here, we use gene array analysis as a platform to demonstrate general activation of the canonical arm of the Wnt pathway in human PDA. Furthermore, we provide evidence for Wnt activation in mouse models of pancreatic cancer. Our results also indicate that Wnt signaling might be activated downstream of Hedgehog signaling, which is an early event in PDA evolution. Wnt inhibition blocked proliferation and induced apoptosis of cultured adenocarcinoma cells, thereby providing evidence to support the development of novel therapeutical strategies for Wnt inhibition in pancreatic adenocarcinoma.

  6. Parallel Atomistic Simulations

    Energy Technology Data Exchange (ETDEWEB)

    HEFFELFINGER,GRANT S.

    2000-01-18

    Algorithms developed to enable the use of atomistic molecular simulation methods with parallel computers are reviewed. Methods appropriate for bonded as well as non-bonded (and charged) interactions are included. While strategies for obtaining parallel molecular simulations have been developed for the full variety of atomistic simulation methods, molecular dynamics and Monte Carlo have received the most attention. Three main types of parallel molecular dynamics simulations have been developed, the replicated data decomposition, the spatial decomposition, and the force decomposition. For Monte Carlo simulations, parallel algorithms have been developed which can be divided into two categories, those which require a modified Markov chain and those which do not. Parallel algorithms developed for other simulation methods such as Gibbs ensemble Monte Carlo, grand canonical molecular dynamics, and Monte Carlo methods for protein structure determination are also reviewed and issues such as how to measure parallel efficiency, especially in the case of parallel Monte Carlo algorithms with modified Markov chains are discussed.

  7. QCD at Zero Baryon Density and the Polyakov Loop Paradox

    CERN Document Server

    Kratochvila, S; Forcrand, Ph. de

    2006-01-01

    We compare the grand canonical partition function at fixed chemical potential mu with the canonical partition function at fixed baryon number B, formally and by numerical simulations at mu=0 and B=0 with four flavours of staggered quarks. We verify that the free energy densities are equal in the thermodynamic limit, and show that they can be well described by the hadron resonance gas at T T_c. Small differences between the two ensembles, for thermodynamic observables characterising the deconfinement phase transition, vanish with increasing lattice size. These differences are solely caused by contributions of non-zero baryon density sectors, which are exponentially suppressed with increasing volume. The Polyakov loop shows a different behaviour: for all temperatures and volumes, its expectation value is exactly zero in the canonical formulation, whereas it is always non-zero in the commonly used grand-canonical formulation. We clarify this paradoxical difference, and show that the non-vanishing Polyakov loop e...

  8. Canonical correlation analysis of the career attitudes and strategies inventory and the adult career concerns inventory

    Directory of Open Access Journals (Sweden)

    Charlene C Lew

    2006-04-01

    Full Text Available This study investigated the relationships between the scales of the Adult Career Concerns Inventory (ACCI and those of the Career Attitudes and Strategies Inventory (CASI. The scores of 202 South African adults for the two inventories were subjected to a canonical correlation analysis. Two canonical variates made statistically significant contributions to the explanation of the relationships between the two sets of variables. Inspection of the correlations of the original variables with the first canonical variate suggested that a high level of career concerns in general, as measured by the ACCI, is associated with high levels of career worries, more geographical barriers, a low risk-taking style and a non-dominant interpersonal style, as measured by the CASI. The second canonical variate suggested that concerns with career exploration and advancement of one’s career is associated with low job satisfaction, low family commitment, high work involvement, and a dominant style at work.

  9. The GRANDE detector

    International Nuclear Information System (INIS)

    Adams, A.; Bond, R.; Coleman, L.; Rollefson, A.; Wold, D.; Bratton, C.B.; Gurr, H.; Kropp, W.; Nelson, M.; Price, L.R.; Reines, F.; Schultz, J.; Sobel, H.; Svoboda, R.; Yodh, G.; Burnett, T.; Chaloupka, V.; Wilkes, R.J.; Cherry, M.; Ellison, S.B.; Guzik, T.G.; Wefel, J.; Gaidos, J.; Loeffler, F.; Sembroski, G.; Wilson, C.; Goodman, J.; Haines, T.J.; Kielczewska, D.; Lane, C.; Steinberg, R.; Lieber, M.; Nagle, D.; Potter, M.; Tripp, R.

    1990-01-01

    In this paper we present a detector facility which meets the requirements outlined above for a next-generation instrument. GRANDE (Gamma Ray and Neutrino DEtector) is an imaging, water Cerenkov detector, which combines in one facility an extensive air shower array and a high-energy neutrino detector. (orig.)

  10. Stable micron-scale holes are a general feature of canonical holins.

    Science.gov (United States)

    Savva, Christos G; Dewey, Jill S; Moussa, Samir H; To, Kam H; Holzenburg, Andreas; Young, Ry

    2014-01-01

    At a programmed time in phage infection cycles, canonical holins suddenly trigger to cause lethal damage to the cytoplasmic membrane, resulting in the cessation of respiration and the non-specific release of pre-folded, fully active endolysins to the periplasm. For the paradigm holin S105 of lambda, triggering is correlated with the formation of micron-scale membrane holes, visible as interruptions in the bilayer in cryo-electron microscopic images and tomographic reconstructions. Here we report that the size distribution of the holes is stable for long periods after triggering. Moreover, early triggering caused by an early lysis allele of S105 formed approximately the same number of holes, but the lesions were significantly smaller. In contrast, early triggering prematurely induced by energy poisons resulted in many fewer visible holes, consistent with previous sizing studies. Importantly, the unrelated canonical holins P2 Y and T4 T were found to cause the formation of holes of approximately the same size and number as for lambda. In contrast, no such lesions were visible after triggering of the pinholin S(21) 68. These results generalize the hole formation phenomenon for canonical holins. A model is presented suggesting the unprecedentedly large size of these holes is related to the timing mechanism. © 2013 John Wiley & Sons Ltd.

  11. Molecular Approach to Microbiological Examination of Water Quality in the Grand Bay National Estuarine Research Reserve (NERR) in Mississippi, USA.

    Science.gov (United States)

    Kishinhi, Stephen S; Tchounwou, Paul B; Farah, Ibrahim O

    2013-01-01

    Grand Bay National Estuarine Research Reserve (NERR) is an important ecosystem in the Mississippi Gulf Coast. It serves as important nursery areas for juveniles of many species of fish. The bay is also used for fishing, crabbing, oyster togging, boating as well as recreation. Like in other aquatic environments, this bay may be contaminated by microorganisms including pathogenic bacteria. The objective of this study was to evaluate the microbiological quality of water in the Grand Bay NERR and determine the levels and potential source(s) of human fecal pollution. To achieve this goal, water samples were collected aseptically every month in Bayou Heron, Bayou Cumbest, Point Aux Chenes Bay and Bangs Lake. Enterococci were concentrated from water samples by membrane filtration according to the methodology outlined in USEPA Method 1600. After incubation, DNA was extracted from bacteria colonies on the membrane filters by using QIAamp DNA extraction kit. Water samples were also tested for the presence of traditional indicator bacteria including: heterotrophic plate count, total coliforms, fecal coliforms, and Enterococcus bacteria. The marker esp gene was detected in one site of Bayou Cumbest, an area where human populations reside. Data from this study indicates higher concentrations of indicator bacteria compared to the recommended acceptable levels. Presence of esp marker and high numbers of indicator bacteria suggest a public health concern for shellfish and water contact activities. Hence, control strategies should be developed and implemented to prevent further contamination of the Grand bay NERR waters.

  12. Grand Fir Nutrient Management in the Inland Northwestern USA

    Directory of Open Access Journals (Sweden)

    Dennis R. Parent

    2016-11-01

    Full Text Available Grand fir (Abies grandis (Douglas ex D. Don Lindley is widely distributed in the moist forests of the Inland Northwest. It has high potential productivity, its growth being nearly equal to western white pine, the most productive species in the region. There are large standing volumes of grand fir in the region. Nutritionally, the species has higher foliage cation concentrations than associated conifers, especially potassium (K and calcium (Ca. In contrast, it has lower nitrogen (N foliage concentrations, which creates favorable nutrient balance on N-limited sites. Despite concentration differences, grand fir stores proportionally more nutrients per tree than associated species because of greater crown biomass. Although few fertilization trials have examined grand fir specifically, its response is inferred from its occurrence in many monitored mixed conifer stands. Fertilization trials including grand fir either as a major or minor component show that it has a strong diameter and height growth response ranging from 15% to 50% depending in part on site moisture availability and soil geology. Grand fir tends to have a longer response duration than other inland conifers. When executed concurrently with thinning, fertilization often increases the total response. Late rotation application of N provides solid investment returns in carefully selected stands. Although there are still challenges with the post-fertilization effects on tree mortality, grand fir will continue to be an important species with good economic values and beneficial responses to fertilization and nutrient management.

  13. Canonical action-angle formalism for quantized nonlinear fields

    International Nuclear Information System (INIS)

    Garbaczewki, P.

    1987-01-01

    The canonical quantizations of field and action-angle coordinates which (locally) parameterize the phase manifold for the same nonlinear field theory model (e.g. sine-Gordon and nonlinear Schrodinger with the attractive coupling) are reconciled on the common for both cases state space. The classical-quantum relationship is maintained in the mean: coherent state expectation values of operators give rise to classical objects

  14. Grand unification and gravity - selected topics

    International Nuclear Information System (INIS)

    Zee, A.

    1981-09-01

    The material given here was presented in lectures delivered at the 4th Kyoto Summer Institute on Grand Unification and Related Topics. It consists of six sections. The sections are: the family problem, fermion mass hierarchy, maximal local symmetry, operator analysis of new physics, dynamically generated gravity, and Kaluza theory and grand unification. The last section contains a (hopefully) pedagogical introduction to Kaluza theory. For pedagogical completeness, several appendices reviewing some elementary notions of differential geometry have been added

  15. New integral representations of the Maslov canonical operator in singular charts

    Science.gov (United States)

    Dobrokhotov, S. Yu.; Nazaikinskii, V. E.; Shafarevich, A. I.

    2017-04-01

    We construct a new integral representation of the Maslov canonical operator convenient in numerical-analytical calculations, present an algorithm implementing this representation, and consider a number of examples.

  16. Paintings beyond the Boundaries of the Canon: Bulgarian Churches and Monasteries XVII - XIX Century

    Directory of Open Access Journals (Sweden)

    P. Sabev

    2015-09-01

    Full Text Available Traditions in the decoration of Christian temples on the Balkans are largely related to strictly established rules, deriving from Byzantium and developed in the theological ranges in the empire. The holy fathers like John of Damascus and Theodore the Studite announced themselves in defense of veneration of the icons (overcoming the crisis of persecution, something more – their theological insights and logically consistent studies give the possibility to artists to express their feelings and conceptions but taking into consideration the ecclesiastical rules – canons. The article explores process of breaking the boundaries of canon set by Church Fathers as a result of unpreparedness, ignorance and total aesthetic decline after Ottoman invasion. It is appeared various levels of naive art and breaking of the canon established by the Orthodox Church. Many examples passing beyond the boundaries of ecclesiastical rules are presented.

  17. Gamma ray and neutrino detector facility (GRANDE), Task C

    International Nuclear Information System (INIS)

    Sobel, H.W.; Yodh, G.B.

    1991-08-01

    GRANDE is an imaging, water Cerenkov detector, which combines in one facility an extensive air shower array and a high-energy neutrino detector. We proposed that the detector be constructed in phases, beginning with an active detector area of 31,000 m 2 (GRANDE-I) 2 and expanding to a final size of 100,000--150,00 m 2 . Some of the characteristics of GRANDE-I are discussed in this paper

  18. Determination of βS haplotypes in patients with sickle-cell anemia in the state of Rio Grande do Norte, Brazil

    Directory of Open Access Journals (Sweden)

    Cynthia Hatsue Kitayama Cabral

    2011-01-01

    Full Text Available βS haplotypes were studied in 47 non-related patients with sickle-cell anemia from the state of Rio Grande do Norte, Brazil. Molecular analysis was conducted by PCR/RFLP using restriction endonucleases XmnI, HindIII, HincII and HinfI to analyze six polymorphic sites from the beta cluster. Twenty-seven patients (57.5% were identified with genotype CAR/CAR, 9 (19.1% CAR/BEN, 6 (12.8% CAR/CAM, 1 (2.1% BEN/BEN, 2 (4.3% CAR/Atp, 1 (2.1% BEN/Atp and 1 (2.1% with genotype Atp/Atp. The greater frequency of Cameroon haplotypes compared to other Brazilian states suggests the existence of a peculiarity of African origin in the state of Rio Grande do Norte.

  19. Results from KASCADE-Grande

    Energy Technology Data Exchange (ETDEWEB)

    Bertaina, M., E-mail: bertaina@to.infn.it [Dipartimento di Fisica Generale dell' Universita, Torino (Italy); Apel, W.D. [Institut fuer Kernphysik, KIT - Karlsruher Institut fuer Technologie (Germany); Arteaga-Velazquez, J.C. [Universidad Michoacana, Instituto de Fisica y Matematicas, Morelia (Mexico); Bekk, K. [Institut fuer Kernphysik, KIT - Karlsruher Institut fuer Technologie (Germany); Bluemer, J. [Institut fuer Kernphysik, KIT - Karlsruher Institut fuer Technologie (Germany); Institut fuer Experimentelle Kernphysik, KIT - Karlsruher Institut fuer Technologie (Germany); Bozdog, H. [Institut fuer Kernphysik, KIT - Karlsruher Institut fuer Technologie (Germany); Brancus, I.M. [National Institute of Physics and Nuclear Engineering, Bucharest (Romania); Buchholz, P. [Fachbereich Physik, Universitaet Siegen (Germany); Cantoni, E. [Dipartimento di Fisica Generale dell' Universita, Torino (Italy); Istituto di Fisica dello Spazio Interplanetario, INAF Torino (Italy); Chiavassa, A. [Dipartimento di Fisica Generale dell' Universita, Torino (Italy); Cossavella, F. [Institut fuer Experimentelle Kernphysik, KIT - Karlsruher Institut fuer Technologie (Germany); and others

    2012-11-11

    The KASCADE-Grande experiment, located at Karlsruhe Institute of Technology (Germany) is a multi-component extensive air-shower experiment devoted to the study of cosmic rays and their interactions at primary energies 10{sup 14}-10{sup 18} eV. Main goals of the experiment are the measurement of the all-particle energy spectrum and mass composition in the 10{sup 16}-10{sup 18} eV range by sampling charged (N{sub ch}) and muon (N{sub {mu}}) components of the air shower. The method to derive the energy spectrum and its uncertainties, as well as the implications of the obtained result, is discussed. An overview of the analyses performed by KASCADE-Grande to derive the mass composition of the measured high-energy comic rays is presented as well.

  20. Effects of Canon chord progression on brain activity and motivation are dependent on subjective feelings, not the chord progression per se

    Directory of Open Access Journals (Sweden)

    Kayashima Y

    2017-06-01

    Full Text Available Yoshinori Kayashima,1,2,* Kazuhiko Yamamuro,1,* Manabu Makinodan,1 Yoko Nakanishi,1 Akio Wanaka,2 Toshifumi Kishimoto1 1Department of Psychiatry, 2Department of Anatomy and Neuroscience, Nara Medical University School of Medicine, Kashihara, Japan *These authors contributed equally to this work Abstract: A number of studies have indicated that relaxing and pleasant melodies are useful for the treatment of patients with psychiatric disorders, including schizophrenia, depression, and dementia. However, few studies have investigated what constitutive elements of the music had an effect on brain activity. As Canon chord progression is one of critical elements for pleasant melodies, we sought to examine the effects of Canon chord progression and pitch-shifted Canon chord progression on brain activity using performance on the auditory oddball task during event-related potentials (ERPs in 30 healthy subjects. Unexpectedly, we found no differences in ERP components between subjects listening to Canon chord progression (n=15 or pitch-shifted Canon chord progression (n=15. Next, we divided participants into two groups: those who found the melody pleasant (n=17 and those who did not (n=13, for both Canon chord progression and pitch-shifted Canon chord progression. The average of P300 amplitude was higher at Fz in subjects found the music pleasant versus those finding it unpleasant. Moreover, subjects who found it pleasant exhibited higher motivation scores than those who felt it was unpleasant, whereas listening to Canon chord progression did not matter. These findings suggest that the effects of Canon chord progression on brain activity and motivation depend on subjective feelings, not the chord progression per se. Keywords: music, Canon chord progression, motivation, event-related potential, subjective feelings 

  1. On a canonical formulation of field theories with singular Lagrangians

    International Nuclear Information System (INIS)

    Mal'tsev, V.K.

    1978-01-01

    An attempt is made to introduce the Routh function formalism into the field theory: only ''nondegenerated'' field components are considered as canonical variables. Electrodynamics and general relativity are considered. The formalism appears to be quite simple and gauge-independent

  2. The Role Of The «Grand Schools» And The «Grand Corps» As Recruitment Channels For French Ministers

    Directory of Open Access Journals (Sweden)

    I. A. Zarankin

    2017-01-01

    Full Text Available The recruitment of ministers among high-ranking officials, who studied in the «grand schools» and worked in the «grand corps», is one of the typical traits of the Fifth republic. This is a consequence of the traditional interpenetration of French administrative and political elites. However, there is no common view on the actual role of these institutions in the ministers’ recruitment. So, the objective of this paper is to clarify this issue. For this purpose we analyze career trajectories of French ministers from 1981 till 2016. The data on each government include shares of ministers, who passed through the «grand schools» and the «grand corps». The article shows that nowadays the number of ministers with such an experience has decreased. Most government members are professional politicians, who have significant electoral experience and occupy high-ranking party positions. Today there are political parties, not the «grand schools» and the «grand corps», that are the main channels of the ministers’ recruitment. The professionalization of politics and reinforcement of the role of parties in the French political system are the most crucial factors of this tendency. The transformation of gaullists into liberals and conduction of the liberal economic policy, instead of the dirigist one, also contributed to replacement of officials by representatives of the private sector. Despite the fact that political parties serve as a main channel of the ministers’ recruitment, they face internal problems. The future role of political parties in the recruitment will depend on their ability to deal with these challenges.

  3. Canonical quantization of the Bateman-Morse-Feshbach damped oscillator

    International Nuclear Information System (INIS)

    Rideau, G.; Anderson, R.L.; Hebda, P.W.

    1991-01-01

    The Bateman-Morse-Feshbach classical formulation of the damped oscillator is canonically quantized. The spectrum of the Hamiltonian is given. It is shown that the wavefunctions behave asymptotically as a superposition of damped oscillators when their initial values belong to an appropriately-selected dense subset of the Hilbert space. (orig.)

  4. Environmental Audit of the Grand Junction Projects Office

    Energy Technology Data Exchange (ETDEWEB)

    1991-08-01

    The Grand Junction Projects Office (GJPO) is located in Mesa County, Colorado, immediately south and west of the Grand Junction city limits. The US Atomic Energy Commission (AEC) established the Colorado Raw Materials Office at the present-day Grand Junction Projects Office in 1947, to aid in the development of a viable domestic uranium industry. Activities at the site included sampling uranium concentrate; pilot-plant milling research, including testing and processing of uranium ores; and operation of a uranium mill pilot plant from 1954 to 1958. The last shipment of uranium concentrate was sent from GJPO in January, 1975. Since that time the site has been utilized to support various DOE programs, such as the former National Uranium Resource Evaluation (NURE) Program, the Uranium Mill Tailings Remedial Action Project (UMTRAP), the Surplus Facilities Management Program (SFMP), and the Technical Measurements Center (TMC). All known contamination at GJPO is believed to be the result of the past uranium milling, analyses, and storage activities. Hazards associated with the wastes impounded at GJPO include surface and ground-water contamination and potential radon and gamma-radiation exposure. This report documents the results of the Baseline Environmental Audit conducted at Grand Junction Projects Office (GJPO) located in Grand Junction, Colorado. The Grand Junction Baseline Environmental Audit was conducted from May 28 to June 12, 1991, by the Office of Environmental Audit (EH-24). This Audit evaluated environmental programs and activities at GJPO, as well as GJPO activities at the State-Owned Temporary Repository. 4 figs., 12 tabs.

  5. Environmental Audit of the Grand Junction Projects Office

    International Nuclear Information System (INIS)

    1991-08-01

    The Grand Junction Projects Office (GJPO) is located in Mesa County, Colorado, immediately south and west of the Grand Junction city limits. The US Atomic Energy Commission (AEC) established the Colorado Raw Materials Office at the present-day Grand Junction Projects Office in 1947, to aid in the development of a viable domestic uranium industry. Activities at the site included sampling uranium concentrate; pilot-plant milling research, including testing and processing of uranium ores; and operation of a uranium mill pilot plant from 1954 to 1958. The last shipment of uranium concentrate was sent from GJPO in January, 1975. Since that time the site has been utilized to support various DOE programs, such as the former National Uranium Resource Evaluation (NURE) Program, the Uranium Mill Tailings Remedial Action Project (UMTRAP), the Surplus Facilities Management Program (SFMP), and the Technical Measurements Center (TMC). All known contamination at GJPO is believed to be the result of the past uranium milling, analyses, and storage activities. Hazards associated with the wastes impounded at GJPO include surface and ground-water contamination and potential radon and gamma-radiation exposure. This report documents the results of the Baseline Environmental Audit conducted at Grand Junction Projects Office (GJPO) located in Grand Junction, Colorado. The Grand Junction Baseline Environmental Audit was conducted from May 28 to June 12, 1991, by the Office of Environmental Audit (EH-24). This Audit evaluated environmental programs and activities at GJPO, as well as GJPO activities at the State-Owned Temporary Repository. 4 figs., 12 tabs

  6. On the use and computation of the Jordan canonical form in system theory

    Science.gov (United States)

    Sridhar, B.; Jordan, D.

    1974-01-01

    This paper investigates various aspects of the application of the Jordan canonical form of a matrix in system theory and develops a computational approach to determining the Jordan form for a given matrix. Applications include pole placement, controllability and observability studies, serving as an intermediate step in yielding other canonical forms, and theorem proving. The computational method developed in this paper is both simple and efficient. The method is based on the definition of a generalized eigenvector and a natural extension of Gauss elimination techniques. Examples are included for demonstration purposes.

  7. Improved implementation algorithms of the two-dimensional nonseparable linear canonical transform.

    Science.gov (United States)

    Ding, Jian-Jiun; Pei, Soo-Chang; Liu, Chun-Lin

    2012-08-01

    The two-dimensional nonseparable linear canonical transform (2D NSLCT), which is a generalization of the fractional Fourier transform and the linear canonical transform, is useful for analyzing optical systems. However, since the 2D NSLCT has 16 parameters and is very complicated, it is a great challenge to implement it in an efficient way. In this paper, we improved the previous work and propose an efficient way to implement the 2D NSLCT. The proposed algorithm can minimize the numerical error arising from interpolation operations and requires fewer chirp multiplications. The simulation results show that, compared with the existing algorithm, the proposed algorithms can implement the 2D NSLCT more accurately and the required computation time is also less.

  8. Servo-hydraulic actuator in controllable canonical form: Identification and experimental validation

    Science.gov (United States)

    Maghareh, Amin; Silva, Christian E.; Dyke, Shirley J.

    2018-02-01

    Hydraulic actuators have been widely used to experimentally examine structural behavior at multiple scales. Real-time hybrid simulation (RTHS) is one innovative testing method that largely relies on such servo-hydraulic actuators. In RTHS, interface conditions must be enforced in real time, and controllers are often used to achieve tracking of the desired displacements. Thus, neglecting the dynamics of hydraulic transfer system may result either in system instability or sub-optimal performance. Herein, we propose a nonlinear dynamical model for a servo-hydraulic actuator (a.k.a. hydraulic transfer system) coupled with a nonlinear physical specimen. The nonlinear dynamical model is transformed into controllable canonical form for further tracking control design purposes. Through a number of experiments, the controllable canonical model is validated.

  9. Canonically conjugate pairs and phase operators

    International Nuclear Information System (INIS)

    Schoenhammer, K.

    2002-01-01

    For quantum mechanics on a lattice the position ('particle number') operator and the quasimomentum ('phase') operator obey canonical commutation relations (CCRs) only on a dense set of the Hilbert space. We compare exact numerical results for a particle in a linear and a quadratic potential on the lattice with the expectations, when the CCRs are assumed to be strictly obeyed. Only for sufficiently smooth eigenfunctions does this lead to reasonable results. In the long time limit the use of the CCRs can lead to a qualitatively wrong dynamics even if the initial state is in the dense set

  10. Convergence analysis of canonical genetic algorithms.

    Science.gov (United States)

    Rudolph, G

    1994-01-01

    This paper analyzes the convergence properties of the canonical genetic algorithm (CGA) with mutation, crossover and proportional reproduction applied to static optimization problems. It is proved by means of homogeneous finite Markov chain analysis that a CGA will never converge to the global optimum regardless of the initialization, crossover, operator and objective function. But variants of CGA's that always maintain the best solution in the population, either before or after selection, are shown to converge to the global optimum due to the irreducibility property of the underlying original nonconvergent CGA. These results are discussed with respect to the schema theorem.

  11. A canonical form of the equation of motion of linear dynamical systems

    Science.gov (United States)

    Kawano, Daniel T.; Salsa, Rubens Goncalves; Ma, Fai; Morzfeld, Matthias

    2018-03-01

    The equation of motion of a discrete linear system has the form of a second-order ordinary differential equation with three real and square coefficient matrices. It is shown that, for almost all linear systems, such an equation can always be converted by an invertible transformation into a canonical form specified by two diagonal coefficient matrices associated with the generalized acceleration and displacement. This canonical form of the equation of motion is unique up to an equivalence class for non-defective systems. As an important by-product, a damped linear system that possesses three symmetric and positive definite coefficients can always be recast as an undamped and decoupled system.

  12. Canonical Ensemble Model for Black Hole Horizon of Schwarzschild ...

    Indian Academy of Sciences (India)

    Abstract. In this paper, we use the canonical ensemble model to discuss the radiation of a Schwarzschild–de Sitter black hole on the black hole horizon. Using this model, we calculate the probability distribution from function of the emission shell. And the statistical meaning which compare with the distribution function is ...

  13. Fetal Outcomes among Grand Multiparous and Multiparous Women ...

    African Journals Online (AJOL)

    Objective: To compare fetal outcomes among grand multiparous (para 5-9) and multiparous (para 2-4) delivering in Mulago hospital, Uganda. Design: Prospective cohort study. Setting: Mulago hospital, Uganda. Subjects: One hundred and fifty six grand multiparous and multiparous women were recruited on admission in ...

  14. Molecular Simulation of Ionic Polyimides and Composites with Ionic Liquids as Gas-Separation Membranes.

    Science.gov (United States)

    Abedini, Asghar; Crabtree, Ellis; Bara, Jason E; Turner, C Heath

    2017-10-24

    Polyimides are at the forefront of advanced membrane materials for CO 2 capture and gas-purification processes. Recently, ionic polyimides (i-PIs) have been reported as a new class of condensation polymers that combine structural components of both ionic liquids (ILs) and polyimides through covalent linkages. In this study, we report CO 2 and CH 4 adsorption and structural analyses of an i-PI and an i-PI + IL composite containing [C 4 mim][Tf 2 N]. The combination of molecular dynamics (MD) and grand canonical Monte Carlo (GCMC) simulations is used to compute the gas solubility and the adsorption performance with respect to the density, fractional free volume (FFV), and surface area of the materials. Our results highlight the polymer relaxation process and its correlation to the gas solubility. In particular, the surface area can provide meaningful guidance with respect to the gas solubility, and it tends to be a more sensitive indicator of the adsorption behavior versus only considering the system density and FFV. For instance, as the polymer continues to relax, the density, FFV, and pore-size distribution remain constant while the surface area can continue to increase, enabling more adsorption. Structural analyses are also conducted to identify the nature of the gas adsorption once the ionic liquid is added to the polymer. The presence of the IL significantly displaces the CO 2 molecules from the ligand nitrogen sites in the neat i-PI to the imidazolium rings in the i-PI + IL composite. However, the CH 4 molecules move from the imidazolium ring sites in the neat i-PI to the ligand nitrogen atoms in the i-PI + IL composite. These molecular details can provide critical information for the experimental design of highly selective i-PI materials as well as provide additional guidance for the interpretation of the simulated adsorption systems.

  15. A Formal Derivation of the Gibbs Entropy for Classical Systems Following the Schrodinger Quantum Mechanical Approach

    Science.gov (United States)

    Santillan, M.; Zeron, E. S.; Del Rio-Correa, J. L.

    2008-01-01

    In the traditional statistical mechanics textbooks, the entropy concept is first introduced for the microcanonical ensemble and then extended to the canonical and grand-canonical cases. However, in the authors' experience, this procedure makes it difficult for the student to see the bigger picture and, although quite ingenuous, the subtleness of…

  16. Induction of Canonical Wnt Signaling by the Alarmins S100A8/A9 in Murine Knee Joints: Implications for Osteoarthritis

    NARCIS (Netherlands)

    Bosch, M.H.J. van den; Blom, A.B.; Schelbergen, R.F.P.; Vogl, T.; Roth, J.P.; Sloetjes, A.W.; Berg, W.B. van den; Kraan, P.M. van der; Lent, P.L. van

    2016-01-01

    OBJECTIVE: Both alarmins S100A8/A9 and canonical Wnt signaling have been found to play active roles in the development of experimental osteoarthritis (OA). However, what activates canonical Wnt signaling remains unknown. This study was undertaken to investigate whether S100A8 induces canonical Wnt

  17. Algorithm for advanced canonical coding of planar chemical structures that considers stereochemical and symmetric information.

    Science.gov (United States)

    Koichi, Shungo; Iwata, Satoru; Uno, Takeaki; Koshino, Hiroyuki; Satoh, Hiroko

    2007-01-01

    We describe a rigorous and fast algorithm for advanced canonical coding of planar chemical structures based on the algorithm of Faulon et al. (J. Chem. Inf. Comput. Sci. 2004, 44, 427-436). Our algorithm works well even for highly symmetric structures; moreover, an advantage of our algorithm includes providing a rigorous canonical numbering of atoms with a consideration of stereochemistry and recognizing symmetric moieties. The planar structural line notation with the canonical numbering is also fit for use with stereochemical line notation. These capabilities are usable for general purposes in chemical structural coding and are particularly essential for detecting equivalent atoms in NMR studies. This algorithm was implemented on a 13C NMR chemical shift prediction system CAST/CNMR. Applications of the algorithm to several organic compounds demonstrate the practical efficiency of the rigorous coding.

  18. Asymptotically safe grand unification

    Energy Technology Data Exchange (ETDEWEB)

    Bajc, Borut [J. Stefan Institute,1000 Ljubljana (Slovenia); Sannino, Francesco [CP-Origins & the Danish IAS, University of Southern Denmark,Campusvej 55, DK-5230 Odense M (Denmark); Université de Lyon, France, Université Lyon 1, CNRS/IN2P3, UMR5822 IPNL,F-69622 Villeurbanne Cedex (France)

    2016-12-28

    Phenomenologically appealing supersymmetric grand unified theories have large gauge representations and thus are not asymptotically free. Their ultraviolet validity is limited by the appearance of a Landau pole well before the Planck scale. One could hope that these theories save themselves, before the inclusion of gravity, by generating an interacting ultraviolet fixed point, similar to the one recently discovered in non-supersymmetric gauge-Yukawa theories. Employing a-maximization, a-theorem, unitarity bounds, as well as positivity of other central charges we nonperturbatively rule out this possibility for a broad class of prime candidates of phenomenologically relevant supersymmetric grand unified theories. We also uncover candidates passing these tests, which have either exotic matter or contain one field decoupled from the superpotential. The latter class of theories contains a model with the minimal matter content required by phenomenology.

  19. From Classical to Quantum: New Canonical Tools for the Dynamics of Gravity

    Science.gov (United States)

    Höhn, P. A.

    2012-05-01

    In a gravitational context, canonical methods offer an intuitive picture of the dynamics and simplify an identification of the degrees of freedom. Nevertheless, extracting dynamical information from background independent approaches to quantum gravity is a highly non-trivial challenge. In this thesis, the conundrum of (quantum) gravitational dynamics is approached from two different directions by means of new canonical tools. This thesis is accordingly divided into two parts: In the first part, a general canonical formalism for discrete systems featuring a variational action principle is developed which is equivalent to the covariant formulation following directly from the action. This formalism can handle evolving phase spaces and is thus appropriate for describing evolving lattices. Attention will be devoted to a characterization of the constraints, symmetries and degrees of freedom appearing in such discrete systems which, in the case of evolving phase spaces, is time step dependent. The advantage of this formalism is that it does not depend on the particular discretization and, hence, is suitable for coarse graining procedures. This formalism is applicable to discrete mechanics, lattice field theories and discrete gravity models---underlying some approaches to quantum gravity---and, furthermore, may prove useful for numerical imple mentations. For concreteness, these new tools are employed to formulate Regge Calculus canonically as a theory of the dynamics of discrete hypersurfaces in discrete spacetimes, thereby removing a longstanding obstacle to connecting covariant simplicial gravity models with canonical frameworks. This result is interesting in view of several background independent approaches to quantum gravity. In addition, perturbative expansions around symmetric background solutions of Regge Calculus are studied up to second order. Background gauge modes generically become propagating at second order as a consequence of a symmetry breaking. In the

  20. Lorentz covariant canonical symplectic algorithms for dynamics of charged particles

    Science.gov (United States)

    Wang, Yulei; Liu, Jian; Qin, Hong

    2016-12-01

    In this paper, the Lorentz covariance of algorithms is introduced. Under Lorentz transformation, both the form and performance of a Lorentz covariant algorithm are invariant. To acquire the advantages of symplectic algorithms and Lorentz covariance, a general procedure for constructing Lorentz covariant canonical symplectic algorithms (LCCSAs) is provided, based on which an explicit LCCSA for dynamics of relativistic charged particles is built. LCCSA possesses Lorentz invariance as well as long-term numerical accuracy and stability, due to the preservation of a discrete symplectic structure and the Lorentz symmetry of the system. For situations with time-dependent electromagnetic fields, which are difficult to handle in traditional construction procedures of symplectic algorithms, LCCSA provides a perfect explicit canonical symplectic solution by implementing the discretization in 4-spacetime. We also show that LCCSA has built-in energy-based adaptive time steps, which can optimize the computation performance when the Lorentz factor varies.

  1. Distinctive Roles of Canonical and Noncanonical Wnt Signaling in Human Embryonic Cardiomyocyte Development

    Directory of Open Access Journals (Sweden)

    Silvia Mazzotta

    2016-10-01

    Full Text Available Wnt signaling is a key regulator of vertebrate heart development; however, specific roles for human cardiomyocyte development remain uncertain. Here we use human embryonic stem cells (hESCs to analyze systematically in human cardiomyocyte development the expression of endogenous Wnt signaling components, monitor pathway activity, and dissect stage-specific requirements for canonical and noncanonical Wnt signaling mechanisms using small-molecule inhibitors. Our analysis suggests that WNT3 and WNT8A, via FZD7 and canonical signaling, regulate BRACHYURY expression and mesoderm induction; that WNT5A/5B, via ROR2 and noncanonical signaling, regulate MESP1 expression and cardiovascular development; and that later in development WNT2, WNT5A/5B, and WNT11, via FZD4 and FZD6, regulate functional cardiomyocyte differentiation via noncanonical Wnt signaling. Our findings confirm in human development previously proposed roles for canonical Wnt signaling in sequential stages of vertebrate cardiomyogenesis, and identify more precise roles for noncanonical signaling and for individual Wnt signal and Wnt receptor genes in human cardiomyocyte development.

  2. A QQ→QQ planar double box in canonical form

    Directory of Open Access Journals (Sweden)

    Marco S. Bianchi

    2018-02-01

    Full Text Available We consider a planar double box with four massive external momenta and two massive internal propagators. We derive the system of differential equations for the relevant master integrals, cast it in canonical form, write it as a dlog form and solve it in terms of iterated integrals up to depth four.

  3. Nonbijective canonical transformations and applications to some dynamical systems

    International Nuclear Information System (INIS)

    Negadi, T.

    1988-01-01

    A first part is devoted to a presentation of a simplified formalism concerning non-bijective canonical transformations and to an interpretation of some of them in the framework on the theory of Lie algebras. In particular, the well-known Levi-Civita and Kustaanheimo-Stiefel transformations are generalized to the non-compact case and to the dimensions 2, 4 and 8. The differential and geometrical properties of the so-called Hurwitz transformations as well as their interpretation in terms of Lie algebras under constraints are given. A second part is concerned with the application of certain non-bijective canonical transformations (and in particular the Kustaanheimo-Stiefel transformation) to some dynamical systems of interest in theoretical and in chemical physics. The applications concern especially hydrogenoid systems, free or embedded in static and uniform electromagnetic fields, and systems presenting a line of singularity (as the Hartmann system, the Aharonov-Bohm system, and the dyonium system). The Kustaanheimo-Stiefel transformation allows to convert the Schroedinger equations for the later systems into Schroedinger equations for oscillators (harmonic, anharmonic, non-harmonic) in 2 or 4 dimensions [fr

  4. Canonical Yang-Mills field theory with invariant gauge-families

    International Nuclear Information System (INIS)

    Yokoyama, Kan-ichi

    1978-01-01

    A canonical Yang-Mills field theory with indefinite metric is presented on the basis of a covariant gauge formalism for quantum electrodynamics. As the first step of the formulation, a many-gauge-field problem, in which many massless Abelian-gauge fields coexist, is treated from a new standpoint. It is shown that only a single pair of a gaugeon field and its associated one can govern the gauge structure of the whole system. The result obtained is further extended to cases of non-Abelian gauge theories. Gauge parameters for respective components of the Yang-Mills fields are introduced as a group vector. There exists a q-number local gauge transformation which connects relevant fields belonging to the same invariant gauge family with one another in a manifestly covariant way. In canonical quantization, the Faddeev-Popov ghosts are introduced in order to guarantee the existence of a desirable physical subspace with positive semi-definite metric. As to treatment of the Faddeev-Popov ghosts, Kugo and Ojima's approach is adopted. Three supplementary conditions which are consistent with one another constrain the physical subspace. (author)

  5. Ethanol Decreases Inflammatory Response in Human Lung Epithelial Cells by Inhibiting the Canonical NF-kB-Pathway

    Directory of Open Access Journals (Sweden)

    Katharina Mörs

    2017-08-01

    Full Text Available Background/Aims: Alcohol (ethanol, EtOH as significant contributor to traumatic injury is linked to suppressed inflammatory response, thereby influencing clinical outcomes. Alcohol-induced immune-suppression during acute inflammation (trauma was linked to nuclear factor-kappaB (NF-ĸB. Here, we analyzed alcohol`s effects and mechanisms underlying its influence on NF-ĸB-signaling during acute inflammation in human lung epithelial cells. Methods: A549-cells were stimulated with interleukin (IL-1β, or sera from trauma patients (TP or healthy volunteers, with positive/negative blood alcohol concentrations (BAC, and subsequently exposed to EtOH (170 Mm, 1h. IL-6-release and neutrophil adhesion to A549 were analyzed. Specific siRNA-NIK mediated downregulation of non-canonical, and IKK-NBD-inhibition of canonical NF-ĸB signaling were performed. Nuclear levels of activated p50 and p52 NF-ĸB-subunits were detected using TransAm ELISA. Results: Both stimuli significantly induced IL-6-release (39.79±4.70 vs. 0.58±0.8 pg/ml and neutrophil adhesion (132.30±8.80 vs. 100% control, p<0.05 to A549-cells. EtOH significantly decreased IL-6-release (22.90±5.40, p<0.05 and neutrophil adherence vs. controls (105.40±14.5%, p<0.05. IL-1β-induced significant activation of canonical/p50 and non-canonical/p52 pathways. EtOH significantly reduced p50 (34.90±23.70 vs. 197.70±36.43, p<0.05 not p52 activation. Inhibition of canonical pathway was further increased by EtOH (less p50-activation, while p52 remained unaltered. Inhibition of non-canonical pathway was unchanged by EtOH. Conclusion: Here, alcohol`s anti-inflammatory effects are mediated via decreasing nuclear levels of activated p50-subunit and canonical NF-ĸB signaling pathway.

  6. Ethanol Decreases Inflammatory Response in Human Lung Epithelial Cells by Inhibiting the Canonical NF-kB-Pathway.

    Science.gov (United States)

    Mörs, Katharina; Hörauf, Jason-Alexander; Kany, Shinwan; Wagner, Nils; Sturm, Ramona; Woschek, Mathias; Perl, Mario; Marzi, Ingo; Relja, Borna

    2017-01-01

    Alcohol (ethanol, EtOH) as significant contributor to traumatic injury is linked to suppressed inflammatory response, thereby influencing clinical outcomes. Alcohol-induced immune-suppression during acute inflammation (trauma) was linked to nuclear factor-kappaB (NF-ĸB). Here, we analyzed alcohol`s effects and mechanisms underlying its influence on NF-ĸB-signaling during acute inflammation in human lung epithelial cells. A549-cells were stimulated with interleukin (IL)-1β, or sera from trauma patients (TP) or healthy volunteers, with positive/negative blood alcohol concentrations (BAC), and subsequently exposed to EtOH (170 Mm, 1h). IL-6-release and neutrophil adhesion to A549 were analyzed. Specific siRNA-NIK mediated downregulation of non-canonical, and IKK-NBD-inhibition of canonical NF-ĸB signaling were performed. Nuclear levels of activated p50 and p52 NF-ĸB-subunits were detected using TransAm ELISA. Both stimuli significantly induced IL-6-release (39.79±4.70 vs. 0.58±0.8 pg/ml) and neutrophil adhesion (132.30±8.80 vs. 100% control, p<0.05) to A549-cells. EtOH significantly decreased IL-6-release (22.90±5.40, p<0.05) and neutrophil adherence vs. controls (105.40±14.5%, p<0.05). IL-1β-induced significant activation of canonical/p50 and non-canonical/p52 pathways. EtOH significantly reduced p50 (34.90±23.70 vs. 197.70±36.43, p<0.05) not p52 activation. Inhibition of canonical pathway was further increased by EtOH (less p50-activation), while p52 remained unaltered. Inhibition of non-canonical pathway was unchanged by EtOH. Here, alcohol`s anti-inflammatory effects are mediated via decreasing nuclear levels of activated p50-subunit and canonical NF-ĸB signaling pathway. © 2017 The Author(s). Published by S. Karger AG, Basel.

  7. Canonical correlation analysis of professional stress,social support,and professional burnout among low-rank army officers

    Directory of Open Access Journals (Sweden)

    Chuan-yun LI

    2011-12-01

    Full Text Available Objective The present study investigates the influence of professional stress and social support on professional burnout among low-rank army officers.Methods The professional stress,social support,and professional burnout scales among low-rank army officers were used as test tools.Moreover,the officers of established units(battalion,company,and platoon were chosen as test subjects.Out of the 260 scales sent,226 effective scales were received.The descriptive statistic and canonical correlation analysis models were used to analyze the influence of each variable.Results The scores of low-rank army officers in the professional stress,social support,and professional burnout scales were more than average,except on two factors,namely,interpersonal support and de-individualization.The canonical analysis identified three groups of canonical correlation factors,of which two were up to a significant level(P < 0.001.After further eliminating the social support variable,the canonical correlation analysis of professional stress and burnout showed that the canonical correlation coefficients P corresponding to 1 and 2 were 0.62 and 0.36,respectively,and were up to a very significant level(P < 0.001.Conclusion The low-rank army officers experience higher professional stress and burnout levels,showing a lower sense of accomplishment,emotional exhaustion,and more serious depersonalization.However,social support can reduce the onset and seriousness of professional burnout among these officers by lessening pressure factors,such as career development,work features,salary conditions,and other personal factors.

  8. Canonical perturbation theory in linearized general relativity theory

    International Nuclear Information System (INIS)

    Gonzales, R.; Pavlenko, Yu.G.

    1986-01-01

    Canonical perturbation theory in linearized general relativity theory is developed. It is shown that the evolution of arbitrary dynamic value, conditioned by the interaction of particles, gravitation and electromagnetic fields, can be presented in the form of a series, each member of it corresponding to the contribution of certain spontaneous or induced process. The main concepts of the approach are presented in the approximation of a weak gravitational field

  9. Canonical realizations of B2 approximately C2 Lie algebras

    International Nuclear Information System (INIS)

    Iosifescu, M.; Scutaru, H.

    1982-12-01

    Canonical realizations associated to subrepresentations of ad x ad, for B 2 apppoximately C 2 semisimple Lie algebras, have been determined. An algebraic foundation has been obtained for the constraints satisfied by the dinamical variables of the classical limit of the generalized Helium problem. (authors)

  10. Change detection in bi-temporal data by canonical information analysis

    DEFF Research Database (Denmark)

    Nielsen, Allan Aasbjerg; Vestergaard, Jacob Schack

    2015-01-01

    combinations with the information theoretical measure mutual information (MI). We term this type of analysis canonical information analysis (CIA). MI allows for the actual joint distribution of the variables involved and not just second order statistics. Where CCA is ideal for Gaussian data, CIA facilitates...

  11. Spin glass transition in canonical AuFe alloys: A numerical study

    International Nuclear Information System (INIS)

    Zhang, Kai-Cheng; Li, Yong-Feng; Liu, Gui-Bin; Zhu, Yan

    2012-01-01

    Although spin glass transitions have long been observed in diluted magnetic alloys, e.g. AuFe and CuMn alloys, previous numerical studies are not completely consistent with the experiment results. The abnormal critical exponents of the alloys remain still puzzling. By employing parallel tempering algorithm with finite-size scaling analysis, we investigated the phase transitions in canonical AuFe alloys. Our results strongly support that spin glass transitions occur at finite temperatures in the alloys. The calculated critical exponents agree well with those obtained from experiments. -- Highlights: ► By simulation we investigated the abnormal critical exponents observed in canonical SG alloys. ► The critical exponents obtained from our simulations agree well with those measured from experiments. ► Our results strongly support that RKKY interactions lead to SG transitions at finite temperatures.

  12. Generalized second law of thermodynamics for non-canonical scalar field model with corrected-entropy

    International Nuclear Information System (INIS)

    Das, Sudipta; Mamon, Abdulla Al; Debnath, Ujjal

    2015-01-01

    In this work, we have considered a non-canonical scalar field dark energy model in the framework of flat FRW background. It has also been assumed that the dark matter sector interacts with the non-canonical dark energy sector through some interaction term. Using the solutions for this interacting non-canonical scalar field dark energy model, we have investigated the validity of generalized second law (GSL) of thermodynamics in various scenarios using first law and area law of thermodynamics. For this purpose, we have assumed two types of horizons viz apparent horizon and event horizon for the universe and using first law of thermodynamics, we have examined the validity of GSL on both apparent and event horizons. Next, we have considered two types of entropy-corrections on apparent and event horizons. Using the modified area law, we have examined the validity of GSL of thermodynamics on apparent and event horizons under some restrictions of model parameters. (orig.)

  13. Modern Canonical Quantum General Relativity;

    International Nuclear Information System (INIS)

    Kiefer, Claus

    2008-01-01

    The open problem of constructing a consistent and experimentally tested quantum theory of the gravitational field has its place at the heart of fundamental physics. The main approaches can be roughly divided into two classes: either one seeks a unified quantum framework of all interactions or one starts with a direct quantization of general relativity. In the first class, string theory (M-theory) is the only known example. In the second class, one can make an additional methodological distinction: while covariant approaches such as path-integral quantization use the four-dimensional metric as an essential ingredient of their formalism, canonical approaches start with a foliation of spacetime into spacelike hypersurfaces in order to arrive at a Hamiltonian formulation. The present book is devoted to one of the canonical approaches-loop quantum gravity. It is named modern canonical quantum general relativity by the author because it uses connections and holonomies as central variables, which are analogous to the variables used in Yang-Mills theories. In fact, the canonically conjugate variables are a holonomy of a connection and the flux of a non-Abelian electric field. This has to be contrasted with the older geometrodynamical approach in which the metric of three-dimensional space and the second fundamental form are the fundamental entities, an approach which is still actively being pursued. It is the author's ambition to present loop quantum gravity in a way in which every step is formulated in a mathematically rigorous form. The formal Leitmotiv of loop quantum gravity is background independence. Non-gravitational theories are usually quantized on a given non-dynamical background. In contrast, due to the geometrical nature of gravity, no such background exists in quantum gravity. Instead, the notion of a background is supposed to emerge a posteriori as an approximate notion from quantum states of geometry. As a consequence, the standard ultraviolet divergences of

  14. IUS CONNUBII: Canonical Dimension

    Directory of Open Access Journals (Sweden)

    Silma Mendes Berti

    2018-03-01

    Full Text Available anon Law, in regulating under Can.1058 the "ius connubii", lays down that: "All those who are not prohibited from doing so by law may contract matrimony." This disposition, although apparently simple, has a wide and deep range of implications, questionings and possibilities for investigation, especially as it involves an extremely delicate relationship. A perfect combination of law and sacrament, the "ius connubii", in its close relationship with the constitution of the family, which is the sanctuary of Love, is an important problem, which faces the legislator, both in the legislation of the State, specifically in Civil Law, and in that of the Church. As the general principle of the canonical matrimonial system, "ius connubii' is the source of interpretation of all rules concerning matrimony, especially when it comes to the distinction between sacramental reality and liturgical ceremony. This is the fact, which is the basis of our reflections.

  15. Research of the Rio Grande Ecosystem Management Program

    Science.gov (United States)

    Deborah M. Finch

    2000-01-01

    This paper describes the mission, objectives, and preliminary results of the Middle Rio Grande Ecosystem Management Research Program managed at the Rocky Mountain Research Station's Albuquerque laboratory. This program was initiated in 1994 to address growing pressures to effectively manage the limited resources of the middle Rio Grande Basin. The program is...

  16. Grand Prix Eurovision: Eine Fankultur im Medienzeitalter

    Directory of Open Access Journals (Sweden)

    Heinz Moser

    2017-06-01

    Full Text Available Der Grand Prix Eurovision ist seit Jahrzehnten eine der bekanntesten Unterhaltungssendungen im europäischen Raum. Dennoch erregte es Verwunderung, wenn der Schreibende Bekannten darüber berichtete, daß dies ein Forschungsgegenstand sei. Wurde von Interviews mit Grand Prix-Fans erzählt, so fielen schnell Aussagen wie: „Wie kann man sich nur für so etwas Abseitiges und Triviales wie den Grand Prix interessieren“. Dennoch bin ich der Meinung, daß Fankulturen für die entstehende Mediengesellschaft ein nicht unwichtiges Forschungsthema darstellen. Zwar geht es nicht um eine medienpädagogische Fragestellung im engeren Sinne; die Fans des Grand Prix Eurovision sind dem Jugendalter längst entwachsen. Dennoch handelt es sich bei Fangemeinschaften um Phänomene, die im Rahmen von Jugend- und Kinderkulturen von besonderer Relevanz sind. So meint Winter (1997, daß jugendliche Fanwelten eine bedeutende Rolle als Kristallisationspunkte kultureller Differenzierung spielen: ,Die Zugehörigkeit zu einer Fan weit ist Teil der jugendlichen Lebensbewältigung in der Postmoderne, denn in der Gemeinschaft der Fans können Jugendliche emotionale Allianzen eingehen, außeralltäglichen Beschäftigungen nachgehen, expressive Identitätsmuster gemeinschaftlich realisieren und sich mit ihrer Lebenssituation als Heranwachsende auseinandersetzen“ (Winter 1997, S. 51f..

  17. Canonical formalism for coupled beam optics

    International Nuclear Information System (INIS)

    Kheifets, S.A.

    1989-09-01

    Beam optics of a lattice with an inter-plane coupling is treated using canonical Hamiltonian formalism. The method developed is equally applicable both to a circular (periodic) machine and to an open transport line. A solution of the equation of a particle motion (and correspondingly transfer matrix between two arbitrary points of the lattice) are described in terms of two amplitude functions (and their derivatives and corresponding phases of oscillations) and four coupling functions, defined by a solution of the system of the first-order nonlinear differential equations derived in the paper. Thus total number of independent parameters is equal to ten. 8 refs

  18. Path integrals for arbitrary canonical transformations

    International Nuclear Information System (INIS)

    Oliveira, L.A.R. de.

    1980-01-01

    Some aspects of the path integral formulation of quantum mechanics are studied. This formalism is generalized to arbitrary canonical transformations, by means of an association between path integral probalility amplitudes and classical generators of transformations, analogous to the usual Hamiltonian time development phase space expression. Such association turns out to be equivalent to the Weyl quantization rule, and it is also shown that this formalism furnishes a path integral representation for a Lie algebra of a given set of classical generators. Some physical considerations about the path integral quantization procedure and about the relationship between classical and quantum dynamical structures are also discussed. (Author) [pt

  19. A Synthetic Alternative to Canonical One-Carbon Metabolism.

    Science.gov (United States)

    Bouzon, Madeleine; Perret, Alain; Loreau, Olivier; Delmas, Valérie; Perchat, Nadia; Weissenbach, Jean; Taran, Frédéric; Marlière, Philippe

    2017-08-18

    One-carbon metabolism is an ubiquitous metabolic pathway that encompasses the reactions transferring formyl-, hydroxymethyl- and methyl-groups bound to tetrahydrofolate for the synthesis of purine nucleotides, thymidylate, methionine and dehydropantoate, the precursor of coenzyme A. An alternative cyclic pathway was designed that substitutes 4-hydroxy-2-oxobutanoic acid (HOB), a compound absent from known metabolism, for the amino acids serine and glycine as one-carbon donors. It involves two novel reactions, the transamination of l-homoserine and the transfer of a one-carbon unit from HOB to tetrahydrofolate releasing pyruvate as coproduct. Since canonical reactions regenerate l-homoserine from pyruvate by carboxylation and subsequent reduction, every one-carbon moiety made available for anabolic reactions originates from CO 2 . The HOB-dependent pathway was established in an Escherichia coli auxotroph selected for prototrophy using long-term cultivation protocols. Genetic, metabolic and biochemical evidence support the emergence of a functional HOB-dependent one-carbon pathway achieved with the recruitment of the two enzymes l-homoserine transaminase and HOB-hydroxymethyltransferase and of HOB as an essential metabolic intermediate. Escherichia coli biochemical reprogramming was achieved by minimally altering canonical metabolism and leveraging on natural selection mechanisms, thereby launching the resulting strain on an evolutionary trajectory diverging from all known extant species.

  20. Structure of multiphoton quantum optics. I. Canonical formalism and homodyne squeezed states

    Science.gov (United States)

    dell'Anno, Fabio; de Siena, Silvio; Illuminati, Fabrizio

    2004-03-01

    We introduce a formalism of nonlinear canonical transformations for general systems of multiphoton quantum optics. For single-mode systems the transformations depend on a tunable free parameter, the homodyne local-oscillator angle; for n -mode systems they depend on n heterodyne mixing angles. The canonical formalism realizes nontrivial mixing of pairs of conjugate quadratures of the electromagnetic field in terms of homodyne variables for single-mode systems, and in terms of heterodyne variables for multimode systems. In the first instance the transformations yield nonquadratic model Hamiltonians of degenerate multiphoton processes and define a class of non-Gaussian, nonclassical multiphoton states that exhibit properties of coherence and squeezing. We show that such homodyne multiphoton squeezed states are generated by unitary operators with a nonlinear time evolution that realizes the homodyne mixing of a pair of conjugate quadratures. Tuning of the local-oscillator angle allows us to vary at will the statistical properties of such states. We discuss the relevance of the formalism for the study of degenerate (up-)down-conversion processes. In a companion paper [ F. Dell’Anno, S. De Siena, and F. Illuminati, 69, 033813 (2004) ], we provide the extension of the nonlinear canonical formalism to multimode systems, we introduce the associated heterodyne multiphoton squeezed states, and we discuss their possible experimental realization.