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Sample records for complex symmetric linear

  1. Conjugate gradient type methods for linear systems with complex symmetric coefficient matrices

    NASA Technical Reports Server (NTRS)

    Freund, Roland

    1989-01-01

    We consider conjugate gradient type methods for the solution of large sparse linear system Ax equals b with complex symmetric coefficient matrices A equals A(T). Such linear systems arise in important applications, such as the numerical solution of the complex Helmholtz equation. Furthermore, most complex non-Hermitian linear systems which occur in practice are actually complex symmetric. We investigate conjugate gradient type iterations which are based on a variant of the nonsymmetric Lanczos algorithm for complex symmetric matrices. We propose a new approach with iterates defined by a quasi-minimal residual property. The resulting algorithm presents several advantages over the standard biconjugate gradient method. We also include some remarks on the obvious approach to general complex linear systems by solving equivalent real linear systems for the real and imaginary parts of x. Finally, numerical experiments for linear systems arising from the complex Helmholtz equation are reported.

  2. Iterative methods for the solution of very large complex symmetric linear systems of equations in electrodynamics

    SciTech Connect

    Clemens, M.; Weiland, T.

    1996-12-31

    In the field of computational electrodynamics the discretization of Maxwell`s equations using the Finite Integration Theory (FIT) yields very large, sparse, complex symmetric linear systems of equations. For this class of complex non-Hermitian systems a number of conjugate gradient-type algorithms is considered. The complex version of the biconjugate gradient (BiCG) method by Jacobs can be extended to a whole class of methods for complex-symmetric algorithms SCBiCG(T, n), which only require one matrix vector multiplication per iteration step. In this class the well-known conjugate orthogonal conjugate gradient (COCG) method for complex-symmetric systems corresponds to the case n = 0. The case n = 1 yields the BiCGCR method which corresponds to the conjugate residual algorithm for the real-valued case. These methods in combination with a minimal residual smoothing process are applied separately to practical 3D electro-quasistatical and eddy-current problems in electrodynamics. The practical performance of the SCBiCG methods is compared with other methods such as QMR and TFQMR.

  3. Small diameter symmetric networks from linear groups

    NASA Technical Reports Server (NTRS)

    Campbell, Lowell; Carlsson, Gunnar E.; Dinneen, Michael J.; Faber, Vance; Fellows, Michael R.; Langston, Michael A.; Moore, James W.; Multihaupt, Andrew P.; Sexton, Harlan B.

    1992-01-01

    In this note is reported a collection of constructions of symmetric networks that provide the largest known values for the number of nodes that can be placed in a network of a given degree and diameter. Some of the constructions are in the range of current potential engineering significance. The constructions are Cayley graphs of linear groups obtained by experimental computation.

  4. 2d PDE Linear Symmetric Matrix Solver

    Energy Science and Technology Software Center (ESTSC)

    1983-10-01

    ICCG2 (Incomplete Cholesky factorized Conjugate Gradient algorithm for 2d symmetric problems) was developed to solve a linear symmetric matrix system arising from a 9-point discretization of two-dimensional elliptic and parabolic partial differential equations found in plasma physics applications, such as resistive MHD, spatial diffusive transport, and phase space transport (Fokker-Planck equation) problems. These problems share the common feature of being stiff and requiring implicit solution techniques. When these parabolic or elliptic PDE''s are discretized withmore » finite-difference or finite-element methods,the resulting matrix system is frequently of block-tridiagonal form. To use ICCG2, the discretization of the two-dimensional partial differential equation and its boundary conditions must result in a block-tridiagonal supermatrix composed of elementary tridiagonal matrices. The incomplete Cholesky conjugate gradient algorithm is used to solve the linear symmetric matrix equation. Loops are arranged to vectorize on the Cray1 with the CFT compiler, wherever possible. Recursive loops, which cannot be vectorized, are written for optimum scalar speed. For matrices lacking symmetry, ILUCG2 should be used. Similar methods in three dimensions are available in ICCG3 and ILUCG3. A general source containing extensions and macros, which must be processed by a pre-compiler to obtain the standard FORTRAN source, is provided along with the standard FORTRAN source because it is believed to be more readable. The pre-compiler is not included, but pre-compilation may be performed by a text editor as described in the UCRL-88746 Preprint.« less

  5. Experimental scheme for unambiguous discrimination of linearly independent symmetric states

    SciTech Connect

    Jimenez, O.; Burgos-Inostroza, E.; Delgado, A.; Saavedra, C.; Sanchez-Lozano, X.

    2007-12-15

    We propose an experimental setup for discriminating four linearly independent nonorthogonal symmetric quantum states. The setup is based on linear optics only and can be configured to implement both optimal unambiguous state discrimination [Chefles and Barnett, Phys. Lett. A 250, 223 (1998)] and minimum error discrimination. In both cases, the setup is characterized by an optimal success probability. The experimental setup can be generalized to the case of discrimination among N linearly nonorthogonal symmetric quantum states. We also study the discrimination between two incoherent superpositions of symmetric states. In this case, the setup also achieves an optimal success probability in the case of unambiguous discrimination as well as minimum error discrimination.

  6. Optical solitons in the parity-time-symmetric Bessel complex potential

    NASA Astrophysics Data System (ADS)

    Hu, Sumei; Hu, Wei

    2012-11-01

    Optical solitons in the parity-time (PT)-symmetric Bessel complex potential are studied, including the linear case, and self-focusing and self-defocusing nonlinear cases. For the linear case, the PT-symmetric breaking points, eigenvalues and the eigenfunction for different modulated depths of the PT-symmetric Bessel complex potential are obtained numerically. The PT-symmetric breaking points increase linearly with increasing the real part of the modulated depths of the PT potential. Below the PT-symmetric breaking points, the eigenfunctions of linear modes are symmetrical; however, the symmetries of the eigenfunction break above the PT-symmetric breaking points. For nonlinear cases, the existence and stability of fundamental and multipole solitons are studied in self-focusing and self-defocusing media. The eigenvalue for the linear case is equal to the critical propagation constant bc of the existing soliton. Fundamental solitons are stable in the whole region and multipole solitons are stable with the propagation constants being close to bc both for self-focusing and self-defocusing nonlinearities. The range of solitons’ stability decreases with an increase of the number of the intensity peaks of the solitons.

  7. Evolution of linear perturbations in spherically symmetric dust spacetimes

    NASA Astrophysics Data System (ADS)

    February, S.; Larena, J.; Clarkson, C.; Pollney, D.

    2014-09-01

    We present results from a numerical code implementing a new method to solve the master equations describing the evolution of linear perturbations in a spherically symmetric but inhomogeneous background. This method can be used to simulate several configurations of physical interest, such as relativistic corrections to structure formation, the lensing of gravitational waves (GWs) and the evolution of perturbations in a cosmological void model. This paper focuses on the latter problem, i.e. structure formation in a Hubble scale void in the linear regime. This is considerably more complicated than linear perturbations of a homogeneous and isotropic background because the inhomogeneous background leads to coupling between density perturbations and rotational modes of the spacetime geometry, as well as GWs. Previous analyses of this problem ignored this coupling in the hope that the approximation does not affect the overall dynamics of structure formation in such models. We show that for a giga-parsec void, the evolution of the density contrast is well approximated by the previously studied decoupled evolution only for very large-scale modes. However, the evolution of the gravitational potentials within the void is inaccurate at more than the 10% level, and is even worse on small scales.

  8. Passive PT -symmetric couplers without complex optical potentials

    NASA Astrophysics Data System (ADS)

    Lee, Yi-Chan; Liu, Jibing; Chuang, You-Lin; Hsieh, Min-Hsiu; Lee, Ray-Kuang

    2015-11-01

    In addition to the implementation of parity-time-(PT -) symmetric optical systems by carefully and actively controlling the gain and loss, we show that a 2 ×2 PT -symmetric Hamiltonian has a unitarily equivalent representation without complex optical potentials in the resulting optical coupler. Through the Naimark dilation in operator algebra, passive PT -symmetric couplers can thus be implemented with a refractive index of real values and asymmetric coupling coefficients. This opens up the possibility to implement general PT -symmetric systems with state-of-the-art asymmetric slab waveguides, dissimilar optical fibers, or cavities with chiral mirrors.

  9. The solitons in parity-time symmetric mixed Bessel linear potential and modulated nonlinear lattices

    NASA Astrophysics Data System (ADS)

    Chen, Haibo; Hu, Sumei

    2014-12-01

    The optical solitons in parity-time (PT) symmetric mixed Bessel linear potential and modulated nonlinear lattices are studied, including linear case, and self-focusing modulated nonlinear lattices' cases. For linear case, the PT-breaking points, the eigenvalues and eigenfunction for different modulated depths of PT symmetry Bessel complex potential, are obtained numerically. The eigenvalue for linear case is equal to the critical propagation constant bc of soliton existence. With increasing of the depth of the nonlinear lattices, the power of fundamental solitons decreases and the beam width changes little, but the power of multipole solitons increases and the beam width decreases. Fundamental solitons are stable in the whole region and multipole solitons are stable with the propagation constants close to bc. The range of multipole solitons stability decreases with increasing of the depth of the nonlinear lattices.

  10. Nonlinear light behaviors near phase transition in non-parity-time-symmetric complex waveguides.

    PubMed

    Nixon, Sean; Yang, Jianke

    2016-06-15

    Many classes of non-parity-time (PT)-symmetric waveguides with arbitrary gain and loss distributions still possess all-real linear spectrum or exhibit phase transition. In this Letter, nonlinear light behaviors in these complex waveguides are probed analytically near a phase transition. Using multi-scale perturbation methods, a nonlinear ordinary differential equation (ODE) is derived for the light's amplitude evolution. This ODE predicts that a single class of these non-PT-symmetric waveguides supports soliton families and amplitude-oscillating solutions both above and below linear phase transition, in close analogy with PT-symmetric systems. For the other classes of waveguides, the light's intensity always amplifies under the effect of nonlinearity, even if the waveguide is below the linear phase transition. These analytical predictions are confirmed by direct computations of the full system. PMID:27304279

  11. Linear stability for some symmetric periodic simultaneous binary collision orbits in the four-body problem

    NASA Astrophysics Data System (ADS)

    Bakker, Lennard F.; Ouyang, Tiancheng; Yan, Duokui; Simmons, Skyler; Roberts, Gareth E.

    2010-10-01

    We apply the analytic-numerical method of Roberts to determine the linear stability of time-reversible periodic simultaneous binary collision orbits in the symmetric collinear four-body problem with masses 1, m, m, 1, and also in a symmetric planar four-body problem with equal masses. In both problems, the assumed symmetries reduce the determination of linear stability to the numerical computation of a single real number. For the collinear problem, this verifies the earlier numerical results of Sweatman for linear stability with respect to collinear and symmetric perturbations.

  12. Experimental beta limits of symmetric linear heliac configurations

    NASA Astrophysics Data System (ADS)

    Spanjers, G. G.; Nelson, B. A.; Ribe, F. L.; Jarboe, T. R.

    1994-08-01

    Helically symmetric heliac equilibria [H. P. Furth, Plasma Physics and Controlled Fusion Research (International Atomic Energy Agency, Vienna, 1966), Vol. 1, p. 103] are formed on the High Beta Q Machine (HBQM) [C. M. Greenfield, Phys. Fluids B 2, 133 (1990)] by using a fast-rising central conductor (hardcore) current in conjunction with a shock-heated l=1 stellarator configuration. The equilibria are found to possess a high global beta and the plasma pressure is approximately a flux-surface quantity. Under the effects of plasma, the magnetic well is found to deepen and the rotational transform is greatly increased and becomes highly sheared, owing to plasma currents induced by the fast-rising hardcore current. In the second phase of the experiment, the equilibrium fields of the symmetric heliac are lowered while maintaining the same shock heating in an attempt to raise the global beta. No substantial change in global beta is seen, indicating that the configuration forms at the beta limit in the shock-heated HBQM, and that the plasma beta seen in the first phase of the experiment is the symmetric heliac beta limit.

  13. Complex PT-symmetric nonlinear Schrödinger equation and Burgers equation.

    PubMed

    Yan, Zhenya

    2013-04-28

    The complex -symmetric nonlinear wave models have drawn much attention in recent years since the complex -symmetric extensions of the Korteweg-de Vries (KdV) equation were presented in 2007. In this review, we focus on the study of the complex -symmetric nonlinear Schrödinger equation and Burgers equation. First of all, we briefly introduce the basic property of complex symmetry. We then report on exact solutions of one- and two-dimensional nonlinear Schrödinger equations (known as the Gross-Pitaevskii equation in Bose-Einstein condensates) with several complex -symmetric potentials. Finally, some complex -symmetric extension principles are used to generate some complex -symmetric nonlinear wave equations starting from both -symmetric (e.g. the KdV equation) and non- -symmetric (e.g. the Burgers equation) nonlinear wave equations. In particular, we discuss exact solutions of some representative ones of the complex -symmetric Burgers equation in detail. PMID:23509385

  14. Algorithm 937: MINRES-QLP for Symmetric and Hermitian Linear Equations and Least-Squares Problems

    PubMed Central

    Choi, Sou-Cheng T.; Saunders, Michael A.

    2014-01-01

    We describe algorithm MINRES-QLP and its FORTRAN 90 implementation for solving symmetric or Hermitian linear systems or least-squares problems. If the system is singular, MINRES-QLP computes the unique minimum-length solution (also known as the pseudoinverse solution), which generally eludes MINRES. In all cases, it overcomes a potential instability in the original MINRES algorithm. A positive-definite pre-conditioner may be supplied. Our FORTRAN 90 implementation illustrates a design pattern that allows users to make problem data known to the solver but hidden and secure from other program units. In particular, we circumvent the need for reverse communication. Example test programs input and solve real or complex problems specified in Matrix Market format. While we focus here on a FORTRAN 90 implementation, we also provide and maintain MATLAB versions of MINRES and MINRES-QLP. PMID:25328255

  15. Algorithm 937: MINRES-QLP for Symmetric and Hermitian Linear Equations and Least-Squares Problems.

    PubMed

    Choi, Sou-Cheng T; Saunders, Michael A

    2014-02-01

    We describe algorithm MINRES-QLP and its FORTRAN 90 implementation for solving symmetric or Hermitian linear systems or least-squares problems. If the system is singular, MINRES-QLP computes the unique minimum-length solution (also known as the pseudoinverse solution), which generally eludes MINRES. In all cases, it overcomes a potential instability in the original MINRES algorithm. A positive-definite pre-conditioner may be supplied. Our FORTRAN 90 implementation illustrates a design pattern that allows users to make problem data known to the solver but hidden and secure from other program units. In particular, we circumvent the need for reverse communication. Example test programs input and solve real or complex problems specified in Matrix Market format. While we focus here on a FORTRAN 90 implementation, we also provide and maintain MATLAB versions of MINRES and MINRES-QLP. PMID:25328255

  16. Nonlinear light behaviors near phase transition in non-parity-time-symmetric complex waveguides

    NASA Astrophysics Data System (ADS)

    Nixon, Sean; Yang, Jianke

    2016-06-01

    Many classes of non-parity-time (PT) symmetric waveguides with arbitrary gain and loss distributions still possess all-real linear spectrum or exhibit phase transition. In this article, nonlinear light behaviors in these complex waveguides are probed analytically near a phase transition. Using multi-scale perturbation methods, a nonlinear ordinary differential equation (ODE) is derived for the light's amplitude evolution. This ODE predicts that the first class of these non-PT-symmetric waveguides support continuous families of solitons and robust amplitude-oscillating solutions both above and below phase transition, in close analogy with PT-symmetric systems. For the other classes of waveguides, the light's intensity always amplifies under the effect of nonlinearity even if the waveguide is below phase transition. These analytical predictions are confirmed by direct computations of the full system.

  17. Model-size reduction for the non-linear dynamic analysis of quasi-symmetric structures

    NASA Technical Reports Server (NTRS)

    Noor, Ahmed K.; Peters, Jeanne M.

    1987-01-01

    A numerical technique is developed to reduce the size of models describing the nonlinear dynamic response of quasi-symmetric structures (i.e., structures with unsymmetric geometry). The response vectors of the structure are approximated by a linear combination of the symmetric and antisymmetric vectors at each time step. The mathematical formulation and numerical implementation of the method are described in detail, and results for a shallow laminated anisotropic panel of quadrilateral planform are presented in graphs and normalized contour plots.

  18. Symmetric linear systems - An application of algebraic systems theory

    NASA Technical Reports Server (NTRS)

    Hazewinkel, M.; Martin, C.

    1983-01-01

    Dynamical systems which contain several identical subsystems occur in a variety of applications ranging from command and control systems and discretization of partial differential equations, to the stability augmentation of pairs of helicopters lifting a large mass. Linear models for such systems display certain obvious symmetries. In this paper, we discuss how these symmetries can be incorporated into a mathematical model that utilizes the modern theory of algebraic systems. Such systems are inherently related to the representation theory of algebras over fields. We will show that any control scheme which respects the dynamical structure either implicitly or explicitly uses the underlying algebra.

  19. A new Krylov-subspace method for symmetric indefinite linear systems

    SciTech Connect

    Freund, R.W.; Nachtigal, N.M.

    1994-10-01

    Many important applications involve the solution of large linear systems with symmetric, but indefinite coefficient matrices. For example, such systems arise in incompressible flow computations and as subproblems in optimization algorithms for linear and nonlinear programs. Existing Krylov-subspace iterations for symmetric indefinite systems, such as SYMMLQ and MINRES, require the use of symmetric positive definite preconditioners, which is a rather unnatural restriction when the matrix itself is highly indefinite with both many positive and many negative eigenvalues. In this note, the authors describe a new Krylov-subspace iteration for solving symmetric indefinite linear systems that can be combined with arbitrary symmetric preconditioners. The algorithm can be interpreted as a special case of the quasi-minimal residual method for general non-Hermitian linear systems, and like the latter, it produces iterates defined by a quasi-minimal residual property. The proposed method has the same work and storage requirements per iteration as SYMMLQ or MINRES, however, it usually converges in considerably fewer iterations. Results of numerical experiments are reported.

  20. Solitons supported by complex PT-symmetric Gaussian potentials

    NASA Astrophysics Data System (ADS)

    Hu, Sumei; Ma, Xuekai; Lu, Daquan; Yang, Zhenjun; Zheng, Yizhou; Hu, Wei

    2011-10-01

    The existence and stability of fundamental, dipole, and tripole solitons in Kerr nonlinear media with parity-time-symmetric Gaussian complex potentials are reported. Fundamental solitons are stable not only in deep potentials but also in shallow potentials. Dipole and tripole solitons are stable only in deep potentials, and tripole solitons are stable in deeper potentials than for dipole solitons. The stable regions of solitons increase with increasing potential depth. The power of solitons increases with increasing propagation constant or decreasing modulation depth of the potentials.

  1. Solitons supported by complex PT-symmetric Gaussian potentials

    SciTech Connect

    Hu Sumei; Ma Xuekai; Lu Daquan; Yang Zhenjun; Zheng Yizhou; Hu Wei

    2011-10-15

    The existence and stability of fundamental, dipole, and tripole solitons in Kerr nonlinear media with parity-time-symmetric Gaussian complex potentials are reported. Fundamental solitons are stable not only in deep potentials but also in shallow potentials. Dipole and tripole solitons are stable only in deep potentials, and tripole solitons are stable in deeper potentials than for dipole solitons. The stable regions of solitons increase with increasing potential depth. The power of solitons increases with increasing propagation constant or decreasing modulation depth of the potentials.

  2. Symmetric and Asymmetric Tendencies in Stable Complex Systems

    PubMed Central

    Tan, James P. L.

    2016-01-01

    A commonly used approach to study stability in a complex system is by analyzing the Jacobian matrix at an equilibrium point of a dynamical system. The equilibrium point is stable if all eigenvalues have negative real parts. Here, by obtaining eigenvalue bounds of the Jacobian, we show that stable complex systems will favor mutualistic and competitive relationships that are asymmetrical (non-reciprocative) and trophic relationships that are symmetrical (reciprocative). Additionally, we define a measure called the interdependence diversity that quantifies how distributed the dependencies are between the dynamical variables in the system. We find that increasing interdependence diversity has a destabilizing effect on the equilibrium point, and the effect is greater for trophic relationships than for mutualistic and competitive relationships. These predictions are consistent with empirical observations in ecology. More importantly, our findings suggest stabilization algorithms that can apply very generally to a variety of complex systems. PMID:27545722

  3. Closed form evaluation of symmetric two-sided complex integrals

    NASA Technical Reports Server (NTRS)

    Winkelstein, R.

    1981-01-01

    Evaluation of two-sided complex integrals is often required when analyzing linear systems to determine signal variances resulting from stochastic inputs and system noise bandwidths. Algebraic solutions of integrals in a closed matrix equation form, using coefficients of the numerator and denominator polynomials, are presented. The closed forms provide the possibility of obtaining some insight into parameter sensitivity in addition to greatly reducing the computational complexity required by the normal method of evaluation by residues.

  4. Spherically symmetric analysis on open FLRW solution in non-linear massive gravity

    SciTech Connect

    Chiang, Chien-I; Izumi, Keisuke; Chen, Pisin E-mail: izumi@phys.ntu.edu.tw

    2012-12-01

    We study non-linear massive gravity in the spherically symmetric context. Our main motivation is to investigate the effect of helicity-0 mode which remains elusive after analysis of cosmological perturbation around an open Friedmann-Lemaitre-Robertson-Walker (FLRW) universe. The non-linear form of the effective energy-momentum tensor stemming from the mass term is derived for the spherically symmetric case. Only in the special case where the area of the two sphere is not deviated away from the FLRW universe, the effective energy momentum tensor becomes completely the same as that of cosmological constant. This opens a window for discriminating the non-linear massive gravity from general relativity (GR). Indeed, by further solving these spherically symmetric gravitational equations of motion in vacuum to the linear order, we obtain a solution which has an arbitrary time-dependent parameter. In GR, this parameter is a constant and corresponds to the mass of a star. Our result means that Birkhoff's theorem no longer holds in the non-linear massive gravity and suggests that energy can probably be emitted superluminously (with infinite speed) on the self-accelerating background by the helicity-0 mode, which could be a potential plague of this theory.

  5. Classical irregular blocks, Hill's equation and PT-symmetric periodic complex potentials

    NASA Astrophysics Data System (ADS)

    Piatek, Marcin; Pietrykowski, Artur R.

    2016-07-01

    The Schrödinger eigenvalue problems for the Whittaker-Hill potential {Q}_2(x) = 1/2{h}^2 cos 4x + 4hμ cos 2x and the periodic complex potential {Q}_1(x)=1/4{h}^2{e}^{-} 4ix} + 2{h}^2 cos 2x are studied using their realizations in two-dimensional conformal field theory (2dCFT). It is shown that for the weak coupling (small) h ∈ ℝ and non-integer Floquet parameter ν ∉ ℤ spectra of hamiltonians ℋi = - d2/d x 2 + Q i( x), i = 1, 2 and corresponding two linearly independent eigenfunctions are given by the classical limit of the "single flavor" and "two flavors" ( N f = 1 , 2) irregular conformal blocks. It is known that complex nonhermitian hamiltonians which are PT-symmetric (= invariant under simultaneous parity P and time reversal T transformations) can have real eigenvalues. The hamiltonian ℋ1 is PT-symmetric for h, x ∈ ℝ. It is found that ℋ1 has a real spectrum in the weak coupling region for ν ∈ ℝ ℤ. This fact in an elementary way follows from a definition of the N f = 1 classical irregular block. Thus, ℋ1 can serve as yet another new model for testing postulates of PT-symmetric quantum mechanics.

  6. Generation of Symmetric Dicke States of Remote Qubits with Linear Optics

    SciTech Connect

    Thiel, C.; Zanthier, J. von; Bastin, T.; Solano, E.; Agarwal, G. S.

    2007-11-09

    We propose a method for generating all symmetric Dicke states, either in the long-lived internal levels of N massive particles or in the polarization degrees of freedom of photonic qubits, using linear optical tools only. By means of a suitable multiphoton detection technique, erasing Welcher-Weg information, our proposed scheme allows the generation and measurement of an important class of entangled multiqubit states.

  7. Chaos and Chaos Synchronization of a Symmetric Gyro with Linear-Plus Damping

    NASA Astrophysics Data System (ADS)

    CHEN, H.-K.

    2002-08-01

    The dynamic behavior of a symmetric gyro with linear-plus-cubic damping, which is subjected to a harmonic excitation, is studied in this paper. The Liapunov direct method has been used to obtain the sufficient conditions of the stability of the equilibrium points of the system. By applying numerical results, time history, phase diagrams, Poincaré maps, Liapunov exponents and Liapunov dimensions are presented to observe periodic and chaotic motions. Besides, several control methods, the delayed feedback control, the addition of constant motor torque, the addition of period force, and adaptive control algorithm (ACA), have been used to control chaos effectively. Finally, attention is shifted to the synchronization of chaos in the two identical chaotic motions of symmetric gyros. The results show that one can make two identical chaotic systems to synchronize through applying four different kinds of one-way coupling. Furthermore, the synchronization time is also examined.

  8. The development of an algebraic multigrid algorithm for symmetric positive definite linear systems

    SciTech Connect

    Vanek, P.; Mandel, J.; Brezina, M.

    1996-12-31

    An algebraic multigrid algorithm for symmetric, positive definite linear systems is developed based on the concept of prolongation by smoothed aggregation. Coarse levels are generated automatically. We present a set of requirements motivated heuristically by a convergence theory. The algorithm then attempts to satisfy the requirements. Input to the method are the coefficient matrix and zero energy modes, which are determined from nodal coordinates and knowledge of the differential equation. Efficiency of the resulting algorithm is demonstrated by computational results on real world problems from solid elasticity, plate blending, and shells.

  9. Direct C-C coupling of two Ni-salphen complexes to yield dinickel-disalphen complexes with symmetric and non-symmetric substitution-patterns.

    PubMed

    Bugenhagen, B E C; Prosenc, M H

    2016-04-25

    The synthesis of symmetric and non-symmetric 5,5'-linked disalophen Ni(ii) complexes by the Suzuki-Miyaura-reaction is reported. Also, the synthesis and structural characterization of four Ni(ii)-precursor complexes are presented. The 5-Br-substituted mononuclear complexes and are coupled to the pinacolborane substituted complexes and yielding the four dinuclear dinickel complexes in good yields. The crystal structure of dinuclear complex was obtained revealing a coplanar arrangement between the two salophen fragments. Electronic spectra as well as DFT-calculations on the ground states and excitation energies are reported and they reveal a small coupling between the electronically saturated Ni-salophen complexes. PMID:27040080

  10. Observation of Bloch oscillations in complex PT-symmetric photonic lattices

    NASA Astrophysics Data System (ADS)

    Wimmer, Martin; Miri, Mohammed-Ali; Christodoulides, Demetrios; Peschel, Ulf

    2015-12-01

    Light propagation in periodic environments is often associated with a number of interesting and potentially useful processes. If a crystalline optical potential is also linearly ramped, light can undergo periodic Bloch oscillations, a direct outcome of localized Wannier-Stark states and their equidistant eigenvalue spectrum. Even though these effects have been extensively explored in conservative settings, this is by no means the case in non-Hermitian photonic lattices encompassing both amplification and attenuation. Quite recently, Bloch oscillations have been predicted in parity-time-symmetric structures involving gain and loss in a balanced fashion. While in a complex bulk medium, one intuitively expects that light will typically follow the path of highest amplification, in a periodic system this behavior can be substantially altered by the underlying band structure. Here, we report the first experimental observation of Bloch oscillations in parity-time-symmetric mesh lattices. We show that these revivals exhibit unusual properties like secondary emissions and resonant restoration of PT symmetry. In addition, we present a versatile method for reconstructing the real and imaginary components of the band structure by directly monitoring the light evolution during a cycle of these oscillations.

  11. Observation of Bloch oscillations in complex PT-symmetric photonic lattices

    PubMed Central

    Wimmer, Martin; Miri, Mohammed-Ali; Christodoulides, Demetrios; Peschel, Ulf

    2015-01-01

    Light propagation in periodic environments is often associated with a number of interesting and potentially useful processes. If a crystalline optical potential is also linearly ramped, light can undergo periodic Bloch oscillations, a direct outcome of localized Wannier-Stark states and their equidistant eigenvalue spectrum. Even though these effects have been extensively explored in conservative settings, this is by no means the case in non-Hermitian photonic lattices encompassing both amplification and attenuation. Quite recently, Bloch oscillations have been predicted in parity-time-symmetric structures involving gain and loss in a balanced fashion. While in a complex bulk medium, one intuitively expects that light will typically follow the path of highest amplification, in a periodic system this behavior can be substantially altered by the underlying band structure. Here, we report the first experimental observation of Bloch oscillations in parity-time-symmetric mesh lattices. We show that these revivals exhibit unusual properties like secondary emissions and resonant restoration of PT symmetry. In addition, we present a versatile method for reconstructing the real and imaginary components of the band structure by directly monitoring the light evolution during a cycle of these oscillations. PMID:26639941

  12. Buckling Behavior of Long Symmetrically Laminated Plates Subjected to Shear and Linearly Varying Axial Edge Loads

    NASA Technical Reports Server (NTRS)

    Nemeth, Michael P.

    1997-01-01

    A parametric study of the buckling behavior of infinitely long symmetrically laminated anisotropic plates that are subjected to linearly varying edge loads, uniform shear loads, or combinations of these loads is presented. The study focuses on the effects of the shape of linearly varying edge load distribution, plate orthotropy, and plate flexural anisotropy on plate buckling behavior. In addition, the study exmines the interaction of linearly varying edge loads and uniform shear loads with plate flexural anisotropy and orthotropy. Results obtained by using a special purpose nondimensional analysis that is well suited for parametric studies of clamped and simply supported plates are presented for [+/- theta](sub s), thin graphite-epoxy laminates that are representative of spacecraft structural components. Also, numerous generic buckling-design charts are presented for a wide range of nondimensional parameters that are applicable to a broad class of laminate constructions. These charts show explicitly the effects of flexural orthotropy and flexural anisotropy on plate buckling behavior for linearly varying edge loads, uniform shear loads, or combinations of these loads. The most important finding of the present study is that specially orthotropic and flexurally anisotropic plates that are subjected to an axial edge load distribution that is tension dominated can support shear loads that are larger in magnitude than the shear buckling load.

  13. A Godunov-type method in Lagrangian coordinates for computing linearly-perturbed planar-symmetric flows of gas dynamics

    NASA Astrophysics Data System (ADS)

    Clarisse, Jean-Marie; Jaouen, Stéphane; Raviart, Pierre-Arnaud

    2004-07-01

    Linear stability studies of complex flows require that efficient numerical methods be devised for predicting growth rates of multi-dimensional perturbations. For one-dimensional (1D) basic flows - i.e. of planar, cylindrical or spherical symmetry - a general numerical approach is viable which consists in solving simultaneously the one-dimensional equations of gas dynamics and their linearized forms for three-dimensional perturbations. Extensions of artificial viscosity methods have thus been used in the past. More recently [Equations aux dérivées partielles et applications, articles dédiés à J.-L. Lions, 1998], Godunov-type schemes for single-fluid flows of gas dynamics and magnetohydrodynamics have been proposed. Pursuing this effort, we introduce, within the Lagrangian perturbation approach, a class of Godunov-type schemes which is well suited for solving multi-material problems of gas dynamics. These schemes are developed here for the planar-symmetric case and comprise two second-order extensions. The numerical capabilities of these methods are illustrated by computations of Richtmyer-Meshkov instabilities occurring at a single material interface. A systematic comparison of numerically computed growth rates with results of the linear theory for the Richtmyer-Meshkov instability is provided.

  14. Geometrically Non-Linear Free Vibration of Fully Clamped Symmetrically Laminated Rectangular Composite Plates

    NASA Astrophysics Data System (ADS)

    HARRAS, B.; BENAMAR, R.; WHITE, R. G.

    2002-04-01

    The geometrically non-linear free vibration of thin composite laminated plates is investigated by using a theoretical model based on Hamilton's principle and spectral analysis previously applied to obtain the non-linear mode shapes and resonance frequencies of thin straight structures, such as beams, plates and shells (Benamar et al. 1991Journal of Sound and Vibration149 , 179-195; 1993, 164, 295-316; 1990 Proceedings of the Fourth International Conference on Recent Advances in Structural Dynamics, Southampton; Moussaoui et al. 2000 Journal of Sound and Vibration232, 917-943 [1-4]). The von Kármán non-linear strain-displacement relationships have been employed. In the formulation, the transverse displacement W of the plate mid-plane has been taken into account and the in-plane displacements U and V have been neglected in the non-linear strain energy expressions. This assumption, quite often made in the literature has been adopted in reference [2] and (El Kadiri et al. 1999 Journal of Sound and Vibration228, 333-358 [5]), in the isotropic case and has been mentioned here because the results obtained have been found to be in very good agreement with those based on the hierarchical finite element method (HFEM). In a previous study, it was assumed, based on the analogy with the isotropic case, that the fundamental carbon fibre reinforced plastic (CFRP) plate non-linear mode shape could be well estimated, by using nine plate functions, obtained as products of clamped-clamped beam functions in the x and y directions, symmetric in both the length U001and width directions [3]. In the present work, a convergence study has been performed and has shown that, although such an assumption may yield a good estimate for the non-linear resonance frequency, 18 plate functions should be taken into account instead of nine in the first non-linear mode shape and associated bending stress patterns calculations. This allows the anisotropy induced by the fibre orientations to be taken

  15. High-pulse-energy, linear optical parametric oscillator with narrow and symmetrical far field.

    PubMed

    Farsund, Øystein; Rustad, Gunnar

    2013-08-26

    A new method to obtain a narrow and symmetrical far field from a high-pulse-energy optical parametric oscillator (OPO) with a linear resonator has been tested. The OPO employs two identical nonlinear crystals that are cut for type II phase matching, rotated such that their walk-off planes are orthogonal, and separated by a broadband half-wave plate. The OPO has a simple geometry, can be double-pass pumped, is wavelength tunable and operates stably with high conversion efficiency. The method has been demonstrated in a KTP-based OPO pumped at 1064 nm and a BBO-based OPO pumped at 532 nm, with output pulse energies up to 60 mJ and 75 mJ, respectively. PMID:24105562

  16. On the computational complexity of binary and analog symmetric hopfield nets

    PubMed

    Sima; Orponen; Antti-Poika

    2000-12-01

    We investigate the computational properties of finite binary- and analog-state discrete-time symmetric Hopfield nets. For binary networks, we obtain a simulation of convergent asymmetric networks by symmetric networks with only a linear increase in network size and computation time. Then we analyze the convergence time of Hopfield nets in terms of the length of their bit representations. Here we construct an analog symmetric network whose convergence time exceeds the convergence time of any binary Hopfield net with the same representation length. Further, we prove that the MIN ENERGY problem for analog Hopfield nets is NP-hard and provide a polynomial time approximation algorithm for this problem in the case of binary nets. Finally, we show that symmetric analog nets with an external clock are computationally Turing universal. PMID:11112262

  17. Trellis Decoding Complexity of Linear Block Codes

    NASA Technical Reports Server (NTRS)

    Kiely, A. B.; McEliece, R. J.; Lin, W.; Ekroot, L.; Dolinar, S.

    1995-01-01

    We consider the problem of finding a trellis for a linear block code that minimizes one or more measures of trellis complexity. The domain of optimization may be different permutations of the same code, or different codes with the same parameters. Constraints on trellises, including relationships between the minimal trellis of a code and that of the dual code, are used to derive bounds on complexity. We define a partial ordering on trellises: if a trellis is optimum with respect to this partial ordering, it has the desirable property that it simultaneously minimizes all of the complexity measures examined. We examine properties of such optimal trellises and give examples of optimal permutations of codes, most notably the (48,24,12) quadratic residue code.

  18. Crystal structure of the human mitochondrial chaperonin symmetrical football complex.

    PubMed

    Nisemblat, Shahar; Yaniv, Oren; Parnas, Avital; Frolow, Felix; Azem, Abdussalam

    2015-05-12

    Human mitochondria harbor a single type I chaperonin system that is generally thought to function via a unique single-ring intermediate. To date, no crystal structure has been published for any mammalian type I chaperonin complex. In this study, we describe the crystal structure of a football-shaped, double-ring human mitochondrial chaperonin complex at 3.15 Å, which is a novel intermediate, likely representing the complex in an early stage of dissociation. Interestingly, the mitochondrial chaperonin was captured in a state that exhibits subunit asymmetry within the rings and nucleotide symmetry between the rings. Moreover, the chaperonin tetradecamers show a different interring subunit arrangement when compared to GroEL. Our findings suggest that the mitochondrial chaperonins use a mechanism that is distinct from the mechanism of the well-studied Escherichia coli system. PMID:25918392

  19. Crystal structure of the human mitochondrial chaperonin symmetrical football complex

    PubMed Central

    Nisemblat, Shahar; Yaniv, Oren; Parnas, Avital; Frolow, Felix; Azem, Abdussalam

    2015-01-01

    Human mitochondria harbor a single type I chaperonin system that is generally thought to function via a unique single-ring intermediate. To date, no crystal structure has been published for any mammalian type I chaperonin complex. In this study, we describe the crystal structure of a football-shaped, double-ring human mitochondrial chaperonin complex at 3.15 Å, which is a novel intermediate, likely representing the complex in an early stage of dissociation. Interestingly, the mitochondrial chaperonin was captured in a state that exhibits subunit asymmetry within the rings and nucleotide symmetry between the rings. Moreover, the chaperonin tetradecamers show a different interring subunit arrangement when compared to GroEL. Our findings suggest that the mitochondrial chaperonins use a mechanism that is distinct from the mechanism of the well-studied Escherichia coli system. PMID:25918392

  20. Spatial turning bands simulation of anisotropic non-linear models of coregionalization with symmetric cross-covariances

    NASA Astrophysics Data System (ADS)

    Marcotte, D.

    2016-04-01

    The turning bands method (TBM) is a commonly used method of simulation for large Gaussian fields, its O(N) complexity being unsurpassed (N denotes the number of points to simulate). TBM can be implemented either in the spatial or the spectral domains. In the multivariate anisotropic case, spatial versions of TBM are currently available only for the linear model of coregionalization (LMC). For anisotropic non-LMC with symmetrical covariances only the spectral version is currently available. The spectral domain approach can be slow in the case of non-differentiable covariances due to the numerous frequencies to sample. Here a derivation of the equations is provided for simulating the anisotropic non-LMC directly in the spatial domain and the method is illustrated with two synthetic examples. The approach allows the specification of many different direct and cross-covariance components, each with possibly different geometric anisotropies and different model types. The complexity of the new multivariate approach remains O(N). Hence, a case of two variables defining an anisotropic non-LMC is simulated over one billion points in less than one hour on a desktop computer. These results help enlarge the scope of application of the TBM. The method can be easily implemented in any existing TBM program.

  1. Bayesian linear regression with skew-symmetric error distributions with applications to survival analysis.

    PubMed

    Rubio, Francisco J; Genton, Marc G

    2016-06-30

    We study Bayesian linear regression models with skew-symmetric scale mixtures of normal error distributions. These kinds of models can be used to capture departures from the usual assumption of normality of the errors in terms of heavy tails and asymmetry. We propose a general noninformative prior structure for these regression models and show that the corresponding posterior distribution is proper under mild conditions. We extend these propriety results to cases where the response variables are censored. The latter scenario is of interest in the context of accelerated failure time models, which are relevant in survival analysis. We present a simulation study that demonstrates good frequentist properties of the posterior credible intervals associated with the proposed priors. This study also sheds some light on the trade-off between increased model flexibility and the risk of over-fitting. We illustrate the performance of the proposed models with real data. Although we focus on models with univariate response variables, we also present some extensions to the multivariate case in the Supporting Information. Copyright © 2016 John Wiley & Sons, Ltd. PMID:26856806

  2. Linear stability of spherically symmetric and wormhole solutions supported by the sine-Gordon ghost scalar field

    SciTech Connect

    Dzhunushaliev, Vladimir; Folomeev, Vladimir; Singleton, Douglas; Myrzakulov, Ratbay

    2010-08-15

    In this paper we investigate wormhole and spherically symmetric solutions in four-dimensional gravity plus a matter source consisting of a ghost scalar field with a sine-Gordon potential. For the wormhole solutions we also include the possibility of electric and/or magnetic charges. For both types of solutions we perform a linear stability analysis and show that the wormhole solutions are stable and that when one turns on the electric and/or magnetic field the solution remains stable. The linear stability analysis of the spherically symmetric solutions indicates that they can be stable or unstable depending on one of the parameters of the system. This result for the spherically symmetric solution is nontrivial since a previous investigation of four-dimensional gravity plus a ghost scalar field with a {lambda}{phi}{sup 4} interaction found only unstable spherically symmetric solutions. Both the wormhole and spherically symmetric solutions presented here asymptotically go to anti-de Sitter space-time.

  3. Parametric symmetries in exactly solvable real and PT symmetric complex potentials

    NASA Astrophysics Data System (ADS)

    Yadav, Rajesh Kumar; Khare, Avinash; Bagchi, Bijan; Kumari, Nisha; Mandal, Bhabani Prasad

    2016-06-01

    In this paper, we discuss the parametric symmetries in different exactly solvable systems characterized by real or complex PT symmetric potentials. We focus our attention on the conventional potentials such as the generalized Pöschl Teller (GPT), Scarf-I, and PT symmetric Scarf-II which are invariant under certain parametric transformations. The resulting set of potentials is shown to yield a completely different behavior of the bound state solutions. Further, the supersymmetric partner potentials acquire different forms under such parametric transformations leading to new sets of exactly solvable real and PT symmetric complex potentials. These potentials are also observed to be shape invariant (SI) in nature. We subsequently take up a study of the newly discovered rationally extended SI potentials, corresponding to the above mentioned conventional potentials, whose bound state solutions are associated with the exceptional orthogonal polynomials (EOPs). We discuss the transformations of the corresponding Casimir operator employing the properties of the so(2, 1) algebra.

  4. Symmetrical modified dual tree complex wavelet transform for processing quadrature Doppler ultrasound signals.

    PubMed

    Serbes, G; Aydin, N

    2011-01-01

    Dual-tree complex wavelet transform (DTCWT), which is a shift invariant transform with limited redundancy, is an improved version of discrete wavelet transform. Complex quadrature signals are dual channel signals obtained from the systems employing quadrature demodulation. An example of such signals is quadrature Doppler signal obtained from blood flow analysis systems. Prior to processing Doppler signals using the DTCWT, directional flow signals must be obtained and then two separate DTCWT applied, increasing the computational complexity. In this study, in order to decrease computational complexity, a symmetrical modified DTCWT algorithm is proposed (SMDTCWT). A comparison between the new transform and the symmetrical phasing-filter technique is presented. Additionally denoising performance of SMDTCWT is compared with the DWT and the DTCWT using simulated signals. The results show that the proposed method gives the same output as the symmetrical phasing-filter method, the computational complexity for processing quadrature signals using DTCWT is greatly reduced and finally the SMDTCWT based denoising outperforms conventional DWT with same computational complexity. PMID:22255416

  5. Preconditioning the bidomain model with almost linear complexity

    NASA Astrophysics Data System (ADS)

    Pierre, Charles

    2012-01-01

    The bidomain model is widely used in electro-cardiology to simulate spreading of excitation in the myocardium and electrocardiograms. It consists of a system of two parabolic reaction diffusion equations coupled with an ODE system. Its discretisation displays an ill-conditioned system matrix to be inverted at each time step: simulations based on the bidomain model therefore are associated with high computational costs. In this paper we propose a preconditioning for the bidomain model either for an isolated heart or in an extended framework including a coupling with the surrounding tissues (the torso). The preconditioning is based on a formulation of the discrete problem that is shown to be symmetric positive semi-definite. A block LU decomposition of the system together with a heuristic approximation (referred to as the monodomain approximation) are the key ingredients for the preconditioning definition. Numerical results are provided for two test cases: a 2D test case on a realistic slice of the thorax based on a segmented heart medical image geometry, a 3D test case involving a small cubic slab of tissue with orthotropic anisotropy. The analysis of the resulting computational cost (both in terms of CPU time and of iteration number) shows an almost linear complexity with the problem size, i.e. of type nlog α( n) (for some constant α) which is optimal complexity for such problems.

  6. Synthesis, Absorption, and Electrochemical Properties of Quinoid-Type Bisboron Complexes with Highly Symmetrical Structures.

    PubMed

    Kubota, Yasuhiro; Niwa, Takahiro; Jin, Jiye; Funabiki, Kazumasa; Matsui, Masaki

    2015-06-19

    Novel bisboron complexes of bidentate ligands consisting of 1,4-benzoquinone and two pyrrole rings were synthesized by using a simple two-step reaction. In solution, the bisboron complexes showed absorption maxima at ∼620 and 800 nm, which were attributed to the allowed S0 → S2 and forbidden S0 → S1 transitions, respectively. The bisboron complexes did not show any fluorescence, probably because of their highly symmetrical structure which forbids the S0 → S1 transition. Bisboron complexes underwent a two-electron reduction to yield the corresponding aromatic dianion, which showed absorption maxima at ∼410 nm. PMID:26067338

  7. A Family of Symmetric Linear Multistep Methods for the Numerical Solution of the Schroedinger Equation and Related Problems

    SciTech Connect

    Anastassi, Z. A.; Simos, T. E.

    2010-09-30

    We develop a new family of explicit symmetric linear multistep methods for the efficient numerical solution of the Schroedinger equation and related problems with oscillatory solution. The new methods are trigonometrically fitted and have improved intervals of periodicity as compared to the corresponding classical method with constant coefficients and other methods from the literature. We also apply the methods along with other known methods to real periodic problems, in order to measure their efficiency.

  8. Symmetrized complex amplitudes for He double photoionization from the time-dependent close coupling and exterior complex scaling methods

    SciTech Connect

    Horner, D.A.; Colgan, J.; Martin, F.; McCurdy, C.W.; Pindzola, M.S.; Rescigno, T.N.

    2004-06-01

    Symmetrized complex amplitudes for the double photoionization of helium are computed by the time-dependent close-coupling and exterior complex scaling methods, and it is demonstrated that both methods are capable of the direct calculation of these amplitudes. The results are found to be in excellent agreement with each other and in very good agreement with results of other ab initio methods and experiment.

  9. Novel supramolecular assembly of symmetrical mixed-metal-ligand complexes of dioxouranium(VI).

    PubMed

    Mubarak, Ahmed T

    2006-12-01

    Some binary and ternary novel complexes of dioxouranium(VI) with 8-hydroxy-7-quinolinecarboxaldehyde (OXH) have been prepared and characterized by elemental analyses, magnetic susceptibility measurements and spectral studies. Coordination effects on the vibrational spectra of the ligands have been investigated. The amine exchange reactions of coordinated Schiff bases in these complexes have been also studied, which reveal symmetrical tetradentate Schiff base complexes. Metal exchange reaction of dioxouranium(VI) complexes was obtained when reacted with tetradentate Schiff base complexes of Cu(II) with ZrCl(4)/UO(2)(CH(3)COO)(2) giving heterobinuclear complexes. Magnetic, electronic and IR spectral data suggest the configurations of distorted square planar ligand field copper(II) complexes. The ligands behave as bi-(O,O) and tetradentate (N(2),O(2)) donors. El-Sonbati equation has been used to evaluate the symmetric stretching frequency from which the F(U-O) and F(UO,UO)(-) were calculated. The bond distances of these complexes were also investigated. PMID:16843709

  10. Transparency of the complex PT-symmetric potentials for coherent injection

    NASA Astrophysics Data System (ADS)

    Ahmed, Zafar; Nathan, Joseph Amal; Ghosh, Dona

    2016-02-01

    Two port s-matrix for a complex PT-symmetric potential may have uni-modular eigenvalues. If this happens for all energies, there occurs a perfect emission of waves at both ends. We call this phenomenon transparency which is distinctly different from coherent perfect absorption with or without lasing. Using the versatile PT-symmetric complex Scarf II (scattering) potential, we demonstrate analytically that the transparency can occur regardless of whether PT-symmetry is unbroken or broken or if there are only scattering states. In these three cases, for a given value of the strength of the real part, the strength of the imaginary part |V2 | of the potential lies in (0 ,Vα) , (Vα ,Vβ) and (0 ,Vβ) respectively. Several other numerically solved potentials also support our findings.

  11. Grain Rotation in Ion-Complexed Symmetric Diblock Copolymer Thin Films under an Electric Field

    SciTech Connect

    Wang,J.; Leiston-Belanger, J.; Sievert, J.; Russell, T.

    2006-01-01

    In symmetric polystyrene-block-poly(methyl methacrylate) (PS-b-PMMA) diblock copolymer thin films, lithium-PMMA complexes were formed with the addition of lithium chloride (LiCl), significantly increasing both {chi} and dielectric constant. These led to a transition in the kinetic pathway of the orientation of lamellar microdomains under an applied electric field from a disruption and re-formation of the microdomains to a grain rotation mediated by movement of defects. By controlling the number of lithium-PMMA complexes, the microdomain alignment is possibly regulated in PS-b-PMMA copolymer thin films.

  12. Single-molecule observation of protein folding in symmetric GroEL-(GroES)2 complexes.

    PubMed

    Takei, Yodai; Iizuka, Ryo; Ueno, Taro; Funatsu, Takashi

    2012-11-30

    The chaperonin, GroEL, is an essential molecular chaperone that mediates protein folding together with its cofactor, GroES, in Escherichia coli. It is widely believed that the two rings of GroEL alternate between the folding active state coupled to GroES binding during the reaction cycle. In other words, an asymmetric GroEL-GroES complex (the bullet-shaped complex) is formed throughout the cycle, whereas a symmetric GroEL-(GroES)(2) complex (the football-shaped complex) is not formed. We have recently shown that the football-shaped complex coexists with the bullet-shaped complex during the reaction cycle. However, how protein folding proceeds in the football-shaped complex remains poorly understood. Here, we used GFP as a substrate to visualize protein folding in the football-shaped complex by single-molecule fluorescence techniques. We directly showed that GFP folding occurs in both rings of the football-shaped complex. Remarkably, the folding was a sequential two-step reaction, and the kinetics were in excellent agreement with those in the bullet-shaped complex. These results demonstrate that the same reactions take place independently in both rings of the football-shaped complex to facilitate protein folding. PMID:23048033

  13. Single-molecule Observation of Protein Folding in Symmetric GroEL-(GroES)2 Complexes*

    PubMed Central

    Takei, Yodai; Iizuka, Ryo; Ueno, Taro; Funatsu, Takashi

    2012-01-01

    The chaperonin, GroEL, is an essential molecular chaperone that mediates protein folding together with its cofactor, GroES, in Escherichia coli. It is widely believed that the two rings of GroEL alternate between the folding active state coupled to GroES binding during the reaction cycle. In other words, an asymmetric GroEL-GroES complex (the bullet-shaped complex) is formed throughout the cycle, whereas a symmetric GroEL-(GroES)2 complex (the football-shaped complex) is not formed. We have recently shown that the football-shaped complex coexists with the bullet-shaped complex during the reaction cycle. However, how protein folding proceeds in the football-shaped complex remains poorly understood. Here, we used GFP as a substrate to visualize protein folding in the football-shaped complex by single-molecule fluorescence techniques. We directly showed that GFP folding occurs in both rings of the football-shaped complex. Remarkably, the folding was a sequential two-step reaction, and the kinetics were in excellent agreement with those in the bullet-shaped complex. These results demonstrate that the same reactions take place independently in both rings of the football-shaped complex to facilitate protein folding. PMID:23048033

  14. Slice-selective J-coupled coherence transfer using symmetric linear phase pulses: applications to localized GABA spectroscopy

    NASA Astrophysics Data System (ADS)

    Shen, Jun

    2003-07-01

    Symmetric, linear phase, slice-selective RF pulses were analyzed theoretically for performing slice-selective coherence transfer. It was shown using numerical simulations of product operators that, when a prefocusing gradient of the same area as that of the refocusing gradient is added, these pulses become slice-selective universal rotator pulses, therefore, capable of performing slice-selective coherence transfer. As an example, a slice-selective universal rotator pulse based on a seven-lobe hamming-filtered sinc pulse was applied to in vivo single-shot simultaneous spectral editing and spatial localization of neurotransmitter GABA in the human brain.

  15. A Symmetrical Tetramer for S. aureus Pyruvate Carboxylase in Complex with Coenzyme A

    SciTech Connect

    Yu, L.; Xiang, S; Lasso, G; Gil, D; Valle, M; Tong, L

    2009-01-01

    Pyruvate carboxylase (PC) is a conserved metabolic enzyme with important cellular functions. We report crystallographic and cryo-electron microscopy (EM) studies of Staphylococcus aureus PC (SaPC) in complex with acetyl-CoA, an allosteric activator, and mutagenesis, biochemical, and structural studies of the biotin binding site of its carboxyltransferase (CT) domain. The disease-causing A610T mutation abolishes catalytic activity by blocking biotin binding to the CT active site, and Thr908 might play a catalytic role in the CT reaction. The crystal structure of SaPC in complex with CoA reveals a symmetrical tetramer, with one CoA molecule bound to each monomer, and cryo-EM studies confirm the symmetrical nature of the tetramer. These observations are in sharp contrast to the highly asymmetrical tetramer of Rhizobium etli PC in complex with ethyl-CoA. Our structural information suggests that acetyl-CoA promotes a conformation for the dimer of the biotin carboxylase domain of PC that might be catalytically more competent.

  16. Highly symmetric patchy multicompartment nanoparticles from the self-assembly of ABC linear terpolymers in C-selective solvents.

    PubMed

    Kong, Weixin; Jiang, Wei; Zhu, Yutian; Li, Baohui

    2012-08-14

    Multicompartment micelles, especially those with highly symmetric surfaces such as patchy-like, patchy, and Janus micelles, have tremendous potential as building blocks of hierarchical multifunctional nanomaterials. One of the most versatile and powerful methods to obtain patchy multicompartment micelles is by the solution-state self-assembly of linear triblock copolymers. In this article, we applied the simulated annealing method to study the self-assembly of ABC linear terpolymers in C-selective solvents. Simulations predict a variety of patchy and patchy-like multicompartment micelles with high symmetry and also yield a detailed phase diagram to reveal how to control the patchy multicompartment micelle morphologies precisely. The phase diagram demonstrates that the internal segregated micellar structure depends on the ratio between the volume fractions of the two solvophobic blocks and their incompatibility, whereas the overall micellar shape depends on the copolymer concentration. The relationship between the interfacial energy, stretching energy of chains and the micellar morphology, micellar morphological transition are elucidated by computing the average contact number among the species, the mean square end-to-end distances of the whole terpolymers, the AB blocks in the terpolymers, the AB diblock copolymers, and angle distribution of terpolymers. The anchoring effect of the solvophilic C block on micellar structures is also examined by comparing the morphologies formed from ABC terpolymers and AB diblock copolymers. PMID:22804956

  17. Out-of-Core Solutions of Complex Sparse Linear Equations

    NASA Technical Reports Server (NTRS)

    Yip, E. L.

    1982-01-01

    ETCLIB is library of subroutines for obtaining out-of-core solutions of complex sparse linear equations. Routines apply to dense and sparse matrices too large to be stored in core. Useful for solving any set of linear equations, but particularly useful in cases where coefficient matrix has no special properties that guarantee convergence with any of interative processes. The only assumption made is that coefficient matrix is not singular.

  18. Influence of composition fluctuations on the linear viscoelastic properties of symmetric diblock copolymers near the order-disorder transition

    SciTech Connect

    Hickey, Robert J.; Gillard, Timothy M.; Lodge, Timothy P.; Bates, Frank S.

    2015-08-28

    Rheological evidence of composition fluctuations in disordered diblock copolymers near the order disorder transition (ODT) has been documented in the literature over the past three decades, characterized by a failure of time–temperature superposition (tTS) to reduce linear dynamic mechanical spectroscopy (DMS) data in the terminal viscoelastic regime to a temperature-independent form. However, for some materials, most notably poly(styrene-b-isoprene) (PS–PI), no signature of these rheological features has been found. We present small-angle X-ray scattering (SAXS) results on symmetric poly(cyclohexylethylene-b-ethylene) (PCHE–PE) diblock copolymers that confirm the presence of fluctuations in the disordered state and DMS measurements that also show no sign of the features ascribed to composition fluctuations. Assessment of DMS results published on five different diblock copolymer systems leads us to conclude that the effects of composition fluctuations can be masked by highly asymmetric block dynamics, thereby resolving a long-standing disagreement in the literature and reinforcing the importance of mechanical contrast in understanding the dynamics of ordered and disordered block polymers.

  19. A study on the interaction between two rumors in homogeneous complex networks under symmetric conditions

    NASA Astrophysics Data System (ADS)

    Jie, Renlong; Qiao, Jian; Xu, Genjiu; Meng, Yingying

    2016-07-01

    The propagating dynamics of more than one rumor has received a substantial amount of attention in recent years. To investigate the effects of interactions between two rumors under symmetric conditions, we built a model based on an ordinary differential equation system while assuming that each individual's spreading rate after receiving one rumor depends on whether he/she knows the other rumor. In certain cases, two rumors accelerate the spread of each other, while in a portion of the other cases they impede or decelerate the spread of each other. We discuss these effects by dividing the total population into nine groups that correspond to nine states, and we subsequently build the mean-field equations for the two-rumor interaction based on the SIR model in a homogeneous complex network, and we find their numerical solution with varying interaction factors for the rates of spreading and becoming disinterested. The results show that when we change these interaction factors, the density curves of the nine states and their maximum values will change accordingly by a series of rules, which demonstrates the corresponding effects when there is a positive or negative interaction between the two rumors. Our work could establish a foundation for further study of this issue.

  20. Simulation of complexes between linear polyelectrolyte and charged dendrimer

    NASA Astrophysics Data System (ADS)

    Pandav, Gunja; Ganesan, Venkat

    2014-03-01

    Complexes formed by electrostatic interactions between dendrimer having cationic terminal groups and anionic linear polyelectrolyte are studied using hybrid Monte Carlo simulations. The excluded volume interactions are modeled using a self-consistent field and the electrostatic interactions are computed by solving Poisson equation. Such framework facilitates simulating large scale three-dimensional systems. We primarily focus on the effect of dendrimer generation number, stiffness of polyelectrolyte chain and systematically study its effect on change in shape and size of complexes. Our results suggest that the dendrimer structure and charge distribution has a significant impact on the complex formation.

  1. Synchronization of fractional-order linear complex networks.

    PubMed

    Wang, Junwei; Zeng, Caibin

    2015-03-01

    In this paper, we concentrate on the synchronization problem of fractional-order complex networks with general linear dynamics under connected topology. By introducing a pseudo-state transformation, the problem is converted into an equivalent simultaneous stabilization problem of independent subsystems, which is characterized by nonzero eigenvalues of the Laplacian matrix. Then, sufficient conditions in terms of linear matrix inequalities (LMIs) for synchronization are established, which can be easily solved by efficient convex optimization algorithms. Finally, three examples are provided to illustrate the effectiveness of the proposed method. PMID:25467542

  2. Proton NMR study of a complex between the lac repressor headpiece and a 22 base pair symmetric lac operator

    SciTech Connect

    Lamerichs, R.M.J.N.; Boelens, R.; van der Marel, G.A.; van Boom, J.H.; Kaptein, R.; Buck, F.; Fera, B.; Rueterjans, H. )

    1989-04-04

    A complex between the lac repressor headpiece and a fully symmetric tight-binding 22 bp lac operator was studied by 2D NMR. Several 2D NOE spectra were recorded for the complex in both H{sub 2}O and {sup 2}H{sub 2}O. Many NOE cross-peaks between the headpiece and DNA could be identified, and changes in the chemical shift of the DNA protons upon complex formation were analyzed. Comparison of these data with those obtained for a complex between the headpiece and a 14 bp half-operator, studied previously, shows that two headpieces form a specific complex with the 22 bp lac operator in which each headpiece binds in the same way as found for the 14 bp complex. The orientation of the recognition helix in the major groove of DNA in these complexes is opposite with respect to the dyad axis to that found for other repressors.

  3. Multikernel linear mixed models for complex phenotype prediction.

    PubMed

    Weissbrod, Omer; Geiger, Dan; Rosset, Saharon

    2016-07-01

    Linear mixed models (LMMs) and their extensions have recently become the method of choice in phenotype prediction for complex traits. However, LMM use to date has typically been limited by assuming simple genetic architectures. Here, we present multikernel linear mixed model (MKLMM), a predictive modeling framework that extends the standard LMM using multiple-kernel machine learning approaches. MKLMM can model genetic interactions and is particularly suitable for modeling complex local interactions between nearby variants. We additionally present MKLMM-Adapt, which automatically infers interaction types across multiple genomic regions. In an analysis of eight case-control data sets from the Wellcome Trust Case Control Consortium and more than a hundred mouse phenotypes, MKLMM-Adapt consistently outperforms competing methods in phenotype prediction. MKLMM is as computationally efficient as standard LMMs and does not require storage of genotypes, thus achieving state-of-the-art predictive power without compromising computational feasibility or genomic privacy. PMID:27302636

  4. Cole-Cole Plots for Linear and Nonlinear Dielectric Relaxation in Solutions of Rigid, Highly Dipolar, Symmetric-Top Molecules in Spherical Solvents

    NASA Astrophysics Data System (ADS)

    Alexiewicz, W.; Grygiel, K.

    2008-10-01

    The graphical analysis of the influence of the rotational diffusion tensor anisotropy and the orientation of the permanent dipole moment on the linear and nonlinear dielectric relaxation is shown. The solution of Smoluchowski-Debye rotational diffusion equation for rigid, and noninteracting polar, symmetric-top molecules, in the "weak molecular reorientation approximation", was used. In order to highlight the influence of the symmetric shape of molecule, in comparison with classical, spherical-top Smoluchowski rotational diffusion, we present sets of Argand-type plots and three-dimensional Cole-Cole diagrams for linear and nonlinear electric susceptibilities. The results indicate that, in describing the nonlinear dielectric relaxation, the simplest spherical-top rotational diffusion model may be a sufficient approximation in some special cases only.

  5. Parity-time-symmetric solitons in trapped Bose-Einstein condensates and the influence of varying complex potentials: A variational approach.

    PubMed

    Devassy, Lini; Jisha, Chandroth P; Alberucci, Alessandro; Kuriakose, V C

    2015-08-01

    Dynamics and properties of nonlinear matter waves in a trapped BEC subject to a PT-symmetric linear potential, with the trap in the form of a super-Gaussian potential, are investigated via a variational approach accounting for the complex nature of the soliton. In the process, we address how the shape of the imaginary part of the potential, that is, a gain-loss mechanism, affects the self-localization and the stability of the condensate. Variational results are found to be in good agreement with full numerical simulations for predicting the shape, width, and chemical potential of the condensate until the PT breaking point. Variational computation also predicts the existence of solitary solution only above a threshold in the particle number as the gain-loss is increased, in agreement with numerical simulations. PMID:26382483

  6. Complex linear effective theory and supersymmetry breaking vacua

    NASA Astrophysics Data System (ADS)

    Farakos, Fotis; von Unge, Rikard

    2015-02-01

    We calculate the low-energy effective action of massless and massive complex linear superfields coupled to a massive U(1) vector multiplet. Our calculations include superspace higher-derivative corrections and therefore go beyond previous results. Among the superspace higher derivatives, we find that terms that lead to a deformation of the auxiliary field potential and may break supersymmetry are also generated. We show that the supersymmetry breaking vacua can only be trusted if there exists a hierarchy between the higher-order terms. A renormalization group analysis shows that generically a hierarchy is not generated by the quantum corrections.

  7. Evaluation of out-of-core computer programs for the solution of symmetric banded linear equations. [simultaneous equations

    NASA Technical Reports Server (NTRS)

    Dunham, R. S.

    1976-01-01

    FORTRAN coded out-of-core equation solvers that solve using direct methods symmetric banded systems of simultaneous algebraic equations. Banded, frontal and column (skyline) solvers were studied as well as solvers that can partition the working area and thus could fit into any available core. Comparison timings are presented for several typical two dimensional and three dimensional continuum type grids of elements with and without midside nodes. Extensive conclusions are also given.

  8. On complexity of trellis structure of linear block codes

    NASA Technical Reports Server (NTRS)

    Lin, Shu

    1990-01-01

    The trellis structure of linear block codes (LBCs) is discussed. The state and branch complexities of a trellis diagram (TD) for a LBC is investigated. The TD with the minimum number of states is said to be minimal. The branch complexity of a minimal TD for a LBC is expressed in terms of the dimensions of specific subcodes of the given code. Then upper and lower bounds are derived on the number of states of a minimal TD for a LBC, and it is shown that a cyclic (or shortened cyclic) code is the worst in terms of the state complexity among the LBCs of the same length and dimension. Furthermore, it is shown that the structural complexity of a minimal TD for a LBC depends on the order of its bit positions. This fact suggests that an appropriate permutation of the bit positions of a code may result in an equivalent code with a much simpler minimal TD. Boolean polynomial representation of codewords of a LBC is also considered. This representation helps in study of the trellis structure of the code. Boolean polynomial representation of a code is applied to construct its minimal TD. Particularly, the construction of minimal trellises for Reed-Muller codes and the extended and permuted binary primitive BCH codes which contain Reed-Muller as subcodes is emphasized. Finally, the structural complexity of minimal trellises for the extended and permuted, and double-error-correcting BCH codes is analyzed and presented. It is shown that these codes have relatively simple trellis structure and hence can be decoded with the Viterbi decoding algorithm.

  9. A C2-symmetric, basic Fe(III) carboxylate complex derived from a novel triptycene-based chelating carboxylate ligand.

    PubMed

    Li, Yang; Wilson, Justin J; Do, Loi H; Apfel, Ulf-Peter; Lippard, Stephen J

    2012-08-21

    A triptycene-based bis(benzoxazole) diacid ligand H(2)L2(Ph4) bearing sterically encumbering groups was synthesized. Treatment of H(2)L2(Ph4) with Fe(OTf)(3) afforded a C(2)-symmetric trinuclear iron(III) complex, [NaFe(3)(L2(Ph4))(2)(μ(3)-O)(μ-O(2)CCPh(3))(2)(H(2)O)(3)](OTf)(2) (8). The triiron core of this complex adopts the well known "basic iron acetate" structure where the heteroleptic carboxylates, comprising two Ph(3)CCO(2)(-) and two (L2(Ph4))(2-) ligands, donate the six carboxylate bridges. The (L2(Ph4))(2-) ligand undergoes only minor conformational changes upon formation of the complex. PMID:22751622

  10. A C2-Symmetric, Basic Fe(III) Carboxylate Complex Derived from a Novel Triptycene-Based Chelating Carboxylate Ligand

    PubMed Central

    Li, Yang; Wilson, Justin J.; Do, Loi H.; Apfel, Ulf-Peter; Lippard, Stephen J.

    2012-01-01

    A triptycene-based bis(benzoxazole) diacid ligand H2L2Ph4 bearing sterically encumbering groups was synthesized. Treatment of H2L2Ph4 with Fe(OTf)3 afforded a C2-symmetric trinuclear iron(III) complex, [NaFe3(L2Ph4)2(μ3-O)(μ-O2CCPh3)2(H2O)3](OTf)2 (8). The triiron core of this complex adopts the well known “basic iron acetate” structure where the heteroleptic carboxylates, comprising two dianionic ligands (L2Ph4)2− and two Ph3CCO2−, donate the six carboxylate bridges. The (L2Ph4)2− ligand undergoes only minor conformational changes upon formation of the complex. PMID:22751622

  11. Data bank homology search algorithm with linear computation complexity.

    PubMed

    Strelets, V B; Ptitsyn, A A; Milanesi, L; Lim, H A

    1994-06-01

    A new algorithm for data bank homology search is proposed. The principal advantages of the new algorithm are: (i) linear computation complexity; (ii) low memory requirements; and (iii) high sensitivity to the presence of local region homology. The algorithm first calculates indicative matrices of k-tuple 'realization' in the query sequence and then searches for an appropriate number of matching k-tuples within a narrow range in database sequences. It does not require k-tuple coordinates tabulation and in-memory placement for database sequences. The algorithm is implemented in a program for execution on PC-compatible computers and tested on PIR and GenBank databases with good results. A few modifications designed to improve the selectivity are also discussed. As an application example, the search for homology of the mouse homeotic protein HOX 3.1 is given. PMID:7922689

  12. Synthesis and spectroscopic investigations of iron(III) complexes with chlorides and dianionic, symmetrically halogen substituted phthalocyanines as ligands.

    PubMed

    Somashekarappa, M P; Keshavayya, J; Sherigara, B S

    2003-03-01

    The synthesis of iron(III) complexes of general formula FeCl(R-pc), where R-pc are dianionic, symmetrically halogen substituted phthalocyanines at the positions 2,9,16,23 or 1,8,15,22, from the corresponding amino substituted derivatives is described (R=Cl, Br, I). The complexes are characterized by UV-visible and infrared spectra, powder X-ray diffraction and magnetic susceptibility measurements. The effect of substituents at the periphery and the basicity of the solvents used on the electronic spectra are discussed. The Q band of the electronic spectra for symmetrically halogen substituted derivatives are redshifted and the substituents at 2,9,16,23- positions are more effective in redshifting the Q bands than those at 1,8,15,22-positions. Depending upon the basicity of the solvents, the ligand-to-metal charge transfer (LMCT) transitions on Q band envelop shift to the higher energy region in the order of pyridine>DMF>DMSO. The infrared absorption signals for C-H and metal-ligand vibrations appear to be sharper for 1,8,15,22 substituted derivatives than for 2,9,16,23 substituted ones. PMID:12609638

  13. Complex dynamics in the Oregonator model with linear delayed feedback

    NASA Astrophysics Data System (ADS)

    Sriram, K.; Bernard, S.

    2008-06-01

    The Belousov-Zhabotinsky (BZ) reaction can display a rich dynamics when a delayed feedback is applied. We used the Oregonator model of the oscillating BZ reaction to explore the dynamics brought about by a linear delayed feedback. The time-delayed feedback can generate a succession of complex dynamics: period-doubling bifurcation route to chaos; amplitude death; fat, wrinkled, fractal, and broken tori; and mixed-mode oscillations. We observed that this dynamics arises due to a delay-driven transition, or toggling of the system between large and small amplitude oscillations, through a canard bifurcation. We used a combination of numerical bifurcation continuation techniques and other numerical methods to explore the dynamics in the strength of feedback-delay space. We observed that the period-doubling and quasiperiodic route to chaos span a low-dimensional subspace, perhaps due to the trapping of the trajectories in the small amplitude regime near the canard; and the trapped chaotic trajectories get ejected from the small amplitude regime due to a crowding effect to generate chaotic-excitable spikes. We also qualitatively explained the observed dynamics by projecting a three-dimensional phase portrait of the delayed dynamics on the two-dimensional nullclines. This is the first instance in which it is shown that the interaction of delay and canard can bring about complex dynamics.

  14. Cu(2+), Zn(2+), and Ni(2+) Complexes of C2-Symmetric Pseudopeptides with an Aromatic Central Spacer.

    PubMed

    Gorla, Lingaraju; Martí-Centelles, Vicente; Freimuth, Lena; Altava, Belén; Burguete, M Isabel; Luis, Santiago V

    2016-08-01

    Two new tetradentate C2-symmetric pseudopeptidic ligands derived from Val and Phe containing two amino and two amido groups and a central o-substituted aromatic spacer have been prepared. Their complexes with Cu(2+), Zn(2+), and Ni(2+) have been studied by potentiometry, UV-vis spectrophotometry, FT-IR, and ESI-MS. The presence of the aromatic spacer provides Cu(2+) complexes with stability constants several orders of magnitude higher than those observed for related ligands containing aliphatic central spacers. Besides, the formation of [MH-2L] complex species is favored. Crystal structures for the corresponding Cu(2+) and Ni(2+) have been obtained, revealing the metal atom in an essentially square-planar geometry, although, in several instances, the oxygen atom of an amide carbonyl of a second complex species can act as a fifth coordination site. In the case of Zn(2+), the only crystal structure obtained displays a square-pyramidal arrangement of the metal center. Finally, preliminary experiments show the catalytic activity of some of these complexes, in particular, Zn(2+) complexes, for epoxide ring-opening with using aniline as the nucleophile in a ligand accelerated process. PMID:27438410

  15. Symmetrizing the symmetrization postulate

    NASA Astrophysics Data System (ADS)

    York, Michael

    2000-11-01

    Reasonable requirements of (a) physical invariance under particle permutation and (b) physical completeness of state descriptions [1], enable us to deduce a Symmetric Permutation Rule(SPR): that by taking care with our state descriptions, it is always possible to construct state vectors (or wave functions) that are purely symmetric under pure permutation for all particles, regardless of type distinguishability or spin. The conventional exchange antisymmetry for two identical half-integer spin particles is shown to be due to a subtle interdependence in the individual state descriptions arising from an inherent geometrical asymmetry. For three or more such particles, however, antisymmetrization of the state vector for all pairs simultaneously is shown to be impossible and the SPR makes observably different predictions, although the usual pairwise exclusion rules are maintained. The usual caveat of fermion antisymmetrization—that composite integer spin particles (with fermionic constituents) behave only approximately like bosons—is no longer necessary.

  16. Critical coupling and coherent perfect absorption for ranges of energies due to a complex gain and loss symmetric system

    SciTech Connect

    Hasan, Mohammad; Ghatak, Ananya; Mandal, Bhabani Prasad

    2014-05-15

    We consider a non-Hermitian medium with a gain and loss symmetric, exponentially damped potential distribution to demonstrate different scattering features analytically. The condition for critical coupling (CC) for unidirectional wave and coherent perfect absorption (CPA) for bidirectional waves are obtained analytically for this system. The energy points at which total absorption occurs are shown to be the spectral singular points for the time reversed system. The possible energies at which CC occurs for left and right incidence are different. We further obtain periodic intervals with increasing periodicity of energy for CC and CPA to occur in this system. -- Highlights: •Energy ranges for CC and CPA are obtained explicitly for complex WS potential. •Analytical conditions for CC and CPA for PT symmetric WS potential are obtained. •Conditions for left and right CC are shown to be different. •Conditions for CC and CPA are shown to be that of SS for the time reversed system. •Our model shows the great flexibility of frequencies for CC and CPA.

  17. Unpacking the Complexity of Linear Equations from a Cognitive Load Theory Perspective

    ERIC Educational Resources Information Center

    Ngu, Bing Hiong; Phan, Huy P.

    2016-01-01

    The degree of element interactivity determines the complexity and therefore the intrinsic cognitive load of linear equations. The unpacking of linear equations at the level of operational and relational lines allows the classification of linear equations in a hierarchical level of complexity. Mapping similar operational and relational lines across…

  18. Hydrogels with cylindrically symmetric structure at macroscopic scale by self-assembly of semi-rigid polyion complex.

    PubMed

    Wu, Zi Liang; Kurokawa, Takayuki; Liang, Songmiao; Furukawa, Hidemitsu; Gong, Jian Ping

    2010-07-28

    A hydrogel with cylindrically symmetric structure at macroscopic scale has been developed by polymerization of a cationic monomer in the presence of a small amount of semi-rigid polyanion poly(2,2'-disulfonyl-4,4'-benzidine terephthalamide) (PBDT) in a cylinder glass tube. The polyion complex radially aligns in the outer region of the synthesized cylinder gel. On the other hand, it orients in concentric and axial directions in the inner region. To the authors' knowledge, this is the first report of such millimeter-scale ordered structure developed in a polymeric hydrogel. We elucidate that homeotropic alignment on the glass wall is energetically favorable for the semi-rigid polyion complex, resulting in the radial orientation in the outer region. In the inner region, the oriented structures result from the monomer difffusion (due to the heterogeneous polymerization) that induces PBDT orientation perpendicular to the diffusion direction. The structured gels showing sensitive response of birefringence to external force are expected to find applications in optical sensors. PMID:20590113

  19. Synthesis and characterization of a monomeric octahedral C2-symmetric titanium complex bearing two 3,3'-diphenyl-2,2'-biphenol ligands.

    PubMed

    Diebold, Carine; Mobian, Pierre; Huguenard, Clarisse; Allouche, Lionel; Henry, Marc

    2009-12-14

    The 3,3'-diphenyl-2,2'-biphenol (dpbpolH(2)) ligand is shown to react with Ti(OPr(i))(4) in a 2:1 ratio to yield a novel C(2)-symmetric mononuclear octahedral Ti(IV) bis-biphenolate complex, cis-Ti(dpbpol)(2)(HOPr(i))(2). PMID:19921051

  20. On the solutions of some linear complex quaternionic equations.

    PubMed

    Bolat, Cennet; İpek, Ahmet

    2014-01-01

    Some complex quaternionic equations in the type AX - XB = C are investigated. For convenience, these equations were called generalized Sylvester-quaternion equations, which include the Sylvester equation as special cases. By the real matrix representations of complex quaternions, the necessary and sufficient conditions for the solvability and the general expressions of the solutions are obtained. PMID:25101318

  1. Characterization of a potentially axially symmetric europium(III) complex of a tetraacetate,tetraaza, macrocyclic ligand by luminescence excitation, emission and lifetime spectroscopy

    NASA Astrophysics Data System (ADS)

    Albin, Michael; de, William; Horrocks, W., Jr.; Liotta, Frank J.

    1982-01-01

    The Eu(III) complex of the octadentate macrocyclic ligand, 1,4,7,10-tetraazacyclododecane-N,N',N'',N''' -tetraacetate, DOTA, has been examined by luminescence excitation, emission, and lifetime spectroscopy using pulsed dye laser techniques. The results confirm the expected axially symmetric nature of the major component in solution and reveal that 1.2 ± 0.4 water molecules arc coordinatcd to the Eu(III) ion in the complex.

  2. Complex craniofacial changes in blind cave-dwelling fish are mediated by genetically symmetric and asymmetric loci.

    PubMed

    Gross, Joshua B; Krutzler, Amanda J; Carlson, Brian M

    2014-04-01

    The genetic regulators of regressive craniofacial morphologies are poorly understood. To shed light on this problem, we examined the freshwater fish Astyanax mexicanus, a species with surface-dwelling and multiple independent eyeless cave-dwelling forms. Changes affecting the skull in cavefish include morphological alterations to the intramembranous circumorbital bones encircling the eye. Many of these modifications, however, have evolved separately from eye loss, such as fragmentation of the third suborbital bone. To understand the genetic architecture of these eye-independent craniofacial alterations, we developed and scored 33 phenotypes in the context of an F2 hybrid mapping pedigree bred from Pachón cavefish and surface fish. We discovered several individuals exhibiting dramatic left-right differences in bone formation, such as extensive fragmentation on the right side only. This observation, along with well-known eye size asymmetry in natural cave-dwelling animals, led us to further evaluate left-right genetic differences for the craniofacial complex. We discovered three phenotypes, inclusive of bone fragmentation and fusion, which demonstrated a directional heritable basis only on one side. Interestingly, the overall areas of affected bones were genetically symmetric. Phenotypic effect plots of these novel craniofacial QTL revealed that cave alleles are associated with abnormal conditions such as bony fusion and fragmentation. Moreover, many linked loci overlapped with other cave-associated traits, suggesting regressive craniofacial changes may evolve through linkage or as antagonistic pleiotropic consequences of cave-associated adaptations. These novel findings illuminate significant craniofacial changes accompanying evolution in complete darkness and reveal complex changes to the skull differentially influenced by genetic changes affecting the left and right sides. PMID:24496009

  3. Complex Craniofacial Changes in Blind Cave-Dwelling Fish Are Mediated by Genetically Symmetric and Asymmetric Loci

    PubMed Central

    Gross, Joshua B.; Krutzler, Amanda J.; Carlson, Brian M.

    2014-01-01

    The genetic regulators of regressive craniofacial morphologies are poorly understood. To shed light on this problem, we examined the freshwater fish Astyanax mexicanus, a species with surface-dwelling and multiple independent eyeless cave-dwelling forms. Changes affecting the skull in cavefish include morphological alterations to the intramembranous circumorbital bones encircling the eye. Many of these modifications, however, have evolved separately from eye loss, such as fragmentation of the third suborbital bone. To understand the genetic architecture of these eye-independent craniofacial alterations, we developed and scored 33 phenotypes in the context of an F2 hybrid mapping pedigree bred from Pachón cavefish and surface fish. We discovered several individuals exhibiting dramatic left–right differences in bone formation, such as extensive fragmentation on the right side only. This observation, along with well-known eye size asymmetry in natural cave-dwelling animals, led us to further evaluate left–right genetic differences for the craniofacial complex. We discovered three phenotypes, inclusive of bone fragmentation and fusion, which demonstrated a directional heritable basis only on one side. Interestingly, the overall areas of affected bones were genetically symmetric. Phenotypic effect plots of these novel craniofacial QTL revealed that cave alleles are associated with abnormal conditions such as bony fusion and fragmentation. Moreover, many linked loci overlapped with other cave-associated traits, suggesting regressive craniofacial changes may evolve through linkage or as antagonistic pleiotropic consequences of cave-associated adaptations. These novel findings illuminate significant craniofacial changes accompanying evolution in complete darkness and reveal complex changes to the skull differentially influenced by genetic changes affecting the left and right sides. PMID:24496009

  4. Generalized Vibrational Perturbation Theory for Rotovibrational Energies of Linear, Symmetric and Asymmetric Tops: Theory, Approximations, and Automated Approaches to Deal with Medium-to-Large Molecular Systems

    PubMed Central

    Piccardo, Matteo; Bloino, Julien; Barone, Vincenzo

    2015-01-01

    Models going beyond the rigid-rotor and the harmonic oscillator levels are mandatory for providing accurate theoretical predictions for several spectroscopic properties. Different strategies have been devised for this purpose. Among them, the treatment by perturbation theory of the molecular Hamiltonian after its expansion in power series of products of vibrational and rotational operators, also referred to as vibrational perturbation theory (VPT), is particularly appealing for its computational efficiency to treat medium-to-large systems. Moreover, generalized (GVPT) strategies combining the use of perturbative and variational formalisms can be adopted to further improve the accuracy of the results, with the first approach used for weakly coupled terms, and the second one to handle tightly coupled ones. In this context, the GVPT formulation for asymmetric, symmetric, and linear tops is revisited and fully generalized to both minima and first-order saddle points of the molecular potential energy surface. The computational strategies and approximations that can be adopted in dealing with GVPT computations are pointed out, with a particular attention devoted to the treatment of symmetry and degeneracies. A number of tests and applications are discussed, to show the possibilities of the developments, as regards both the variety of treatable systems and eligible methods. © 2015 Wiley Periodicals, Inc. PMID:26345131

  5. Stability and complexity of small random linear systems

    NASA Astrophysics Data System (ADS)

    Hastings, Harold

    2010-03-01

    We explore the stability of the small random linear systems, typically involving 10-20 variables, motivated by dynamics of the world trade network and the US and Canadian power grid. This report was prepared as an account of work sponsored by an agency of the US Government. Neither the US Government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the US Government or any agency thereof. The views and opinions of authors expressed herein do not necessarily state or reflect those of the US Government or any agency thereof.

  6. Quantifying Stability in Complex Networks: From Linear to Basin Stability

    NASA Astrophysics Data System (ADS)

    Kurths, Jürgen

    The human brain, power grids, arrays of coupled lasers and the Amazon rainforest are all characterized by multistability. The likelihood that these systems will remain in the most desirable of their many stable states depends on their stability against significant perturbations, particularly in a state space populated by undesirable states. Here we claim that the traditional linearization-based approach to stability is in several cases too local to adequately assess how stable a state is. Instead, we quantify it in terms of basin stability, a new measure related to the volume of the basin of attraction. Basin stability is non-local, nonlinear and easily applicable, even to high-dimensional systems. It provides a long-sought-after explanation for the surprisingly regular topologies of neural networks and power grids, which have eluded theoretical description based solely on linear stability. Specifically, we employ a component-wise version of basin stability, a nonlinear inspection scheme, to investigate how a grid's degree of stability is influenced by certain patterns in the wiring topology. Various statistics from our ensemble simulations all support one main finding: The widespread and cheapest of all connection schemes, namely dead ends and dead trees, strongly diminish stability. For the Northern European power system we demonstrate that the inverse is also true: `Healing' dead ends by addition of transmission lines substantially enhances stability. This indicates a crucial smart-design principle for tomorrow's sustainable power grids: add just a few more lines to avoid dead ends. Further, we analyse the particular function of certain network motifs to promote the stability of the system. Here we uncover the impact of so-called detour motifs on the appearance of nodes with a poor stability score and discuss the implications for power grid design. Moreover, it will be shown that basin stability enables uncovering the mechanism for explosive synchronization and

  7. Symmetric textures

    SciTech Connect

    Ramond, P. . Dept. of Physics)

    1993-01-01

    The Wolfenstein parametrization is extended to the quark masses in the deep ultraviolet, and an algorithm to derive symmetric textures which are compatible with existing data is developed. It is found that there are only five such textures.

  8. Symmetric textures

    SciTech Connect

    Ramond, P.

    1993-04-01

    The Wolfenstein parametrization is extended to the quark masses in the deep ultraviolet, and an algorithm to derive symmetric textures which are compatible with existing data is developed. It is found that there are only five such textures.

  9. A mass spectrometric method for rapidly assaying the chiral selectivities of the copper(I) complexes of C2-symmetric ligands.

    PubMed

    Davis, Mark C; Gronert, Scott

    2015-11-01

    A gas-phase method for rapidly assaying the enantioselectivity of metal-centered catalysts is presented. It relies on gas-phase equilibrium measurements in a quadrupole ion trap mass spectrometer. A group of well-established C2-symmetric bis-oxazoline copper(I) complexes was used to identify chiral probe reagents that are capable of profiling the quality of the asymmetric environment provided by the metal complex. The chiral probes were then applied to a wide variety of copper(I) bis-di-imine complexes. Complexes based on a BINAM backbone exhibited selectivities that were comparable to the bis-oxazolines. Taking advantage of the mass selectivity capabilities of the ion trap mass spectrometer, the method was also applied to an un-purified mix of copper(I) complexes derived from a combinatorial synthesis of bis-di-imine ligands. This approach holds promise as a rapid screening tool for potential chiral catalysts. PMID:26505773

  10. Origin of non-linearity in phase solubility: solubilisation by cyclodextrin beyond stoichiometric complexation.

    PubMed

    Nicol, Thomas W J; Matubayasi, Nobuyuki; Shimizu, Seishi

    2016-06-01

    The low solubility of drugs, which poses a serious problem in drug development, can in part be overcome by the use of cyclodextrins (CDs) and their derivatives. Here, the key to solubilisation is identified as the formation of inclusion complexes with the drug molecule. If inclusion complexation were the only contribution to drug solubility, it would increase linearly with CD concentration (as per the Higuchi-Connors model); this is because inclusion complexation is a 1 : 1 stoichiometric process. However, solubility curves often deviate from this linearity, whose mechanism is yet to be understood. Here we aim to clarify the origin of such non-linearity, based on the Kirkwood-Buff and the McMillan-Mayer theories of solutions. The rigorous statistical thermodynamic theory shows that non-linearity of solubilisation can be rationalised by two contributions: CD-drug interaction and the drug-induced change of CD-CD interaction. PMID:27206059

  11. Complex transition metal hydrides: linear correlation of countercation electronegativity versus T-D bond lengths.

    PubMed

    Humphries, T D; Sheppard, D A; Buckley, C E

    2015-06-30

    For homoleptic 18-electron complex hydrides, an inverse linear correlation has been established between the T-deuterium bond length (T = Fe, Co, Ni) and the average electronegativity of the metal countercations. This relationship can be further employed towards aiding structural solutions and predicting physical properties of novel complex transition metal hydrides. PMID:26077621

  12. Concise Asymmetric Construction of C2 -symmetric 1,9-Diarylnonanoids Using a Hypervalent Silicon Complex: Total Synthesis of (-)-Ericanone.

    PubMed

    Kotani, Shunsuke; Kai, Kosuke; Shimoda, Yasushi; Hu, Hao; Gao, Shen; Sugiura, Masaharu; Ogasawara, Masamichi; Nakajima, Makoto

    2016-02-01

    By using a phosphine oxide-catalyzed enantioselective double aldol reaction, we achieved the concise construction of C2 -symmetric 1,9-diarylnonanoids, enabling the synthesis of (-)-ericanone from p-hydroxybenzaldehyde in 6 steps with 65 % overall yield. The enantioselective double aldol reaction is useful for establishing C2 -symmetric 1,9-diaryl-3,7-dihydroxy-5-nonanones with a single operation. Furthermore, the use of o-nosyl-protected p-hydroxybenzaldehyde and a 4,4'-disubstituted BINAP dioxide catalyst dramatically improved the reactivity and selectivity in the double aldol reaction, enabling the total synthesis of (-)-ericanone with high yield and with excellent enantiopurity. PMID:26610889

  13. Electron-rich linear triplatinum complexes stabilized by a spinning tetraphosphine, tris(diphenylphosphinomethyl)phosphine.

    PubMed

    Tanase, Tomoaki; Koike, Kanako; Uegaki, Miho; Hatada, Satoko; Nakamae, Kanako; Kure, Bunsho; Ura, Yasuyuki; Nakajima, Takayuki

    2016-05-01

    Linear triplatinum complexes with 48e(-), [Pt3(μ-tdpmp)2(RNC)2](PF6)2 (R = 2,6-xylyl (3), (t)Bu (4)), were synthesized by using a branched tetraphosphine, tris(diphenylphosphinomethyl)phosphine (tdpmp), and characterized by crystallographic and spectroscopic analyses to show their novel dynamic behaviour in the solution state, in which the linear Pt3 unit was stabilized by two spinning tetraphosphine ligands. PMID:27054509

  14. Monodentate non-C(2)-symmetric chiral N-heterocyclic carbene complexes for enantioselective synthesis. Cu-catalyzed conjugate additions of aryl- and alkenylsilylfluorides to cyclic enones.

    PubMed

    Lee, Kang-sang; Hoveyda, Amir H

    2009-06-19

    A new class of enantioselective conjugate addition (ECA) reactions that involve aryl- or alkenylsilyl fluoride reagents and are catalyzed by chiral non-C(2)-symmetric Cu-based N-heterocyclic carbene (NHC) complexes are disclosed. Transformations have been designed based on the principle that a catalytically active chiral NHC-Cu-aryl or NHC-Cu-alkenyl complex can be accessed from reaction of a Cu-halide precursor with in situ-generated aryl- or alkenyltetrafluorosilicate. Reactions proceed in the presence of 1.5 equiv of the aryl- or alkenylsilane reagents and 1.5 equiv of tris(dimethylamino)sulfonium difluorotrimethylsilicate (TASF). Desired products are isolated in 63-97% yield and 73.5:26.5-98.5:1.5 enantiomeric ratio (47%-97% ee). A major focus of the present studies is the design, evaluation, and development of new chiral imidazolinium salts and their derived NHC-Cu complexes as catalysts that promote reactions of various carbosilanes to a range of electrophilic substrates. Toward this end, nearly 20 new chiral monodentate imidazolinium salts, most of which are non-C(2)-symmetric, have been prepared and fully characterized and their ability to serve as catalysts in the ECA reactions has been investigated. PMID:19445467

  15. Synthesis, spectral characterization, DNA binding ability and antibacterial screening of copper(II) complexes of symmetrical NOON tetradentate Schiff bases bearing different bridges

    NASA Astrophysics Data System (ADS)

    Bahaffi, Saleh O.; Abdel Aziz, Ayman A.; El-Naggar, Maher M.

    2012-08-01

    A novel series of four copper(II) complexes were synthesized by thermal reaction of copper acetate salt with symmetrical tetradentate Schiff bases, N,N'bis(o-vanillin)4,5-dimethyl-l,2-phenylenediamine (H2L1), N,N'bis(salicylaldehyde)4,5-dimethyl-1,2-phenylenediamine (H2L2), N,N'bis(o-vanillin)4,5-dichloro-1,2-phenylenediamine (H2L3) and N,N'bis(salicylaldehyde)4,5-dichloro-1,2-phenylenediamine (H2L4), respectively. All the new synthesized complexes were characterized by using of microanalysis, FT-IR, UV-Vis, magnetic measurements, ESR, and conductance measurements, respectively. The data revealed that all the Schiff bases (H2L1-4) coordinate in their deprotonated forms and behave as tetradentate NOON coordinated ligands. Moreover, their copper(II) complexes have square planar geometry with general formula [CuL1-4]. The binding of the complexes with calf thymus DNA (CT-DNA) was investigated by UV-Vis spectrophotometry, fluorescence quenching and viscosity measurements. The results indicated that the complexes bind to CT-DNA through an intercalative mode. From the biological activity view, the copper(II) complexes and their parent ligands were screened for their in vitro antibacterial activity against the bacterial species Staphylococcus aureus, Staphylococcus epidermidis, Escherichia coli and Pseudomonas aeruginosai by well diffusion method. The complexes showed an increased activity in comparison to some standard drugs.

  16. PT-symmetric strings

    SciTech Connect

    Amore, Paolo; Fernández, Francisco M.; Garcia, Javier; Gutierrez, German

    2014-04-15

    We study both analytically and numerically the spectrum of inhomogeneous strings with PT-symmetric density. We discuss an exactly solvable model of PT-symmetric string which is isospectral to the uniform string; for more general strings, we calculate exactly the sum rules Z(p)≡∑{sub n=1}{sup ∞}1/E{sub n}{sup p}, with p=1,2,… and find explicit expressions which can be used to obtain bounds on the lowest eigenvalue. A detailed numerical calculation is carried out for two non-solvable models depending on a parameter, obtaining precise estimates of the critical values where pair of real eigenvalues become complex. -- Highlights: •PT-symmetric Hamiltonians exhibit real eigenvalues when PT symmetry is unbroken. •We study PT-symmetric strings with complex density. •They exhibit regions of unbroken PT symmetry. •We calculate the critical parameters at the boundaries of those regions. •There are exact real sum rules for some particular complex densities.

  17. Symmetrical P4 cleavage at cobalt half sandwich complexes [(η5-C5H5)Co(L)] (L = CO, NHC)--a computational case study on the mechanism of symmetrical P4 degradation to P2 ligands.

    PubMed

    Zarzycki, Bartosz; Bickelhaupt, F Matthias; Radius, Udo

    2013-05-28

    A full theoretical mechanistic investigation on the symmetrical cleavage of P4 at the active complex fragments [(η(5)-C5H5)Co(L)] (L = CO, (i)Pr2Im; (i)Pr2Im = 1,3-di-iso-propylimidazolin-2-ylidene), which results in the formation of the complex [{(η(5)-C5H5)Co}2(μ,η(2:2)-P2)2] 9, is presented. The overall reaction mechanism is a complex, multistep process. Rate-determining steps of the reaction sequence are two consecutive dissociations of the co-ligands L, which induce the decisive structural rearrangements of the P4 unit. The choice of the co-ligand L ( = CO, (i)Pr2Im) influences the kinetic barrier as well as the energy balance of the overall reaction path significantly. The calculations further reveal a strong influence of the entropic effect on the overall reaction. As a consequence, the energy balance of the overall formation of 9 starting from [(η(5)-C5H5)Co(CO)] precursors is almost thermoneutral and has to overcome high kinetic barriers, whereas the reaction starting from [(η(5)-C5H5)Co((i)Pr2Im)] precursors is exothermic, featuring lower transition barriers with stabilized intermediates. From the direct comparison of both reaction coordinates it seems that the entropic effect of the co-ligands is even stronger than their electronic influence, as for both investigated systems the reactions' energy profiles are almost identical up to intermediate [{(η(5)-C5H5)Co(L)}2(μ,η(2:2)-P4)] 5 (L = CO, (i)Pr2Im). After the formation of 5, the first CO dissociation step renders the reaction endothermic for L = CO, whereas in the case of (i)Pr2Im dissociation the reaction progresses exothermically. Energy decomposition analysis and fragment analysis provide a picture of the bonding mechanisms between the metal complex fragments and P4 in the case of the most significant intermediates and the final product. PMID:23515870

  18. Observation of Defect States in PT-Symmetric Optical Lattices

    NASA Astrophysics Data System (ADS)

    Regensburger, Alois; Miri, Mohammad-Ali; Bersch, Christoph; Näger, Jakob; Onishchukov, Georgy; Christodoulides, Demetrios N.; Peschel, Ulf

    2013-05-01

    We provide the first experimental demonstration of defect states in parity-time (PT) symmetric mesh-periodic potentials. Our results indicate that these localized modes can undergo an abrupt phase transition in spite of the fact that they remain localized in a PT-symmetric periodic environment. Even more intriguing is the possibility of observing a linearly growing radiation emission from such defects provided their eigenvalue is associated with an exceptional point that resides within the continuum part of the spectrum. Localized complex modes existing outside the band-gap regions are also reported along with their evolution dynamics.

  19. Relation of the lunar volcano complexes lying on the identical linear gravity anomaly

    NASA Astrophysics Data System (ADS)

    Yamamoto, K.; Haruyama, J.; Ohtake, M.; Iwata, T.; Ishihara, Y.

    2015-12-01

    There are several large-scale volcanic complexes, e.g., Marius Hills, Aristarchus Plateau, Rumker Hills, and Flamsteed area in western Oceanus Procellarum of the lunar nearside. For better understanding of the lunar thermal history, it is important to study these areas intensively. The magmatisms and volcanic eruption mechanisms of these volcanic complexes have been discussed from geophysical and geochemical perspectives using data sets acquired by lunar explorers. In these data sets, precise gravity field data obtained by Gravity Recovery and Interior Laboratory (GRAIL) gives information on mass anomalies below the lunar surface, and useful to estimate location and mass of the embedded magmas. Using GRAIL data, Andrews-Hanna et al. (2014) prepared gravity gradient map of the Moon. They discussed the origin of the quasi-rectangular pattern of narrow linear gravity gradient anomalies located along the border of Oceanus Procellarum and suggested that the underlying dikes played important roles in magma plumbing system. In the gravity gradient map, we found that there are also several small linear gravity gradient anomaly patterns in the inside of the large quasi-rectangular pattern, and that one of the linear anomalies runs through multiple gravity anomalies in the vicinity of Aristarchus, Marius and Flamstead volcano complexes. Our concern is whether the volcanisms of these complexes are caused by common factors or not. To clarify this, we firstly estimated the mass and depth of the embedded magmas as well as the directions of the linear gravity anomalies. The results were interpreted by comparing with the chronological and KREEP distribution maps on the lunar surface. We suggested providing mechanisms of the magma to these regions and finally discussed whether the volcanisms of these multiple volcano complex regions are related with each other or not.

  20. A self-consistent three-wave coupling model with complex linear frequencies

    SciTech Connect

    Kim, J.-H.; Terry, P. W.

    2011-09-15

    A three-wave coupling model with complex linear frequencies is investigated for the nonlinear interaction in a triad that has linearly unstable and stable modes. Time scales associated with linear and nonlinear physics are identified and compared with features of the frequency spectrum. From appropriate time scales, the frequency spectra are well characterized even in the transition to the steady state. The nonlinear time scales that best match spectral features are the nonlinear frequency of the fixed point and a frequency that depends on the amplitude displacement from the fixed point through the large-amplitude Jacobian elliptic solution. Two limited efforts to model the effect of other triads suggest robustness in the single triad results.

  1. Bayesian Model Selection in Complex Linear Systems, as Illustrated in Genetic Association Studies

    PubMed Central

    Wen, Xiaoquan

    2013-01-01

    Summary Motivated by examples from genetic association studies, this paper considers the model selection problem in a general complex linear model system and in a Bayesian framework. We discuss formulating model selection problems and incorporating context-dependent a priori information through different levels of prior specifications. We also derive analytic Bayes factors and their approximations to facilitate model selection and discuss their theoretical and computational properties. We demonstrate our Bayesian approach based on an implemented Markov Chain Monte Carlo (MCMC) algorithm in simulations and a real data application of mapping tissue-specific eQTLs. Our novel results on Bayes factors provide a general framework to perform efficient model comparisons in complex linear model systems. PMID:24350677

  2. Multi-cavity complex controller with vector simulator for TESLA technology linear accelerator

    NASA Astrophysics Data System (ADS)

    Czarski, Tomasz; Pozniak, Krzysztof T.; Romaniuk, Ryszard S.; Szewinski, Jaroslaw

    2008-01-01

    A digital control, as the main part of the Low Level RF system, for superconducting cavities of a linear accelerator is presented. The FPGA based controller, supported by MATLAB system, was developed to investigate a novel firmware implementation. The complex control algorithm based on the non-linear system identification is the proposal verified by the preliminary experimental results. The general idea is implemented as the Multi-Cavity Complex Controller (MCC) and is still under development. The FPGA based controller executes procedure according to the prearranged control tables: Feed-Forward, Set-Point and Corrector unit, to fulfill the required cavity performance: driving in the resonance during filling and field stabilization for the flattop range. Adaptive control algorithm is applied for the feed-forward and feedback modes. The vector Simulator table has been introduced for an efficient verification of the FPGA controller structure. Experimental results of the internal simulation, are presented for a cavity representative condition.

  3. Synthesis, crystal structure, DFT study and photocatalytic property of a new Ni(II) complex of a symmetric N2O4-donor bis-Schiff base ligand

    NASA Astrophysics Data System (ADS)

    Wang, Hu; Meng, Xiangmin; Fan, Chuanbin; Fan, Yuhua; Bi, Caifeng

    2016-03-01

    A new complex, Ni(C22H26N2O10S2)·2CH3OH, with a sexidentate (N2O4) symmetric bis-Schiff base ligand (C22H26N2O10S2 = 1,2-bis(2-methoxy-6-formylphenoxy)ethane-2-aminoethane-sulfonic acid) has been synthesized and characterized by physico-chemical and spectroscopic methods. The X-ray crystal structure shows that the Ni(II) atom of the complex is six-coordinated by two nitrogens from Cdbnd N groups, two oxygens from ether groups and two hydroxyl oxygens from sulfonic acid groups in the mono-ligand, forming a distorted octahedral geometry. Theoretical study of the complex is carried out by density functional theory (DFT) method and the B3LYP method employing the 6-3l+G* basis set. Moreover, the complex proved to be good candidate for the photocatalytic degradation of methylene blue.

  4. Time to change from a simple linear model to a complex systems model

    PubMed Central

    2016-01-01

    A simple linear model to test the hypothesis based on one-on-one relationship has been used to find the causative factors of diseases. However, we now know that not just one, but many factors from different systems such as chemical exposure, genes, epigenetic changes, and proteins are involved in the pathogenesis of chronic diseases such as diabetes mellitus. So, with availability of modern technologies to understand the intricate nature of relations among complex systems, we need to move forward to the future by taking complex systems model. PMID:27158003

  5. Low-coverage surface diffusion in complex periodic energy landscapes: Analytical solution for systems with symmetric hops and application to intercalation in topological insulators

    NASA Astrophysics Data System (ADS)

    Gosálvez, Miguel A.; Otrokov, Mikhail M.; Ferrando, Nestor; Ryabishchenkova, Anastasia G.; Ayuela, Andres; Echenique, Pedro M.; Chulkov, Evgueni V.

    2016-02-01

    This is the first of two papers that introduce a general expression for the tracer diffusivity in complex, periodic energy landscapes with M distinct hop rates in one-, two-, and three-dimensional diluted systems (low-coverage, single-tracer limit). The present report focuses on the analysis of diffusion in systems where the end sites of the hops are located symmetrically with respect to the hop origins (symmetric hops), as encountered in many ideal surfaces and bulk materials. For diffusion in two dimensions, a number of formulas are presented for complex combinations of the different hops in systems with triangular, rectangular, and square symmetry. The formulas provide values in excellent agreement with kinetic Monte Carlo simulations, concluding that the diffusion coefficient can be directly determined from the proposed expressions without performing the simulations. Based on the diffusion barriers obtained from first-principles calculations and a physically meaningful estimate of the attempt frequencies, the proposed formulas are used to analyze the diffusion of Cu, Ag, and Rb adatoms on the surface and within the van der Waals (vdW) gap of a model topological insulator, Bi2Se3 . Considering the possibility of adsorbate intercalation from the terraces to the vdW gaps at morphological steps, we infer that, at low coverage and room temperature, (i) a majority of the Rb atoms bounce back at the steps and remain on the terraces, (ii) Cu atoms mostly intercalate into the vdW gap, the remaining fraction staying at the steps, and (iii) Ag atoms essentially accumulate at the steps and gradually intercalate into the vdW gap. These conclusions are in good qualitative agreement with previous experiments. The companion report (M. A. Gosálvez et al., Phys. Rev. B, submitted] extends the present study to the description of systems that contain asymmetric hops.

  6. 1. Mono((8)annulene)Uranium(4) half-sandwich complexes, 2. Novel syntheses of symmetrically substituted cyclooctatetetraenes

    SciTech Connect

    Boussie, T.R.

    1991-10-01

    A reproducible, high-yield synthesis of mono((8)annulene)uranium(4)dichloride (1) is reported, along with the X-ray crystal structural of the bis(pyridine) adduct. Metathesis reactions of the half-sandwich complex 1 with a variety of simple alkyl and alkoxy reagents failed to generate any isolable mono-ring complexes. Reactions of 1 with polydentate, delocalized anions did produce stable derivatives, including mono((8)annulene)uranium(4)bis(acetylacetonate) (4). An X-ray crystal structure of 4 is reported.

  7. 1. Mono([8]annulene)Uranium(4) half-sandwich complexes, 2. Novel syntheses of symmetrically substituted cyclooctatetetraenes

    SciTech Connect

    Boussie, T.R.

    1991-10-01

    A reproducible, high-yield synthesis of mono([8]annulene)uranium(4)dichloride (1) is reported, along with the X-ray crystal structural of the bis(pyridine) adduct. Metathesis reactions of the half-sandwich complex 1 with a variety of simple alkyl and alkoxy reagents failed to generate any isolable mono-ring complexes. Reactions of 1 with polydentate, delocalized anions did produce stable derivatives, including mono([8]annulene)uranium(4)bis(acetylacetonate) (4). An X-ray crystal structure of 4 is reported.

  8. Nonlinear and linear EEG complexity changes caused by gustatory stimuli in anorexia nervosa.

    PubMed

    Tóth, Erika; Kondákor, István; Túry, Ferenc; Gáti, Agnes; Weisz, Júlia; Molnár, Márk

    2004-02-01

    The objective of the present study was to investigate the effects of pleasant and unpleasant gustatory stimuli on nonlinear and linear complexity measures of the EEG in healthy controls and in anorexia nervosa (AN) patients. The subjects were exposed to unpleasant (bitter tea) and pleasant (chocolate) gustatory stimuli for 2 min. Multichannel EEG was recorded and the dimensional complexity (point-correlation dimension) and Omega complexity were calculated from the EEG epochs corresponding to the above taste conditions. In AN patients lower-dimensional complexity was observed in the majority of recording sites than that seen in controls, independent of taste conditions. Higher Omega complexity was seen in control subjects in the left side irrespective of taste effects. No such hemispheric difference was observed in AN. The lower-dimensional complexity seen in AN patients may be caused by long-lasting effects of malnutrition. The lack of a significant Omega complexity change in response to exposure of sweet taste in the left side seen in AN patients may correspond to a decreased sensitivity to such stimuli in these subjects. PMID:14962577

  9. The Symmetrical Quasi-Classical Model for Electronically Non-Adiabatic Processes Applied to Energy Transfer Dynamics in Site-Exciton Models of Light-Harvesting Complexes.

    PubMed

    Cotton, Stephen J; Miller, William H

    2016-03-01

    In a recent series of papers, it has been illustrated that a symmetrical quasi-classical (SQC) windowing model applied to the Meyer-Miller (MM) classical vibronic Hamiltonian provides an excellent description of a variety of electronically non-adiabatic benchmark model systems for which exact quantum results are available for comparison. In this paper, the SQC/MM approach is used to treat energy transfer dynamics in site-exciton models of light-harvesting complexes, and in particular, the well-known 7-state Fenna-Mathews-Olson (FMO) complex. Again, numerically "exact" results are available for comparison, here via the hierarchical equation of motion (HEOM) approach of Ishizaki and Fleming, and it is seen that the simple SQC/MM approach provides very reasonable agreement with the previous HEOM results. It is noted, however, that unlike most (if not all) simple approaches for treating these systems, because the SQC/MM approach presents a fully atomistic simulation based on classical trajectory simulation, it places no restrictions on the characteristics of the thermal baths coupled to each two-level site, e.g., bath spectral densities (SD) of any analytic functional form may be employed as well as discrete SD determined experimentally or from MD simulation (nor is there any restriction that the baths be harmonic), opening up the possibility of simulating more realistic variations on the basic site-exciton framework for describing the non-adiabatic dynamics of photosynthetic pigment complexes. PMID:26761191

  10. Simply Symmetric

    ERIC Educational Resources Information Center

    de Villiers, Michael

    2011-01-01

    Symmetry is found in the visual arts, architecture and design of artefacts since the earliest time. Many natural objects, both organic and inorganic, display symmetry: from microscopic crystals and sub-atomic particles to macro-cosmic galaxies. Today it features strongly in higher mathematics such as Linear and Abstract Algebra, Projective and…

  11. Crystallization and structure determination of a symmetrical 'football' complex of the mammalian mitochondrial Hsp60-Hsp10 chaperonins.

    PubMed

    Nisemblat, Shahar; Parnas, Avital; Yaniv, Oren; Azem, Abdussalam; Frolow, Felix

    2014-01-01

    The mitochondrial Hsp60-Hsp10 complex assists the folding of various proteins impelled by ATP hydrolysis, similar to the bacterial chaperonins GroEL and GroES. The near-atomic structural details of the mitochondrial chaperonins are not known, despite the fact that almost two decades have passed since the structures of the bacterial chaperonins became available. Here, the crystallization procedure, diffraction experiments and structure determination by molecular replacement of the mammalian mitochondrial chaperonin HSP60 (E321K mutant) and its co-chaperonin Hsp10 are reported. PMID:24419632

  12. A Low-Complexity ESPRIT-Based DOA Estimation Method for Co-Prime Linear Arrays.

    PubMed

    Sun, Fenggang; Gao, Bin; Chen, Lizhen; Lan, Peng

    2016-01-01

    The problem of direction-of-arrival (DOA) estimation is investigated for co-prime array, where the co-prime array consists of two uniform sparse linear subarrays with extended inter-element spacing. For each sparse subarray, true DOAs are mapped into several equivalent angles impinging on the traditional uniform linear array with half-wavelength spacing. Then, by applying the estimation of signal parameters via rotational invariance technique (ESPRIT), the equivalent DOAs are estimated, and the candidate DOAs are recovered according to the relationship among equivalent and true DOAs. Finally, the true DOAs are estimated by combining the results of the two subarrays. The proposed method achieves a better complexity-performance tradeoff as compared to other existing methods. PMID:27571079

  13. High bandwidth linear viscoelastic properties of complex fluids from the measurement of their free surface fluctuations

    NASA Astrophysics Data System (ADS)

    Pottier, Basile; Talini, Laurence; Frétigny, Christian

    2012-02-01

    We present a new optical method to measure the linear viscoelastic properties of materials, ranging from complex fluids to soft solids, within a large frequency range (about 0.1--10^4 Hz). The surface fluctuation specular reflection technique is based on the measurement of the thermal fluctuations of the free surfaces of materials at which a laser beam is specularly reflected. The propagation of the thermal surface waves depends on the surface tension, density, and complex viscoelastic modulus of the material. For known surface tension and density, we show that the frequency dependent elastic and loss moduli can be deduced from the fluctuation spectrum. Using a viscoelastic solid (a cross-linked PDMS), which linear viscoelastic properties are known in a large frequency range from rheometric measurements and the time--temperature superposition principle, we show that there is a good agreement between the rheological characterization provided by rheometric and fluctuation measurements. We also present measurements conducted with complex fluids that are supramolecular polymer solutions. The agreement with other low frequency and high frequency rheological measurements is again very good, and we discuss the sensitivity of the technique to surface viscoelasticity.

  14. Theoretical differential Raman scattering cross-sections of totally-symmetric vibrational modes of free pyridine and pyridine-metal cluster complexes

    NASA Astrophysics Data System (ADS)

    Wu, D. Y.; Hayashi, M.; Lin, S. H.; Tian, Z. Q.

    2004-01-01

    The differential Raman scattering cross-sections of totally-symmetric vibrational modes for pyridine and pyridine-metal clusters have been calculated by using ab initio and density functional methods. The results are compared with experimental data and a good agreement is obtained. In particular, we can theoretically reproduce the significant changes in the relative Raman intensities of the ν12 mode in pyridine-metal cluster complexes. We focus on two mechanisms for these Raman intensities changes: (1) the chemical interaction between the pyridine and the metal clusters; and (2) the charge transfer mechanism. For the pyridine-silver cluster complexes, we find that due to the weak bonding, the chemical interaction does not influence the relative intensities of the Raman peaks of the ν1 and ν12 modes. However, in the case where the copper or the gold clusters are attached to pyridine, the intensity of the band of the ν12 mode is weakened significantly. We also find that the charge transfer mechanism increases the asymmetry of the bands of the ν1 and ν12 modes on all three metals.

  15. Ruthenium bistridentate complexes with non-symmetrical hexahydro-pyrimidopyrimidine ligands: a structural and theoretical investigation of their optical and electrochemical properties.

    PubMed

    Laramée-Milette, Baptiste; Hanan, Garry S

    2016-08-01

    Six ruthenium complexes were synthesized based on three non-symmetrical tridentate ligands bearing the strongly electron-donating group 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-α]pyrimidine (hpp), bpyG (bpyG = 2,2'-bipyridyl-6-hpp), phenG (phenG = 2-hpp-1,10-phenanthroline) and QpyG (QpyG = 2-hpp-6-quinolylpyridyl). The fac-/mer-conformation of the homoleptic species has a dramatic effect on the optical properties, where the fac-isomer absorption is red-shifted by 150 nm, thus reaching the near-IR at approximately 850 nm. Owing to the interesting structural effect on the optical properties, density functional theory (DFT) and time-dependent DFT calculations have been implemented to enlighten the experimental data and prove that exciton coupling is at the origin of the observed shift. The electronic properties have been investigated and, as corroborated by electrochemical data, the presence of the hpp ligand strongly affects the oxidation potential of the ruthenium metal ion, which allows facile fine-tuning of the electronic properties. The luminescence properties of all the compounds have also been investigated (λmax emission = 781-817 nm) and the complexes have longer excited-state lifetimes at room temperature than the parent bis(2,2':6',2''-terpyridine)ruthenium(ii) by 10 to 30 times. PMID:27436338

  16. The effects of asymmetric vs. symmetric probability of targets following probe and irrelevant stimuli in the complex trial protocol for detection of concealed information with P300.

    PubMed

    Rosenfeld, J Peter; Tang, Monica; Meixner, John; Winograd, Michael; Labkovsky, Elena

    2009-08-01

    The complex trial protocol (CTP, [J.P. Rosenfeld, E. Labkovsky, M. Winograd, M.A. Lui, C. Vandenboom & E. Chedid (2008), The complex trial protocol (CTP): a new, countermeasure-resistant, accurate P300-based method for detection of concealed information. Psychophysiology, 45, 906-919.]) is a sensitive, new, countermeasure-resistant, P300-based concealed information protocol in which a first stimulus (Probe or Irrelevant) is followed after about 1.4-1.8 s by a Target or Non-Target second stimulus within one trial. It has been previously run with a potentially confounding asymmetric conditional probability of Targets following Probes vs. Irrelevants. This present study compared asymmetric vs. symmetric conditional probability groups and found no significant differences in detection rates or Probe-minus-Irrelevant P300 differences between groups. Group differences were seen in error rates and reaction times (RT) to second stimuli. These differences were, however, not diagnostic for deception vs. truth-telling, and were attributable to response perseveration. PMID:19374912

  17. Up-converted fluorescence from photosynthetic light-harvesting complexes linearly dependent on excitation intensity.

    PubMed

    Leiger, Kristjan; Freiberg, Arvi

    2016-01-01

    Weak up-converted fluorescence related to bacteriochlorophyll a was recorded from various detergent-isolated and membrane-embedded light-harvesting pigment-protein complexes as well as from the functional membranes of photosynthetic purple bacteria under continuous-wave infrared laser excitation at 1064 nm, far outside the optically allowed singlet absorption bands of the chromophore. The fluorescence increases linearly with the excitation power, distinguishing it from the previously observed two-photon excited fluorescence upon femtosecond pulse excitation. Possible mechanisms of this excitation are discussed. PMID:25764015

  18. Linear Superposition and Prediction of Bacterial Promoter Activity Dynamics in Complex Conditions

    PubMed Central

    Rothschild, Daphna; Dekel, Erez; Hausser, Jean; Bren, Anat; Aidelberg, Guy; Szekely, Pablo; Alon, Uri

    2014-01-01

    Bacteria often face complex environments. We asked how gene expression in complex conditions relates to expression in simpler conditions. To address this, we obtained accurate promoter activity dynamical measurements on 94 genes in E. coli in environments made up of all possible combinations of four nutrients and stresses. We find that the dynamics across conditions is well described by two principal component curves specific to each promoter. As a result, the promoter activity dynamics in a combination of conditions is a weighted average of the dynamics in each condition alone. The weights tend to sum up to approximately one. This weighted-average property, called linear superposition, allows predicting the promoter activity dynamics in a combination of conditions based on measurements of pairs of conditions. If these findings apply more generally, they can vastly reduce the number of experiments needed to understand how E. coli responds to the combinatorially huge space of possible environments. PMID:24809350

  19. A Triad of Highly Reduced, Linear Iron Nitrosyl Complexes: {FeNO}(8-10).

    PubMed

    Chalkley, Matthew J; Peters, Jonas C

    2016-09-19

    Given the importance of Fe-NO complexes in both human biology and the global nitrogen cycle, there has been interest in understanding their diverse electronic structures. Herein a redox series of isolable iron nitrosyl complexes stabilized by a tris(phosphine)borane (TPB) ligand is described. These structurally characterized iron nitrosyl complexes reside in the following highly reduced Enemark-Feltham numbers: {FeNO}(8) , {FeNO}(9) , and {FeNO}(10) . These {FeNO}(8-10) compounds are each low-spin, and feature linear yet strongly activated nitric oxide ligands. Use of Mössbauer, EPR, NMR, UV/Vis, and IR spectroscopy, in conjunction with DFT calculations, provides insight into the electronic structures of this uncommon redox series of iron nitrosyl complexes. In particular, the data collectively suggest that {TPBFeNO}(8-10) are all remarkably covalent. This covalency is likely responsible for the stability of this system across three highly reduced redox states that correlate with unusually high Enemark-Feltham numbers. PMID:27560776

  20. Development of a C3-symmetric benzohydroxamate tripod: Trimetallic complexation with Fe(III), Cr(III) and Al(III)

    NASA Astrophysics Data System (ADS)

    Baral, Minati; Gupta, Amit; Kanungo, B. K.

    2016-06-01

    The design, synthesis and physicochemical characterization of a C3-symmetry Benzene-1,3,5-tricarbonylhydroxamate tripod, noted here as BTHA, are described. The chelator was built from a benzene as an anchor, symmetrically extended by three hydroxamate as ligating moieties, each bearing O, O donor sites. A combination of absorption spectrophotometry, potentiometry and theoretical investigations are used to explore the complexation behavior of the ligand with some trivalent metal ions: Fe(III), Cr(III), and Al(III). Three protonation constants were calculated for the ligand in a pH range of 2-11 in a highly aqueous medium (9:1 H2O: DMSO). A high rigidity in the molecular structure restricts the formation of 1:1 (M/L) metal encapsulation but shows a high binding efficiency for a 3:1 metal ligand stoichiometry giving formation constant (in β unit) 28.73, 26.13 and 19.69 for [M3L]; Mdbnd Fe(III), Al(III) and Cr(III) respectively, and may be considered as an efficient Fe-carrier. The spectrophotometric study reveals of interesting electronic transitions occurred during the complexation. BTHA exhibits a peak at 238 nm in acidic pH and with the increase of pH, a new peak appeared at 270 nm. A substantial shifting in both of the peaks in presence of the metal ions implicates a s coordination between ligand and metal ions. Moreover, complexation of BTHA with iron shows three distinct colors, violet, reddish orange and yellow in different pH, enables the ligand to be considered for the use as colorimetric sensor.

  1. Development of a C3-symmetric benzohydroxamate tripod: Trimetallic complexation with Fe(III), Cr(III) and Al(III).

    PubMed

    Baral, Minati; Gupta, Amit; Kanungo, B K

    2016-06-01

    The design, synthesis and physicochemical characterization of a C3-symmetry Benzene-1,3,5-tricarbonylhydroxamate tripod, noted here as BTHA, are described. The chelator was built from a benzene as an anchor, symmetrically extended by three hydroxamate as ligating moieties, each bearing O, O donor sites. A combination of absorption spectrophotometry, potentiometry and theoretical investigations are used to explore the complexation behavior of the ligand with some trivalent metal ions: Fe(III), Cr(III), and Al(III). Three protonation constants were calculated for the ligand in a pH range of 2-11 in a highly aqueous medium (9:1 H2O: DMSO). A high rigidity in the molecular structure restricts the formation of 1:1 (M/L) metal encapsulation but shows a high binding efficiency for a 3:1 metal ligand stoichiometry giving formation constant (in β unit) 28.73, 26.13 and 19.69 for [M3L]; MFe(III), Al(III) and Cr(III) respectively, and may be considered as an efficient Fe-carrier. The spectrophotometric study reveals of interesting electronic transitions occurred during the complexation. BTHA exhibits a peak at 238nm in acidic pH and with the increase of pH, a new peak appeared at 270nm. A substantial shifting in both of the peaks in presence of the metal ions implicates a s coordination between ligand and metal ions. Moreover, complexation of BTHA with iron shows three distinct colors, violet, reddish orange and yellow in different pH, enables the ligand to be considered for the use as colorimetric sensor. PMID:26970809

  2. Turning symmetric an asymmetric hydrogen bond with the inclusion of nuclear quantum effects: the case of the [CN···H···NC]- complex.

    PubMed

    Moreno, Diego V; González, Sergio A; Reyes, Andrés

    2011-01-14

    Nuclear quantum effects (NQE) on the geometry, energy, and electronic structure of the [CN·L·NC](-) complex (L = H, D, T) are investigated with the recently developed APMO/MP2 code. This code implements the nuclear molecular orbital approach (NMO) at the Hartree-Fock (HF) and MP2 levels of theory for electrons and quantum nuclei. In a first study, we examined the H/D/T isotope effects on the geometry and electronic structure of the CNH molecule at NMO/HF and NMO/MP2 levels of theory. We found that when increasing the hydrogen nuclear mass there is a reduction of the R(N-H) bond distance and an increase of the electronic population on the hydrogen atom. Our calculated bond distances are in good agreement with experimental and other theoretical results. In a second investigation, we explored the hydrogen NQE on the geometry of [CNHNC](-) complex at the NMO/HF and NMO/MP2 levels of theory. We discovered that while a NMO/HF calculation presented an asymmetric hydrogen bond, the NMO/MP2 calculation revealed a symmetric H-bond. We also examined the H/D/T isotope effects on the geometry and stabilization energy of the [CNHNC](-) complex. We noted that gradual increases in hydrogen mass led to reductions of the R(NN) distance and destabilization of the hydrogen bond (H-bond). A discussion of these results is given in terms of the hydrogen nuclear delocalization effects on the electronic structure and energy components. To the best of our knowledge, this is the first ab initio NMO study that reveals the importance of including nuclear quantum effects in conventional electronic structure calculations for an enhanced description of strong-low-barrier H-bonded systems. PMID:21241088

  3. Comparison of Crystal Field Dependent and Independent Methods to Analyse Lanthanide Induced NMR Shifts in Axially Symmetric Complexes. Part II: Systems with a C4 Symmetry Axis

    PubMed Central

    Zhang, Shanrong; Sherry, A. Dean

    2003-01-01

    Analysis of the LIS data for several series of Ln3+ complexes of C4 symmetry in terms of structural changes, crystal-field effects and/or variation of hyperfine constants along the lanthanide series was undertaken using a combination of the two-nuclei and three-nuclei techniques together with the classical onenucleus technique. Isostructurality of whole series of complexes, with changes of the Fi, and B02 parameters, was clearly defined for the complexes of L by the combination of the two first methods. Small changes, involving the three Fi, Gi and B02 parameters, are observed for the series of complexes of L-L4, using the three data plotting methods. Some of the plots according to the two- and three-nuclei methods are accidentally linear, without necessarily implying isostructurality of the complexes, as they involve parameters, which may be insensitive to any small structural changes occurring in these systems. These parameter variations could result from a magnification, by the present graphical analysis, of the breaks expected from the gradual structural changes along the series due to the lanthanide contraction. The α and β parameters of the three-nuclei method are not diagnostic of the type of structures the complexes have in solution, due to their very indirect dependence on the geometric factors. PMID:18365039

  4. Applicability of the linear {delta} expansion for the {lambda}{phi}{sup 4} field theory at finite temperature in the symmetric and broken phases

    SciTech Connect

    Farias, R. L. S.; Ramos, Rudnei O.; Krein, G.

    2008-09-15

    The thermodynamics of a scalar field with a quartic interaction is studied within the linear {delta} expansion (LDE) method. Using the imaginary-time formalism the free energy is evaluated up to second order in the LDE. The method generates nonperturbative results that are then used to obtain thermodynamic quantities like the pressure. The phase transition pattern of the model is fully studied, from the broken to the symmetry restored phase. The results are compared with those obtained with other nonperturbative methods and also with ordinary perturbation theory. The results coming from the two main optimization procedures used in conjunction with the LDE method, the principle of minimal sensitivity (PMS) and the fastest apparent convergence (FAC) are also compared with each other and studied in which cases they are applicable or not. The optimization procedures are applied directly to the free energy.

  5. Synthesis and characterization of a series of transition metal complexes with a new symmetrical polyoxaaza macroacyclic Schiff base ligand: X-ray crystal structure of cobalt(II) and nickel(II) complexes and their antibacterial properties

    NASA Astrophysics Data System (ADS)

    Keypour, Hassan; Shayesteh, Maryam; Rezaeivala, Majid; Chalabian, Firoozeh; Valencia, Laura

    2013-01-01

    A new symmetrical [N4O2] hexadentate Schiff base ligand, (E)-N-(pyridin-2-ylmethylene)-2-(3-(2-((E)-pyridin-2-lmethyleneamino)phenoxy)naphthalen-2-yloxy)benzenamine, abbreviated to L, and its complexes of Ni(II), Cu(II), Zn(II), Co(II), Cd(II) and Mn(II) have been synthesized in the presence of metal ions. The complexes were structurally characterized by elemental analyses, IR, UV-Vis, NMR and molar conductivity. The crystal structures of two complexes, [NiL(ONO2)2]·2H2O and [CoLCl2]CH3OH·0.5H2O, have been determined by a single crystal X-ray diffraction study. In these complexes, the ligand is coordinated in a neutral form via pyridine and azomethine nitrogen atoms. The metal ions complete their six coordination with two coordinated nitrate or chloride ions, forming a distorted octahedral geometry. The synthesized compounds have antibacterial activity against the three Gram-positive bacteria: Enterococcus faecalis, Bacillus cereus and Staphylococcus epid and also against the three Gram-negative bacteria: Citrobacter freundii, Enterobacter aerogenes and Salmonella typhi. The activity data show that the complexes are more potent antibacterials than the parent Schiff base.

  6. Variational theory of complex rays applied to shell structures: in-plane inertia, quasi-symmetric ray distribution, and orthotropic materials

    NASA Astrophysics Data System (ADS)

    Cattabiani, Alessandro; Barbarulo, Andrea; Riou, Hervé; Ladevèze, Pierre

    2015-12-01

    Recently, interest of aerospace and automotive industries on medium-frequency vibrational behavior of composite shell structures has grown due to their high specific stiffness and fatigue resistance. Conventional methods such as the finite element method and the statistical energy analysis are not suitable for the medium-frequency bandwidth. Conversely, the variational theory of complex rays (VTCR) is taking place as an ad-hoc technique to tackle such frequency band. It is a Trefftz method based on a weak variational formulation. Equilibrium equations are met using exact solutions as shape functions. The variational problem imposes boundary conditions in weak form. The present paper extends VTCR to orthotropic shell structures. Moreover, several new enhancements are introduced. Now, we use a quasi-symmetric ray distribution which can greatly reduce computational costs, and addresses in-plane inertia which was neglected in previous works. Some relevant numerical examples are presented to show the strategy and results are compared with a FEM reference to study performances.

  7. Linear complexity integral-equation based methods for large-scale electromagnetic analysis

    NASA Astrophysics Data System (ADS)

    Chai, Wenwen

    In general, to solve problems with N parameters, the optimal computational complexity is linear complexity O( N). However, for most computational electromagnetic methods, the complexity is higher than O(N). In this work, we introduced and further developed the H - and H2 -matrix based mathematical framework to break the computational barrier of existing integral-equation (IE)-based methods for large-scale electromagnetic analysis. Our significant contributions include the first-time dense matrix inversion and LU factorization of O(N) complexity for large-scale 3-D circuit extraction and a fast direct integral equation solver that outperforms existing direct solvers for large-scale electrodynamic analysis having millions of unknowns and ˜100 wavelengths. The major contributions of this work are: (1) Direct Matrix Solution of Linear Complexity for 3-D Integrated Circuit (IC) and Package Extraction • O(N) complexity dense matrix inversion and LU factorization algorithms and their applications to capacitance extraction and impedance extraction of large-scale 3-D circuits • O(N) direct matrix solution of highly irregular matrices consisting of both dense and sparse matrix blocks arising from full-wave analysis of general 3-D circuits with lossy conductors in multiple dielectrics. (2) Fast H - and H2 -Based IE Solvers for Large-Scale Electrodynamic Analysis • theoretical proof on the error bounded low-rank representation of electrodynamic integral operators • fast H2 -based iterative solver with O(N) computational cost and controlled accuracy from small to tens of wavelengths • fast H -based direct solver with computational cost minimized based on accuracy • Findings on how to reduce the complexity of H - and H2 -based methods for electrodynamic analysis, which are also applicable to many other fast IE solvers. (3) Fast Algorithms for Accelerating H - and H2 -Based Iterative and Direct Solvers • Optimal H -based representation and its applications from

  8. Accurate dynamics in an azimuthally-symmetric accelerating cavity

    NASA Astrophysics Data System (ADS)

    Appleby, R. B.; Abell, D. T.

    2015-02-01

    We consider beam dynamics in azimuthally-symmetric accelerating cavities, using the EMMA FFAG cavity as an example. By fitting a vector potential to the field map, we represent the linear and non-linear dynamics using truncated power series and mixed-variable generating functions. The analysis provides an accurate model for particle trajectories in the cavity, reveals potentially significant and measurable effects on the dynamics, and shows differences between cavity focusing models. The approach provides a unified treatment of transverse and longitudinal motion, and facilitates detailed map-based studies of motion in complex machines like FFAGs.

  9. Waste management under multiple complexities: Inexact piecewise-linearization-based fuzzy flexible programming

    SciTech Connect

    Sun Wei; Huang, Guo H.; Lv Ying; Li Gongchen

    2012-06-15

    Highlights: Black-Right-Pointing-Pointer Inexact piecewise-linearization-based fuzzy flexible programming is proposed. Black-Right-Pointing-Pointer It's the first application to waste management under multiple complexities. Black-Right-Pointing-Pointer It tackles nonlinear economies-of-scale effects in interval-parameter constraints. Black-Right-Pointing-Pointer It estimates costs more accurately than the linear-regression-based model. Black-Right-Pointing-Pointer Uncertainties are decreased and more satisfactory interval solutions are obtained. - Abstract: To tackle nonlinear economies-of-scale (EOS) effects in interval-parameter constraints for a representative waste management problem, an inexact piecewise-linearization-based fuzzy flexible programming (IPFP) model is developed. In IPFP, interval parameters for waste amounts and transportation/operation costs can be quantified; aspiration levels for net system costs, as well as tolerance intervals for both capacities of waste treatment facilities and waste generation rates can be reflected; and the nonlinear EOS effects transformed from objective function to constraints can be approximated. An interactive algorithm is proposed for solving the IPFP model, which in nature is an interval-parameter mixed-integer quadratically constrained programming model. To demonstrate the IPFP's advantages, two alternative models are developed to compare their performances. One is a conventional linear-regression-based inexact fuzzy programming model (IPFP2) and the other is an IPFP model with all right-hand-sides of fussy constraints being the corresponding interval numbers (IPFP3). The comparison results between IPFP and IPFP2 indicate that the optimized waste amounts would have the similar patterns in both models. However, when dealing with EOS effects in constraints, the IPFP2 may underestimate the net system costs while the IPFP can estimate the costs more accurately. The comparison results between IPFP and IPFP3 indicate

  10. A Low-Complexity Bock Linear Smoothing Channel Estimation for SIMO-OFDM Systems without Cyclic Prefix

    NASA Astrophysics Data System (ADS)

    Yu, Jung-Lang; Chen, Chia-Hao

    Orthogonal frequency-division multiplexing (OFDM) systems often use a cyclic prefix (CP) to simplify the equalization design at the cost of bandwidth efficiency. To increase the bandwidth efficiency, we study the blind equalization with linear smoothing [1] for single-input multiple-output (SIMO) OFDM systems without CP insertion in this paper. Due to the block Toeplitz structure of channel matrix, the block matrix scheme is applied to the linear smoothing channel estimation, which equivalently increases the number of sample vectors and thus reduces the perturbation of sample autocorrelation matrix. Compared with the linear smoothing and subspace methods, the proposed block linear smoothing requires the lowest computational complexity. Computer simulations show that the block linear smoothing yields a channel estimation error smaller than that from linear smoothing, and close to that of the subspace method. Evaluating by the minimum mean-square error (MMSE) equalizer, the block linear smoothing and subspace methods have nearly the same bit-error-rates (BERs).

  11. Self-Assembly of Reactive Linear Cu3 Building Blocks for Supramolecular Coordination Chemistry and Their Reactivity toward E(n) Ligand Complexes.

    PubMed

    Fleischmann, Martin; Dütsch, Luis; Elsayed Moussa, Mehdi; Balázs, Gábor; Kremer, Werner; Lescop, Christophe; Scheer, Manfred

    2016-03-21

    This study describes the selective synthesis of linear, trinuclear, halide-bridged Cu(I) complexes [Cu3(μ-X)2(μ-dpmp)2(MeCN)2](+) (1a: X = Cl; 1b: X = Br; 1c: X = I) stabilized by the tridentate dpmp ligand obtained by self-assembly reactions in THF/MeCN. Upon drying, the MeCN ligands can be removed and the complexes are transformed to the reactive parent trinuclear [Cu3(μ-X)2(μ-dpmp)2](+) (2a-c) building blocks with two vacant coordination sites on the terminal Cu atoms. Another synthesis in CH2Cl2 directly yields 2a-c. Additionally, two related isomeric compounds, 2a* and 2c*, and two CH2Cl2-ligated complexes, [Cu3(μ-X)2(μ-dpmp)2(CH2Cl2)2](+) (X = Br (3b), I (3c)), were structurally characterized. The frameworks of the cationic [Cu3(μ-X)2(μ-dpmp)2](+) complexes are stable in solution at low temperatures and show dynamic coordination behavior at elevated temperatures, indicated by new signals arising in the (31)P{(1)H} NMR spectra. This evolution cannot be shifted back by decreasing the temperature again. However, cationic [Cu3(μ-X)2(μ-dpmp)2](+) (X = Cl, Br, I) complexes can be obtained selectively in the solid state upon crystallization. Although reactions of 2a-c with complexes [{CpMo(CO)2}2(μ,η(2):η(2)-E2)] (E = P (A1), As (A2)) led to unsymmetrically substituted [Cu3(μ-X)2(μ-dpmp)2(η(1)-L)](+) (4a-c: X = Cl-I, L = A1; 5: X = Cl, L = A2) complexes, reactions with the cyclo-P3 complex [CpMo(CO)2(η(3)-P3)] (B) afforded zigzag chain polymers [Cu3(μ-X)2(μ-dpmp)2(μ,η(1):η(1)-B)]n[BF4]n (6a: X = Cl; 6b: X = Br) and symmetrically substituted complex [Cu3(μ-I)2(μ-dpmp)2(η(1)-B)2](+) (7). Reactions of 2a-c with cyclo-E5 complexes [Cp*Fe(η(5)-E5)] (E = P (C1), As (C2)) led to the isolation of one-dimensional coordination polymers [Cu3(μ-X)2(μ-dpmp)2(μ,η(1):η(1)-L)]n[BF4]n (8a-b: X = Cl-Br, L = C1; 9: X = Cl, L = C2) and symmetrically substituted complex [Cu3(μ-I)2(μ-dpmp)2(η(1)-C1)2](+) (10). All products exhibit a trinuclear, cationic

  12. FORTRAN subroutines for out-of-core solutions of large complex linear systems

    NASA Technical Reports Server (NTRS)

    Yip, E. L.

    1979-01-01

    The design and usage of two main subprograms using direct methods to solve large linear complex systems, of the form Ax = b, whose coeffficient matrices are too large to be stored in core are described. The first main subprogram is for systems whose coefficient matrices are of a particular sparse structure, namely, the matrix A can be written in the form B + D, where B is a block-banded system, and D has only a few columns of nonzeros. Key elements of the algorithms used in the subprograms include: the data structure, the strategy for preserving numerical stability, the adaptability of the algorithms for dense systems as well as for block-profile systems.

  13. Complexity transitions in global algorithms for sparse linear systems over finite fields

    NASA Astrophysics Data System (ADS)

    Braunstein, A.; Leone, M.; Ricci-Tersenghi, F.; Zecchina, R.

    2002-09-01

    We study the computational complexity of a very basic problem, namely that of finding solutions to a very large set of random linear equations in a finite Galois field modulo q. Using tools from statistical mechanics we are able to identify phase transitions in the structure of the solution space and to connect them to the changes in the performance of a global algorithm, namely Gaussian elimination. Crossing phase boundaries produces a dramatic increase in memory and CPU requirements necessary for the algorithms. In turn, this causes the saturation of the upper bounds for the running time. We illustrate the results on the specific problem of integer factorization, which is of central interest for deciphering messages encrypted with the RSA cryptosystem.

  14. Two Dimensional Symmetric Correlation Functions of the S Operator and Two Dimensional Fourier Transforms: Considering the Line Coupling for P and R Lines of Linear Molecules

    NASA Technical Reports Server (NTRS)

    Ma, Q.; Boulet, C.; Tipping, R. H.

    2014-01-01

    The refinement of the Robert-Bonamy (RB) formalism by considering the line coupling for isotropic Raman Q lines of linear molecules developed in our previous study [Q. Ma, C. Boulet, and R. H. Tipping, J. Chem. Phys. 139, 034305 (2013)] has been extended to infrared P and R lines. In these calculations, the main task is to derive diagonal and off-diagonal matrix elements of the Liouville operator iS1 - S2 introduced in the formalism. When one considers the line coupling for isotropic Raman Q lines where their initial and final rotational quantum numbers are identical, the derivations of off-diagonal elements do not require extra correlation functions of the ^S operator and their Fourier transforms except for those used in deriving diagonal elements. In contrast, the derivations for infrared P and R lines become more difficult because they require a lot of new correlation functions and their Fourier transforms. By introducing two dimensional correlation functions labeled by two tensor ranks and making variable changes to become even functions, the derivations only require the latters' two dimensional Fourier transforms evaluated at two modulation frequencies characterizing the averaged energy gap and the frequency detuning between the two coupled transitions. With the coordinate representation, it is easy to accurately derive these two dimensional correlation functions. Meanwhile, by using the sampling theory one is able to effectively evaluate their two dimensional Fourier transforms. Thus, the obstacles in considering the line coupling for P and R lines have been overcome. Numerical calculations have been carried out for the half-widths of both the isotropic Raman Q lines and the infrared P and R lines of C2H2 broadened by N2. In comparison with values derived from the RB formalism, new calculated values are significantly reduced and become closer to measurements.

  15. Two dimensional symmetric correlation functions of the S-circumflex operator and two dimensional Fourier transforms: Considering the line coupling for P and R lines of linear molecules

    SciTech Connect

    Ma, Q.; Tipping, R. H.

    2014-03-14

    The refinement of the Robert-Bonamy (RB) formalism by considering the line coupling for isotropic Raman Q lines of linear molecules developed in our previous study [Q. Ma, C. Boulet, and R. H. Tipping, J. Chem. Phys. 139, 034305 (2013)] has been extended to infrared P and R lines. In these calculations, the main task is to derive diagonal and off-diagonal matrix elements of the Liouville operator iS{sub 1} − S{sub 2} introduced in the formalism. When one considers the line coupling for isotropic Raman Q lines where their initial and final rotational quantum numbers are identical, the derivations of off-diagonal elements do not require extra correlation functions of the S-circumflex operator and their Fourier transforms except for those used in deriving diagonal elements. In contrast, the derivations for infrared P and R lines become more difficult because they require a lot of new correlation functions and their Fourier transforms. By introducing two dimensional correlation functions labeled by two tensor ranks and making variable changes to become even functions, the derivations only require the latters’ two dimensional Fourier transforms evaluated at two modulation frequencies characterizing the averaged energy gap and the frequency detuning between the two coupled transitions. With the coordinate representation, it is easy to accurately derive these two dimensional correlation functions. Meanwhile, by using the sampling theory one is able to effectively evaluate their two dimensional Fourier transforms. Thus, the obstacles in considering the line coupling for P and R lines have been overcome. Numerical calculations have been carried out for the half-widths of both the isotropic Raman Q lines and the infrared P and R lines of C{sub 2}H{sub 2} broadened by N{sub 2}. In comparison with values derived from the RB formalism, new calculated values are significantly reduced and become closer to measurements.

  16. Symmetric Novikov superalgebras

    SciTech Connect

    Ayadi, Imen; Benayadi, Saied

    2010-02-15

    We study Novikov superalgebras with nondegenerate associative supersymmetric bilinear forms which are called symmetric Novikov superalgebras. We show that Novikov symmetric superalgebras are associative superalgebras with additional condition. Several examples of symmetric Novikov superalgebras are included, in particular, examples of symmetric Novikov superalgebras which are not 2-nilpotent. Finally, we introduce some notions of double extensions in order to give inductive descriptions of symmetric Novikov superalgebras.

  17. Probabilistic cloning of three symmetric states

    SciTech Connect

    Jimenez, O.; Bergou, J.; Delgado, A.

    2010-12-15

    We study the probabilistic cloning of three symmetric states. These states are defined by a single complex quantity, the inner product among them. We show that three different probabilistic cloning machines are necessary to optimally clone all possible families of three symmetric states. We also show that the optimal cloning probability of generating M copies out of one original can be cast as the quotient between the success probability of unambiguously discriminating one and M copies of symmetric states.

  18. A new ion mobility-linear ion trap instrument for complex mixture analysis.

    PubMed

    Donohoe, Gregory C; Maleki, Hossein; Arndt, James R; Khakinejad, Mahdiar; Yi, Jinghai; McBride, Carroll; Nurkiewicz, Timothy R; Valentine, Stephen J

    2014-08-19

    A new instrument that couples a low-pressure drift tube with a linear ion trap mass spectrometer is demonstrated for complex mixture analysis. The combination of the low-pressure separation with the ion trapping capabilities provides several benefits for complex mixture analysis. These include high sensitivity, unique ion fragmentation capabilities, and high reproducibility. Even though the gas-phase separation and the mass measurement steps are each conducted in an ion filtering mode, detection limits for mobility-selected peptide ions are in the tens of attomole range. In addition to ion separation, the low-pressure drift tube can be used as an ion fragmentation cell yielding mobility-resolved fragment ions that can be subsequently analyzed by multistage tandem mass spectrometry (MS(n)) methods in the ion trap. Because of the ion trap configuration, these methods can be comprised of any number (limited by ion signal) of collision-induced dissociation (CID) and electron transfer dissociation (ETD) processes. The high reproducibility of the gas-phase separation allows for comparison of two-dimensional ion mobility spectrometry (IMS)-MS data sets in a pixel-by-pixel fashion without the need for data set alignment. These advantages are presented in model analyses representing mixtures encountered in proteomics and metabolomics experiments. PMID:25068446

  19. Linear free energy relationship rate constants and basicities of N-substituted phenyl glycines in positronium-glycine complex formation

    NASA Astrophysics Data System (ADS)

    Chen, Rongti; Liang, Jiachang; Du, Youming; Cao, Chun; Yin, Dinzhen; Wang, Shuying; Zhang, Tianbao

    1987-06-01

    Complex formation between positronium and glycine derivatives in solution is discussed and the complex reaction rate constants obtained by means of a positron annihilation lifetime spectrometer with BaF 2 detectors. Rate constants mainly depend on the conjugation effect at the benzene ring and the induction effect of the substituents at the phenyl. There is a linear free energy relationship between rate constants and basicities of N-substituted phenyl glycines in orthopositronium-glycine complex formation.

  20. Synthesis and structures of niobium(V) complexes stabilized by linear-linked aryloxide trimers.

    PubMed

    Matsuo, Tsukasa; Kawaguchi, Hiroyuki

    2002-11-18

    The preparation and characterization of a series of niobium(V) complexes that incorporate the linear-linked aryloxide trimers 2,6-bis(4,6-dimethylsalicyl)-4-tert-butylphenol [H3(Me-L)] and 2,6-bis(4-methyl-6-tert-butylsalicyl)-4-tert-butylphenol [H3(tBu-L)] are described. The chloride complex [Nb(Me-L)Cl2]2 (1) was prepared in high yield by reaction of NbCl5 with H3(Me-L) in toluene. In contrast, the analogous reaction with H3(tBu-L) gave a mixture of [Nb(tBu-L)Cl2]2 (2) and [Nb(de-tBu-L)Cl2]2 (3a). During the formation of 3a, one of tert-butyl groups at the ortho position in the tBu-L ligand was lost. When the NbCl5/H3(tBu-L) reaction was carried out in acetonitrile, Nb[H(tBu-L)]Cl3(NCMe) (4) was obtained. Heating a solution of 4 in toluene generated 2 and 3a. The isolated complex 4 underwent ligand redistribution in acetonitrile to produce Nb[H(tBu-L)]2Cl(NCMe) (5). Treatment of NbCl5 with Li3(tBu-L) in toluene afforded 2. The chloride ligands in 1 and 2 smoothly reacted with 4 equiv of MeMgI and LiStBu, resulting in [Nb(R-L)Me2]2 [R = Me (6), tBu (7)] and Nb(Me-L)(StBu)2 (8), respectively. A number of the above complexes have been characterized by X-ray crystallography. In the structures of 1, 2, and 6, the R-L ligand is bound to the metal center with a U-coordination mode, while an alternative S-conformation is adopted for 3a and 8. Complexes 4 and 5 contain a bidentate H(tBu-L) diphenoxide-monophenol ligand. PMID:12425637

  1. Waste management under multiple complexities: inexact piecewise-linearization-based fuzzy flexible programming.

    PubMed

    Sun, Wei; Huang, Guo H; Lv, Ying; Li, Gongchen

    2012-06-01

    To tackle nonlinear economies-of-scale (EOS) effects in interval-parameter constraints for a representative waste management problem, an inexact piecewise-linearization-based fuzzy flexible programming (IPFP) model is developed. In IPFP, interval parameters for waste amounts and transportation/operation costs can be quantified; aspiration levels for net system costs, as well as tolerance intervals for both capacities of waste treatment facilities and waste generation rates can be reflected; and the nonlinear EOS effects transformed from objective function to constraints can be approximated. An interactive algorithm is proposed for solving the IPFP model, which in nature is an interval-parameter mixed-integer quadratically constrained programming model. To demonstrate the IPFP's advantages, two alternative models are developed to compare their performances. One is a conventional linear-regression-based inexact fuzzy programming model (IPFP2) and the other is an IPFP model with all right-hand-sides of fussy constraints being the corresponding interval numbers (IPFP3). The comparison results between IPFP and IPFP2 indicate that the optimized waste amounts would have the similar patterns in both models. However, when dealing with EOS effects in constraints, the IPFP2 may underestimate the net system costs while the IPFP can estimate the costs more accurately. The comparison results between IPFP and IPFP3 indicate that their solutions would be significantly different. The decreased system uncertainties in IPFP's solutions demonstrate its effectiveness for providing more satisfactory interval solutions than IPFP3. Following its first application to waste management, the IPFP can be potentially applied to other environmental problems under multiple complexities. PMID:22370050

  2. Diffusion of the Linear CH3S-Au-SCH3 Complex on Au(111) from First Principles

    SciTech Connect

    Jiang, Deen; Dai, Sheng

    2009-01-01

    Recent experimental and computational advances have clearly established the importance of the linear alkylthiolate-Au-alkylthiolate (RS-Au-SR) complex at the interface between the thiolate groups and the gold surface. By using density functional theory-based first principles method, here we show that the elementary diffusion step of this linear complex on Au(111) has a barrier of only {approx}0.5 eV in the case of methylthiolate, indicating great mobility of the linear complex on Au(111). The role of this low barrier in the formation of a self-assembled monolayer of thiolate groups in the form of RS-Au-SR on Au(111) is discussed.

  3. T-matrix modeling of linear depolarization by morphologically complex soot and soot-containing aerosols

    NASA Astrophysics Data System (ADS)

    Mishchenko, Michael I.; Liu, Li; Mackowski, Daniel W.

    2013-07-01

    We use state-of-the-art public-domain Fortran codes based on the T-matrix method to calculate orientation and ensemble averaged scattering matrix elements for a variety of morphologically complex black carbon (BC) and BC-containing aerosol particles, with a special emphasis on the linear depolarization ratio (LDR). We explain theoretically the quasi-Rayleigh LDR peak at side-scattering angles typical of low-density soot fractals and conclude that the measurement of this feature enables one to evaluate the compactness state of BC clusters and trace the evolution of low-density fluffy fractals into densely packed aggregates. We show that small backscattering LDRs measured with ground-based, airborne, and spaceborne lidars for fresh smoke generally agree with the values predicted theoretically for fluffy BC fractals and densely packed near-spheroidal BC aggregates. To reproduce higher lidar LDRs observed for aged smoke, one needs alternative particle models such as shape mixtures of BC spheroids or cylinders.

  4. Optimal actuator and sensor placement in the linearized complex Ginzburg-Landau system

    NASA Astrophysics Data System (ADS)

    Chen, Kevin; Rowley, Clarence

    2010-11-01

    The linearized complex Ginzburg-Landau equation is a model for the evolution of small fluid perturbations, such as in a bluff body wake. We control this system by implementing actuators and sensors and designing an H2-optimal controller. We seek the optimal actuator and sensor placement that minimizes the H2 norm of the controlled system, from flow disturbances to a cost on the perturbation and input magnitude. We formulate the gradient of the H2 squared norm with respect to actuator and sensor positions, and iterate toward the optimal position. With a single actuator and sensor, it is optimal to place the actuator just upstream of the origin (e.g., the bluff body object) and the sensor just downstream. With multiple but an equal number of actuators and sensors, it is optimal to arrange them in pairs, placing actuators slightly upstream of sensors, and scattering pairs throughout the spatial domain. Global mode and Gramian analyses fail to predict the optimal placement; they produce H2 norms about five times higher than at the true optimum. A wave maker formulation is better able to guess an initial condition for the iterator.

  5. T-Matrix Modeling of Linear Depolarization by Morphologically Complex Soot and Soot-Containing Aerosols

    NASA Technical Reports Server (NTRS)

    Mishchenko, Michael I.; Liu, Li; Mackowski, Daniel W.

    2013-01-01

    We use state-of-the-art public-domain Fortran codes based on the T-matrix method to calculate orientation and ensemble averaged scattering matrix elements for a variety of morphologically complex black carbon (BC) and BC-containing aerosol particles, with a special emphasis on the linear depolarization ratio (LDR). We explain theoretically the quasi-Rayleigh LDR peak at side-scattering angles typical of low-density soot fractals and conclude that the measurement of this feature enables one to evaluate the compactness state of BC clusters and trace the evolution of low-density fluffy fractals into densely packed aggregates. We show that small backscattering LDRs measured with groundbased, airborne, and spaceborne lidars for fresh smoke generally agree with the values predicted theoretically for fluffy BC fractals and densely packed near-spheroidal BC aggregates. To reproduce higher lidar LDRs observed for aged smoke, one needs alternative particle models such as shape mixtures of BC spheroids or cylinders.

  6. The linear and non-linear characterization of dust ion acoustic mode in complex plasma in presence of dynamical charging of dust

    NASA Astrophysics Data System (ADS)

    Bhattacharjee, Saurav; Das, Nilakshi

    2015-10-01

    A systematic theoretical investigation has been carried out on the role of dust charging dynamics on the nature and stability of DIA (Dust Ion Acoustic) mode in complex plasma. The study has been made for both linear and non-linear scale regime of DIA mode. The observed results have been characterized in terms of background plasma responses towards dust surface responsible for dust charge fluctuation, invoking important dusty plasma parameters, especially the ion flow speed and dust size. The linear analyses confirm the nature of instability in DIA mode in presence of dust charge fluctuation. The instability shows a damping of DIA mode in subsonic flow regime followed by a gradual growth in instability in supersonic limit of ion flow. The strength of non-linearity and their existence domain is found to be driven by different dusty plasma parameters. As dust is ubiquitous in interstellar medium with plasma background, the study also addresses the possible effect of dust charging dynamics in gravito-electrostatic characterization and the stability of dust molecular clouds especially in proto-planetary disc. The observations are influential and interesting towards the understanding of dust settling mechanism and formation of dust environments in different regions in space.

  7. The linear and non-linear characterization of dust ion acoustic mode in complex plasma in presence of dynamical charging of dust

    SciTech Connect

    Bhattacharjee, Saurav Das, Nilakshi

    2015-10-15

    A systematic theoretical investigation has been carried out on the role of dust charging dynamics on the nature and stability of DIA (Dust Ion Acoustic) mode in complex plasma. The study has been made for both linear and non-linear scale regime of DIA mode. The observed results have been characterized in terms of background plasma responses towards dust surface responsible for dust charge fluctuation, invoking important dusty plasma parameters, especially the ion flow speed and dust size. The linear analyses confirm the nature of instability in DIA mode in presence of dust charge fluctuation. The instability shows a damping of DIA mode in subsonic flow regime followed by a gradual growth in instability in supersonic limit of ion flow. The strength of non-linearity and their existence domain is found to be driven by different dusty plasma parameters. As dust is ubiquitous in interstellar medium with plasma background, the study also addresses the possible effect of dust charging dynamics in gravito-electrostatic characterization and the stability of dust molecular clouds especially in proto-planetary disc. The observations are influential and interesting towards the understanding of dust settling mechanism and formation of dust environments in different regions in space.

  8. Optimal symmetric flight studies

    NASA Technical Reports Server (NTRS)

    Weston, A. R.; Menon, P. K. A.; Bilimoria, K. D.; Cliff, E. M.; Kelley, H. J.

    1985-01-01

    Several topics in optimal symmetric flight of airbreathing vehicles are examined. In one study, an approximation scheme designed for onboard real-time energy management of climb-dash is developed and calculations for a high-performance aircraft presented. In another, a vehicle model intermediate in complexity between energy and point-mass models is explored and some quirks in optimal flight characteristics peculiar to the model uncovered. In yet another study, energy-modelling procedures are re-examined with a view to stretching the range of validity of zeroth-order approximation by special choice of state variables. In a final study, time-fuel tradeoffs in cruise-dash are examined for the consequences of nonconvexities appearing in the classical steady cruise-dash model. Two appendices provide retrospective looks at two early publications on energy modelling and related optimal control theory.

  9. Modifications to Axially Symmetric Simulations Using New DSMC (2007) Algorithms

    NASA Technical Reports Server (NTRS)

    Liechty, Derek S.

    2008-01-01

    Several modifications aimed at improving physical accuracy are proposed for solving axially symmetric problems building on the DSMC (2007) algorithms introduced by Bird. Originally developed to solve nonequilibrium, rarefied flows, the DSMC method is now regularly used to solve complex problems over a wide range of Knudsen numbers. These new algorithms include features such as nearest neighbor collisions excluding the previous collision partners, separate collision and sampling cells, automatically adaptive variable time steps, a modified no-time counter procedure for collisions, and discontinuous and event-driven physical processes. Axially symmetric solutions require radial weighting for the simulated molecules since the molecules near the axis represent fewer real molecules than those farther away from the axis due to the difference in volume of the cells. In the present methodology, these radial weighting factors are continuous, linear functions that vary with the radial position of each simulated molecule. It is shown that how one defines the number of tentative collisions greatly influences the mean collision time near the axis. The method by which the grid is treated for axially symmetric problems also plays an important role near the axis, especially for scalar pressure. A new method to treat how the molecules are traced through the grid is proposed to alleviate the decrease in scalar pressure at the axis near the surface. Also, a modification to the duplication buffer is proposed to vary the duplicated molecular velocities while retaining the molecular kinetic energy and axially symmetric nature of the problem.

  10. Two-dimensional linear modes and solitons in parity-time symmetry bessel complex-valued potential

    NASA Astrophysics Data System (ADS)

    Chen, Haibo; Hu, Sumei

    2015-11-01

    We study the optical properties of two-dimensional linear modes and solitons in parity-time (PT) symmetry Bessel complex-valued potential. The PT-breaking points, the eigenvalues and eigenfunction for different modulated depths of two-dimensional PT symmetry Bessel complex potential are obtained numerically. The PT-breaking points increase linearly with increasing the real part of the modulated depths of PT potential. The existence of fundamental and dipole solitons are studied in self-focusing and self-defocusing media. The eigenvalue for linear case is equal to the critical propagation constant bc of the existing soliton. The fundamental solitons are stable in both the self-focusing and self-defocusing media, and the dipole solitons are stable in the self-defocusing media but unstable in the self-focusing media.

  11. A linear S-bridged trinuclear cobalt(III) complex with 2-aminobenzenethiol: Synthesis, crystal structure, and spectroscopic characterization.

    PubMed

    Panja, Anangamohan; Moore, Curtis E; Eichhorn, David M

    2013-01-01

    Treatment of cobalt(II) perchlorate hexahydrate with 2 molar equiv. of 2-aminobenzenethiol (Habt) in acetonitrile afforded a tricationic tricobalt complex, [Co{Co(abt)3}2](ClO4)3·2CH3CN, by aerial oxidation. The molecular structure of the meso (ΔΛ) form of the complex was determined by X-ray crystallography. In the complex cation, the central Co is coordinated by six thiolate groups from two terminal fac(S)-[Co(abt)3] units in an octahedral geometry, forming a linear S-bridged tricobalt structure. PMID:24465064

  12. Meta-analysis of Complex Diseases at Gene Level with Generalized Functional Linear Models.

    PubMed

    Fan, Ruzong; Wang, Yifan; Chiu, Chi-Yang; Chen, Wei; Ren, Haobo; Li, Yun; Boehnke, Michael; Amos, Christopher I; Moore, Jason H; Xiong, Momiao

    2016-02-01

    We developed generalized functional linear models (GFLMs) to perform a meta-analysis of multiple case-control studies to evaluate the relationship of genetic data to dichotomous traits adjusting for covariates. Unlike the previously developed meta-analysis for sequence kernel association tests (MetaSKATs), which are based on mixed-effect models to make the contributions of major gene loci random, GFLMs are fixed models; i.e., genetic effects of multiple genetic variants are fixed. Based on GFLMs, we developed chi-squared-distributed Rao's efficient score test and likelihood-ratio test (LRT) statistics to test for an association between a complex dichotomous trait and multiple genetic variants. We then performed extensive simulations to evaluate the empirical type I error rates and power performance of the proposed tests. The Rao's efficient score test statistics of GFLMs are very conservative and have higher power than MetaSKATs when some causal variants are rare and some are common. When the causal variants are all rare [i.e., minor allele frequencies (MAF) < 0.03], the Rao's efficient score test statistics have similar or slightly lower power than MetaSKATs. The LRT statistics generate accurate type I error rates for homogeneous genetic-effect models and may inflate type I error rates for heterogeneous genetic-effect models owing to the large numbers of degrees of freedom and have similar or slightly higher power than the Rao's efficient score test statistics. GFLMs were applied to analyze genetic data of 22 gene regions of type 2 diabetes data from a meta-analysis of eight European studies and detected significant association for 18 genes (P < 3.10 × 10(-6)), tentative association for 2 genes (HHEX and HMGA2; P ≈ 10(-5)), and no association for 2 genes, while MetaSKATs detected none. In addition, the traditional additive-effect model detects association at gene HHEX. GFLMs and related tests can analyze rare or common variants or a combination of the two and

  13. Conformally symmetric traversable wormholes

    SciTech Connect

    Boehmer, Christian G.; Harko, Tiberiu; Lobo, Francisco S. N.

    2007-10-15

    Exact solutions of traversable wormholes are found under the assumption of spherical symmetry and the existence of a nonstatic conformal symmetry, which presents a more systematic approach in searching for exact wormhole solutions. In this work, a wide variety of solutions are deduced by considering choices for the form function, a specific linear equation of state relating the energy density and the pressure anisotropy, and various phantom wormhole geometries are explored. A large class of solutions impose that the spatial distribution of the exotic matter is restricted to the throat neighborhood, with a cutoff of the stress-energy tensor at a finite junction interface, although asymptotically flat exact solutions are also found. Using the 'volume integral quantifier', it is found that the conformally symmetric phantom wormhole geometries may, in principle, be constructed by infinitesimally small amounts of averaged null energy condition violating matter. Considering the tidal acceleration traversability conditions for the phantom wormhole geometry, specific wormhole dimensions and the traversal velocity are also deduced.

  14. Transmission of linear regression patterns between time series: From relationship in time series to complex networks

    NASA Astrophysics Data System (ADS)

    Gao, Xiangyun; An, Haizhong; Fang, Wei; Huang, Xuan; Li, Huajiao; Zhong, Weiqiong; Ding, Yinghui

    2014-07-01

    The linear regression parameters between two time series can be different under different lengths of observation period. If we study the whole period by the sliding window of a short period, the change of the linear regression parameters is a process of dynamic transmission over time. We tackle fundamental research that presents a simple and efficient computational scheme: a linear regression patterns transmission algorithm, which transforms linear regression patterns into directed and weighted networks. The linear regression patterns (nodes) are defined by the combination of intervals of the linear regression parameters and the results of the significance testing under different sizes of the sliding window. The transmissions between adjacent patterns are defined as edges, and the weights of the edges are the frequency of the transmissions. The major patterns, the distance, and the medium in the process of the transmission can be captured. The statistical results of weighted out-degree and betweenness centrality are mapped on timelines, which shows the features of the distribution of the results. Many measurements in different areas that involve two related time series variables could take advantage of this algorithm to characterize the dynamic relationships between the time series from a new perspective.

  15. PT-symmetric quantum theory

    NASA Astrophysics Data System (ADS)

    Bender, Carl M.

    2015-07-01

    The average quantum physicist on the street would say that a quantum-mechanical Hamiltonian must be Dirac Hermitian (invariant under combined matrix transposition and complex conjugation) in order to guarantee that the energy eigenvalues are real and that time evolution is unitary. However, the Hamiltonian H = p2 + ix3, which is obviously not Dirac Hermitian, has a positive real discrete spectrum and generates unitary time evolution, and thus it defines a fully consistent and physical quantum theory. Evidently, the axiom of Dirac Hermiticity is too restrictive. While H = p2 + ix3 is not Dirac Hermitian, it is PT symmetric; that is, invariant under combined parity P (space reflection) and time reversal T. The quantum mechanics defined by a PT-symmetric Hamiltonian is a complex generalization of ordinary quantum mechanics. When quantum mechanics is extended into the complex domain, new kinds of theories having strange and remarkable properties emerge. In the past few years, some of these properties have been verified in laboratory experiments. A particularly interesting PT-symmetric Hamiltonian is H = p2 - x4, which contains an upside-down potential. This potential is discussed in detail, and it is explained in intuitive as well as in rigorous terms why the energy levels of this potential are real, positive, and discrete. Applications of PT-symmetry in quantum field theory are also discussed.

  16. Discovery of a complex linearly polarized spectrum of Betelgeuse dominated by depolarization of the continuum

    NASA Astrophysics Data System (ADS)

    Aurière, M.; López Ariste, A.; Mathias, P.; Lèbre, A.; Josselin, E.; Montargès, M.; Petit, P.; Chiavassa, A.; Paletou, F.; Fabas, N.; Konstantinova-Antova, R.; Donati, J.-F.; Grunhut, J. H.; Wade, G. A.; Herpin, F.; Kervella, P.; Perrin, G.; Tessore, B.

    2016-06-01

    Context. Betelgeuse is an M supergiant that harbors spots and giant granules at its surface and presents linear polarization of its continuum. Aims: We have previously discovered linear polarization signatures associated with individual lines in the spectra of cool and evolved stars. Here, we investigate whether a similar linearly polarized spectrum exists for Betelgeuse. Methods: We used the spectropolarimeter Narval, combining multiple polarimetric sequences to obtain high signal-to-noise ratio spectra of individual lines, as well as the least-squares deconvolution (LSD) approach, to investigate the presence of an averaged linearly polarized profile for the photospheric lines. Results: We have discovered the existence of a linearly polarized spectrum for Betelgeuse, detecting a rather strong signal (at a few times 10-4 of the continuum intensity level), both in individual lines and in the LSD profiles. Studying its properties and the signal observed for the resonant Na i D lines, we conclude that we are mainly observing depolarization of the continuum by the absorption lines. The linear polarization of the Betelgeuse continuum is due to the anisotropy of the radiation field induced by brightness spots at the surface and Rayleigh scattering in the atmosphere. We have developed a geometrical model to interpret the observed polarization, from which we infer the presence of two brightness spots and their positions on the surface of Betelgeuse. We show that applying the model to each velocity bin along the Stokes Q and U profiles allows the derivation of a map of the bright spots. We use the Narval linear polarization observations of Betelgeuse obtained over a period of 1.4 yr to study the evolution of the spots and of the atmosphere. Conclusions: Our study of the linearly polarized spectrum of Betelgeuse provides a novel method for studying the evolution of brightness spots at its surface and complements quasi-simultaneous observations obtained with PIONIER at the

  17. Shear banding and complex non-linear dynamics in microscopically `informed' models for wormlike micelles (and other complex fluids)

    NASA Astrophysics Data System (ADS)

    Olmsted, Peter

    2004-03-01

    "Shear banding", i.e. flow-induced macroscopic "phase coexistence" or apparent "phase transitions", has been observed in many complex fluids, including wormlike micelles, lamellar systems, associating polymers, and liquid crystals. In this talk I will review this behavior, and discuss a general phenomenology for understanding shear banding and flow-induced phase separation in complex fluids, at a "thermodynamic" level (as opposed to a "statistical mechanics" level). An accurate theory must include the relevant microstructural order parameters, and construct the fully coupled spatially-dependent hydrodynamic equations of motion. Although this has been successfully done for very few model fluids, we can nonetheless obtain general rules for the "phase behavior". Perhaps surprisingly, the interface between coexisting phases plays a crucial role in determining the steady state behavior, and is much more important than its equilibrium counterpart. I will discuss recent work addressed at the kinetics and morphology of wormlike micellar solutions, and touch on models for more complex oscillatory and possibly chaotic systems.

  18. Estimation of Complex Generalized Linear Mixed Models for Measurement and Growth

    ERIC Educational Resources Information Center

    Jeon, Minjeong

    2012-01-01

    Maximum likelihood (ML) estimation of generalized linear mixed models (GLMMs) is technically challenging because of the intractable likelihoods that involve high dimensional integrations over random effects. The problem is magnified when the random effects have a crossed design and thus the data cannot be reduced to small independent clusters. A…

  19. Inhibiting complex IL-17A and IL-17RA interactions with a linear peptide

    PubMed Central

    Liu, Shenping; Desharnais, Joel; Sahasrabudhe, Parag V.; Jin, Ping; Li, Wei; Oates, Bryan D.; Shanker, Suman; Banker, Mary Ellen; Chrunyk, Boris A.; Song, Xi; Feng, Xidong; Griffor, Matt; Jimenez, Judith; Chen, Gang; Tumelty, David; Bhat, Abhijit; Bradshaw, Curt W.; Woodnutt, Gary; Lappe, Rodney W.; Thorarensen, Atli; Qiu, Xiayang; Withka, Jane M.; Wood, Lauren D.

    2016-01-01

    IL-17A is a pro-inflammatory cytokine that has been implicated in autoimmune and inflammatory diseases. Monoclonal antibodies inhibiting IL-17A signaling have demonstrated remarkable efficacy, but an oral therapy is still lacking. A high affinity IL-17A peptide antagonist (HAP) of 15 residues was identified through phage-display screening followed by saturation mutagenesis optimization and amino acid substitutions. HAP binds specifically to IL-17A and inhibits the interaction of the cytokine with its receptor, IL-17RA. Tested in primary human cells, HAP blocked the production of multiple inflammatory cytokines. Crystal structure studies revealed that two HAP molecules bind to one IL-17A dimer symmetrically. The N-terminal portions of HAP form a β-strand that inserts between two IL-17A monomers while the C-terminal section forms an α helix that directly blocks IL-17RA from binding to the same region of IL-17A. This mode of inhibition suggests opportunities for developing peptide antagonists against this challenging target. PMID:27184415

  20. Inhibiting complex IL-17A and IL-17RA interactions with a linear peptide.

    PubMed

    Liu, Shenping; Desharnais, Joel; Sahasrabudhe, Parag V; Jin, Ping; Li, Wei; Oates, Bryan D; Shanker, Suman; Banker, Mary Ellen; Chrunyk, Boris A; Song, Xi; Feng, Xidong; Griffor, Matt; Jimenez, Judith; Chen, Gang; Tumelty, David; Bhat, Abhijit; Bradshaw, Curt W; Woodnutt, Gary; Lappe, Rodney W; Thorarensen, Atli; Qiu, Xiayang; Withka, Jane M; Wood, Lauren D

    2016-01-01

    IL-17A is a pro-inflammatory cytokine that has been implicated in autoimmune and inflammatory diseases. Monoclonal antibodies inhibiting IL-17A signaling have demonstrated remarkable efficacy, but an oral therapy is still lacking. A high affinity IL-17A peptide antagonist (HAP) of 15 residues was identified through phage-display screening followed by saturation mutagenesis optimization and amino acid substitutions. HAP binds specifically to IL-17A and inhibits the interaction of the cytokine with its receptor, IL-17RA. Tested in primary human cells, HAP blocked the production of multiple inflammatory cytokines. Crystal structure studies revealed that two HAP molecules bind to one IL-17A dimer symmetrically. The N-terminal portions of HAP form a β-strand that inserts between two IL-17A monomers while the C-terminal section forms an α helix that directly blocks IL-17RA from binding to the same region of IL-17A. This mode of inhibition suggests opportunities for developing peptide antagonists against this challenging target. PMID:27184415

  1. Three-dimensional forward modelling and inversion of complex resistivity based on the improved quasi-linear approximation

    NASA Astrophysics Data System (ADS)

    Liu, Y.; Li, T.; Zhu, C.; Zhang, R.; Wu, Y.

    2015-12-01

    Three-dimensional (3-D) electromagnetic (EM) forward modelling and inversion continues to be an important issue for the correct interpretation of EM data.To this end,approximate solutions have been developed that allow the construction of relatively fast forward modelling and inversion schemes.We have developed an improved quasi-linear approximation which is more appropriate in solving the linear equation for greatly shortening calculation time.We achieved this by using green's function properties.Then we introduced the improved quasi-linear approximation to spectral induced polarization (SIP) to tackle the problem of the resolution and the efficiency.The localized quasi-linear (LQL) approximation theory is appropriate for multisource array-type surveys assuming that the normal field is slowly varying within the inhomogeneity domain.However,the normal field of attenuates severely which dose not satisfy the assumption of the LQL approximation.As a consenquence,the imaginary part is not accurate when LQL approximation is adopted for the simulation.The improved quasi-linear approximation provide a new approach with the same resolution of QL approximation and much less calculation time.We have also constructed three-dimensional SIP forward modeling based on improved quasi-linear approximation method.It only takes 0.8s for forward modeling when inhomogeneity domain is divided into 2000 blocks.Beyond that, we have introduced the Cole-Cole model to the algorithm and complete the three-dimensional complex resistivity conjugate gradient inversion with parameter restraint.The model trial results show that this method can obtain good inversion results in physical parameters such as zero frequency resistivity, polarization.The results demonstrate the stability and the efficiency of the improved quasi-linear approximation and the method may be a practical solution for3-D EM forward modelling and inversion of SIP.

  2. Viscosity in spherically symmetric accretion

    NASA Astrophysics Data System (ADS)

    Ray, Arnab K.

    2003-10-01

    The influence of viscosity on the flow behaviour in spherically symmetric accretion has been studied here. The governing equation chosen has been the Navier-Stokes equation. It has been found that at least for the transonic solution, viscosity acts as a mechanism that detracts from the effectiveness of gravity. This has been conjectured to set up a limiting scale of length for gravity to bring about accretion, and the physical interpretation of such a length scale has been compared with the conventional understanding of the so-called `accretion radius' for spherically symmetric accretion. For a perturbative presence of viscosity, it has also been pointed out that the critical points for inflows and outflows are not identical, which is a consequence of the fact that under the Navier-Stokes prescription, there is a breakdown of the invariance of the stationary inflow and outflow solutions - an invariance that holds good under inviscid conditions. For inflows, the critical point gets shifted deeper within the gravitational potential well. Finally, a linear stability analysis of the stationary inflow solutions, under the influence of a perturbation that is in the nature of a standing wave, has indicated that the presence of viscosity induces greater stability in the system than has been seen for the case of inviscid spherically symmetric inflows.

  3. Chiral formulation for hyperKähler sigma-models on cotangent bundles of symmetric spaces

    NASA Astrophysics Data System (ADS)

    Kuzenko, Sergei M.; Novak, Joseph

    2008-12-01

    Starting with the projective-superspace off-shell formulation for four-dimensional Script N = 2 supersymmetric sigma-models on cotangent bundles of arbitrary Hermitian symmetric spaces, their on-shell description in terms of Script N = 1 chiral superfields is developed. In particular, we derive a universal representation for the hyperkähler potential in terms of the curvature of the symmetric base space. Within the tangent-bundle formulation for such sigma-models, completed recently in arXiv:0709.2633 and realized in terms of Script N = 1 chiral and complex linear superfields, we give a new universal formula for the superspace Lagrangian. A closed form expression is also derived for the Kähler potential of an arbitrary Hermitian symmetric space in Kähler normal coordinates.

  4. Communication: A reduced-space algorithm for the solution of the complex linear response equations used in coupled cluster damped response theory

    NASA Astrophysics Data System (ADS)

    Kauczor, Joanna; Norman, Patrick; Christiansen, Ove; Coriani, Sonia

    2013-12-01

    We present a reduced-space algorithm for solving the complex (damped) linear response equations required to compute the complex linear response function for the hierarchy of methods: coupled cluster singles, coupled cluster singles and iterative approximate doubles, and coupled cluster singles and doubles. The solver is the keystone element for the development of damped coupled cluster response methods for linear and nonlinear effects in resonant frequency regions.

  5. Complexity of visual stimuli and non-linear EEG dynamics in humans.

    PubMed

    Müller, Viktor; Lutzenberger, Werner; Preissl, Hubert; Pulvermüller, Friedemann; Birbaumer, Niels

    2003-03-01

    The effects of stimulus complexity on the nonlinear electrical brain (EEG) dynamics were investigated in a sample of 24 healthy volunteers. Stimuli used were either a single mechanical low-friction pendulum with a periodic movement (temporal frequency about 1 Hz) or a double-pendulum with a chaotic movement, which were observed for 2-3 min in each case. The prediction that a more complex visual stimulus (double-pendulum) increases the dimensional complexity of brain activity as compared to a simple visual stimulus (single-pendulum), was confirmed by determination of pointwise correlation dimension. Further, there was a significant decrease of alpha power in the double-pendulum compared to a single-pendulum condition. Moreover, a correlation analysis showed a positive correlation between EEG complexity and beta power over the whole cortex in the single- and, above all, in the double-pendulum condition, and also a positive correlation between dimensional complexity and alpha power in the double-pendulum condition only, particularly in the brain regions responsible for the 'bottom-up' sustained attention processes. PMID:12589895

  6. Predictive non-linear modeling of complex data by artificial neural networks.

    PubMed

    Almeida, Jonas S

    2002-02-01

    An artificial neural network (ANN) is an artificial intelligence tool that identifies arbitrary nonlinear multiparametric discriminant functions directly from experimental data. The use of ANNs has gained increasing popularity for applications where a mechanistic description of the dependency between dependent and independent variables is either unknown or very complex. This machine learning technique can be roughly described as a universal algebraic function that will distinguish signal from noise directly from experimental data. The application of ANNs to complex relationships makes them highly attractive for the study of biological systems. Recent applications include the analysis of expression profiles and genomic and proteomic sequences. PMID:11849962

  7. Multi-Linear Strategies for (Re)Presenting the Complexity of Young People in Research

    ERIC Educational Resources Information Center

    Ryan, Mary Elizabeth

    2010-01-01

    Within the current climate of unpredictability and constant change, young people at school are faced with a multitude of choices and contradictory influences. In this article, I argue that (re)presentations of young people in youth research need to reflect the complexity and multiplicity of their lives and changing priorities, and I attempt to…

  8. Symmetric continued fractions

    SciTech Connect

    Panprasitwech, Oranit; Laohakosol, Vichian; Chaichana, Tuangrat

    2010-11-11

    Explicit formulae for continued fractions with symmetric patterns in their partial quotients are constructed in the field of formal power series. Similar to the work of Cohn in 1996, which generalized the so-called folding lemma to {kappa}-fold symmetry, the notion of {kappa}-duplicating symmetric continued fractions is investigated using a modification of the 1995 technique due to Clemens, Merrill and Roeder.

  9. Our Expedition in Linear Neutral Platinum-Acetylide Complexes: The Preparation of Micro/nanostructure Materials, Complicated Topologies, and Dye-Sensitized Solar Cells.

    PubMed

    Xu, Lin; Yang, Hai-Bo

    2016-06-01

    During the past few decades, the construction of various kinds of platinum-acetylide complexes has attracted considerable attention, because of their wide applications in photovoltaic cells, non-linear optics, and bio-imaging materials. Among these platinum-acetylide complexes, the linear neutral platinum-acetylide complexes, due to their attractive properties, such as well-defined linear geometry, synthetic accessibility, and intriguing photoproperties, have emerged as a rising star in this field. In this personal account, we will discuss how we entered the field of linear neutral platinum-acetylide chemistry and what we found in this field. The preparation of various types of linear neutral platinum-acetylide complexes and their applications in the areas of micro/nanostructure materials, complicated topologies, and dye-sensitized solar cells will be summarized in this account. PMID:27097565

  10. Synthesis, spectroscopic, antimicrobial, DNA binding and cleavage studies of some metal complexes involving symmetrical bidentate N, N donor Schiff base ligand

    NASA Astrophysics Data System (ADS)

    Arish, D.; Nair, M. Sivasankaran

    2011-11-01

    The Schiff base ligand, N, N'-bis-(4-isopropylbenzaldimine)-1,2-diaminoethane (L), obtained by the condensation of 4-isopropylbenzaldehyde and 1,2-diaminoethane, has been used to synthesize the complexes of the type [ML 2X 2] [M = Co(II), Ni(II) and Zn(II); X = Cl and OAc]. The newly synthesized ligand (L) and its complexes have been characterized on the basis of elemental analyses, mass, 1H and 13C-NMR, molar conductance, IR, UV-vis, magnetic moment, CV and thermal analyses, powder XRD and SEM. IR spectral data show that the ligand is coordinated to the metal ions in a bidentate manner. The geometrical structures of these complexes are found to be octahedral. Interestingly, reaction with Cu(II) ion with this ligand undergoes hydrolytic cleavage to form ethylenediamine copper(II) complex and the corresponding aldehyde. The antimicrobial results indicate that the chloro complexes exhibit more activity than the acetato complexes. The complexes bind to CT-DNA by intercalation modes. Novel chloroform soluble ZnL 2Cl 2 complex exhibits tremendous antimicrobial, DNA binding and cleaving properties.

  11. Linear-Circular Dichroism of Four-Photon Absorption of Light in Semiconductors with a Complex Valence Band

    NASA Astrophysics Data System (ADS)

    Rasulov, R. Ya.; Rasulov, V. R.; Eshboltaev, I.

    2016-04-01

    Matrix elements of optical transitions occuring between the subbands of the valence band of a p-GaAs type semiconductor are calculated. Transitions associated with the non-simultaneous absorption of single photons and simultaneous absorption of two photons are taken into account. The expressions are obtained for the average values of the square modulus of matrix elements calculated with respect to the solid angle of the wave vector of holes. Linear-circular dichroism of four-photon absorption of light in semiconductors with a complex valence band is theoretically studied.

  12. PT-Symmetric Quantum Field Theory

    NASA Astrophysics Data System (ADS)

    Bender, Carl M.

    2011-09-01

    In 1998 it was discovered that the requirement that a Hamiltonian be Dirac Hermitian (H = H†) can be weakened and generalized to the requirement that a Hamiltonian be PT symmetric ([H,PT] = 0); that is, invariant under combined space reflection and time reversal. Weakening the constraint of Hermiticity allows one to consider new kinds of physically acceptable Hamiltonians and, in effect, it amounts to extending quantum mechanics from the real (Hermitian) domain into the complex domain. Much work has been done on the analysis of various PT-symmetric quantum-mechanical models. However, only very little analysis has been done on PT-symmetric quantum-field-theoretic models. Here, we describe some of what has been done in the context of PT-symmetric quantum field theory and describe some possible fundamental applications.

  13. A new method for predicting response in complex linear systems. II. [under random or deterministic steady state excitation

    NASA Technical Reports Server (NTRS)

    Bogdanoff, J. L.; Kayser, K.; Krieger, W.

    1977-01-01

    The paper describes convergence and response studies in the low frequency range of complex systems, particularly with low values of damping of different distributions, and reports on the modification of the relaxation procedure required under these conditions. A new method is presented for response estimation in complex lumped parameter linear systems under random or deterministic steady state excitation. The essence of the method is the use of relaxation procedures with a suitable error function to find the estimated response; natural frequencies and normal modes are not computed. For a 45 degree of freedom system, and two relaxation procedures, convergence studies and frequency response estimates were performed. The low frequency studies are considered in the framework of earlier studies (Kayser and Bogdanoff, 1975) involving the mid to high frequency range.

  14. Linear stability theory as an early warning sign for transitions in high dimensional complex systems

    NASA Astrophysics Data System (ADS)

    Piovani, Duccio; Grujić, Jelena; Jeldtoft Jensen, Henrik

    2016-07-01

    We analyse in detail a new approach to the monitoring and forecasting of the onset of transitions in high dimensional complex systems by application to the Tangled Nature model of evolutionary ecology and high dimensional replicator systems with a stochastic element. A high dimensional stability matrix is derived in the mean field approximation to the stochastic dynamics. This allows us to determine the stability spectrum about the observed quasi-stable configurations. From overlap of the instantaneous configuration vector of the full stochastic system with the eigenvectors of the unstable directions of the deterministic mean field approximation, we are able to construct a good early-warning indicator of the transitions occurring intermittently.

  15. Cylindrically symmetric electrohydrodynamic patterning.

    PubMed

    Deshpande, Paru; Pease, Leonard F; Chen, Lei; Chou, Stephen Y; Russel, William B

    2004-10-01

    Cylindrically symmetric structures such as concentric rings and rosettes arise out of thin polymeric films subjected to strong electric fields. Experiments that formed concentric rings and theory capable of explaining these and other cylindrical structures are presented. These rings represent an additional member of a class of structures, including pillars and holes, formed by electrohydrodynamic patterning of thin films, occasionally referred to as lithographically induced self-assembly. Fabrication of a set of concentric rings begins by spin coating a thin poly(methyl methacrylate) film onto a silicon wafer. A mask is superimposed parallel to the film leaving a similarly thin air gap. Electric fields, acting in opposition to surface tension, destabilize the free interface when raised above the glass transition temperature. Central pillars nucleate under small cylindrical protrusions patterned on the mask. Rings then emerge sequentially, with larger systems having as many as 10 fully formed rings. Ring-to-ring spacings and annular widths, typically on the order of a micron, are approximately constant within a concentric cluster. The formation rate is proportional to the viscosity and, consequently, has the expected Williams-Landel-Ferry dependence on temperature. In light of these developments we have undertaken a linear stability analysis in cylindrical coordinates to describe these rings and ringlike structures. The salient feature of this analysis is the use of perturbations that incorporate their radial dependence in terms of Bessel functions as opposed to the traditional sinusoids of Cartesian coordinates. The theory predicts approximately constant ring-to-ring spacings, constant annular widths, and growth rates that agree with experiment. A secondary instability is observed at higher temperatures, which causes the rings to segment into arcs or pillar arrays. The cylindrical theory may be generalized to describe hexagonal pillar/hole packing, gratings, and

  16. Spectral, morphological, linear and nonlinear optical properties of nanostructured benzimidazole metal complex thin films.

    PubMed

    Praveen, P A; Ramesh Babu, R; Jothivenkatachalam, K; Ramamurthi, K

    2015-11-01

    Metal organic materials are widely investigated to find their suitability for nonlinear optical applications due to the advantage of combined organic and inorganic properties. In this work benzimidazole based metal organic thin films of dichlorobis (1H-Benzimidazole) Co(II) and dichlorobis (1H-Benzimidazole) Cu(II) were deposited by chemical bath deposition method. The deposited films were annealed at 100, 150 and 200 °C to investigate the effect of annealing on the properties of thin films. Surface homogeneity of the films was increased with the annealing temperature due to the surface diffusion of the films and the same was evidently shown by Raman spectroscopy and Atomic Force Microscopy studies. But annealing the films at 200 °C yielded bulk patches on the surface due to the distortion of molecules. Linear and nonlinear optical properties of the films annealed at 150 °C showed relatively higher transmittance and improved nonlinear optical properties than the other as prepared and annealed samples. PMID:26056978

  17. Multi-Party Privacy-Preserving Set Intersection with Quasi-Linear Complexity

    NASA Astrophysics Data System (ADS)

    Cheon, Jung Hee; Jarecki, Stanislaw; Seo, Jae Hong

    Secure computation of the set intersection functionality allows n parties to find the intersection between their datasets without revealing anything else about them. An efficient protocol for such a task could have multiple potential applications in commerce, health care, and security. However, all currently known secure set intersection protocols for n>2 parties have computational costs that are quadratic in the (maximum) number of entries in the dataset contributed by each party, making secure computation of the set intersection only practical for small datasets. In this paper, we describe the first multi-party protocol for securely computing the set intersection functionality with both the communication and the computation costs that are quasi-linear in the size of the datasets. For a fixed security parameter, our protocols require O(n2k) bits of communication and Õ(n2k) group multiplications per player in the malicious adversary setting, where k is the size of each dataset. Our protocol follows the basic idea of the protocol proposed by Kissner and Song, but we gain efficiency by using different representations of the polynomials associated with users' datasets and careful employment of algorithms that interpolate or evaluate polynomials on multiple points more efficiently. Moreover, the proposed protocol is robust. This means that the protocol outputs the desired result even if some corrupted players leave during the execution of the protocol.

  18. Temperature effects on EPR spectra of a linear chain copper complex-copper calcium acetate hexahydrate

    NASA Astrophysics Data System (ADS)

    De, D. K.

    1981-03-01

    The observed angular dependence of the electron paramagnetic resonance linewidth in the ab and ac planes of CuCa(AC)2, 6H2O in the temperature interval 77K-12K was explained by considering dipolar interactions along with hyperfine and isotropic exchange interactions in these two planes. It was found that this so called linear-chain copper compound can be better described by a three dimensional paramagnet. The exchange interaction is very nearly isotropic with values Jab = 0.0098 cm-1 and Jc = 0.0103 cm-1. The values of the A⊥ derived from the linewidth fit in the ab plane are 14G at 77K and 60.5G at 1.2K. Due to insufficiency of data in the ac plane, the fit was done with the measured value of A∥. Although the exchange interaction has been found to be temperature independent the hyperfine interaction increases very much at low temperatures. The high temperature (300-460K) EPR spectra are quite different from the low temperature spectra. High temperature differential thermal analyses and thermogravimetric analyses have been carried out and corroborated with the EPR findings.

  19. Modelling and prediction of complex non-linear processes by using Pareto multi-objective genetic programming

    NASA Astrophysics Data System (ADS)

    Jamali, A.; Khaleghi, E.; Gholaminezhad, I.; Nariman-zadeh, N.

    2016-05-01

    In this paper, a new multi-objective genetic programming (GP) with a diversity preserving mechanism and a real number alteration operator is presented and successfully used for Pareto optimal modelling of some complex non-linear systems using some input-output data. In this study, two different input-output data-sets of a non-linear mathematical model and of an explosive cutting process are considered separately in three-objective optimisation processes. The pertinent conflicting objective functions that have been considered for such Pareto optimisations are namely, training error (TE), prediction error (PE), and the length of tree (complexity of the network) (TL) of the GP models. Such three-objective optimisation implementations leads to some non-dominated choices of GP-type models for both cases representing the trade-offs among those objective functions. Therefore, optimal Pareto fronts of such GP models exhibit the trade-off among the corresponding conflicting objectives and, thus, provide different non-dominated optimal choices of GP-type models. Moreover, the results show that no significant optimality in TE and PE may occur when the TL of the corresponding GP model exceeds some values.

  20. Complexation Between Weakly Basic Dendrimers and Linear Polyelectrolytes: Effects of Chain Stiffness, Grafts, and pOH

    NASA Astrophysics Data System (ADS)

    Lewis, Thomas; Pandav, Gunja; Omar, Ahmad; Ganesan, Venkat

    2013-03-01

    The unique architecture and high charge density of dendrimer molecules have attracted interest for their utilization in gene delivery applications. The strong binding affinity of cationic dendrimers to genetic materials make them effective gene delivery vectors not only by shielding the nucleic acid (NA) material from degradative enzymes in the blood stream, but also by reducing the overall negative charge of the dendrimer-NA material complex, which in turn creates more favorable interaction with the anionic cell membrane. However, the high cytotoxicities of cationic dendrimers have motivated the development of polyethylene glycol (PEG) conjugated dendrimer molecules, which have been shown to reduce dendrimer cytotoxicity while still retaining transfection ability. In order to gain insight into how the addition of neutral grafts affects the binding affinity and conformations of dendrimer-NA material complexes, we have developed and numerically solved a Self-Consistent Field Theory approach for both grafted and non-grafted annealed charged dendrimer molecules in the presence of linear polyelectrolyte molecules. Specifically, this work examines the effect of linear polyelectrolyte stiffness, grafting chain length, and solution pOH.

  1. Controlled loading of cryoprotectants (CPAs) to oocyte with linear and complex CPA profiles on a microfluidic platform†

    PubMed Central

    Heo, Yun Seok; Lee, Ho-Joon; Hassell, Bryan A.; Irimia, Daniel; Toth, Thomas L.; Elmoazzen, Heidi; Toner, Mehmet

    2013-01-01

    Oocyte cryopreservation has become an essential tool in the treatment of infertility by preserving oocytes for women undergoing chemotherapy. However, despite recent advances, pregnancy rates from all cryopreserved oocytes remain low. The inevitable use of the cryoprotectants (CPAs) during preservation affects the viability of the preserved oocytes and pregnancy rates either through CPA toxicity or osmotic injury. Current protocols attempt to reduce CPA toxicity by minimizing CPA concentrations, or by minimizing the volume changes via the step-wise addition of CPAs to the cells. Although the step-wise addition decreases osmotic shock to oocytes, it unfortunately increases toxic injuries due to the long exposure times to CPAs. To address limitations of current protocols and to rationally design protocols that minimize the exposure to CPAs, we developed a microfluidic device for the quantitative measurements of oocyte volume during various CPA loading protocols. We spatially secured a single oocyte on the microfluidic device, created precisely controlled continuous CPA profiles (step-wise, linear and complex) for the addition of CPAs to the oocyte and measured the oocyte volumetric response to each profile. With both linear and complex profiles, we were able to load 1.5 M propanediol to oocytes in less than 15 min and with a volumetric change of less than 10%. Thus, we believe this single oocyte analysis technology will eventually help future advances in assisted reproductive technologies and fertility preservation. PMID:21887438

  2. Controlled loading of cryoprotectants (CPAs) to oocyte with linear and complex CPA profiles on a microfluidic platform.

    PubMed

    Heo, Yun Seok; Lee, Ho-Joon; Hassell, Bryan A; Irimia, Daniel; Toth, Thomas L; Elmoazzen, Heidi; Toner, Mehmet

    2011-10-21

    Oocyte cryopreservation has become an essential tool in the treatment of infertility by preserving oocytes for women undergoing chemotherapy. However, despite recent advances, pregnancy rates from all cryopreserved oocytes remain low. The inevitable use of the cryoprotectants (CPAs) during preservation affects the viability of the preserved oocytes and pregnancy rates either through CPA toxicity or osmotic injury. Current protocols attempt to reduce CPA toxicity by minimizing CPA concentrations, or by minimizing the volume changes via the step-wise addition of CPAs to the cells. Although the step-wise addition decreases osmotic shock to oocytes, it unfortunately increases toxic injuries due to the long exposure times to CPAs. To address limitations of current protocols and to rationally design protocols that minimize the exposure to CPAs, we developed a microfluidic device for the quantitative measurements of oocyte volume during various CPA loading protocols. We spatially secured a single oocyte on the microfluidic device, created precisely controlled continuous CPA profiles (step-wise, linear and complex) for the addition of CPAs to the oocyte and measured the oocyte volumetric response to each profile. With both linear and complex profiles, we were able to load 1.5 M propanediol to oocytes in less than 15 min and with a volumetric change of less than 10%. Thus, we believe this single oocyte analysis technology will eventually help future advances in assisted reproductive technologies and fertility preservation. PMID:21887438

  3. A new generation of metal string complexes: structure, magnetism, spectroscopy, theoretical analysis, and single molecular conductance of an unusual mixed-valence linear [Ni5]8+ complex.

    PubMed

    Liu, Isiah Po-Chun; Bénard, Marc; Hasanov, Hasan; Chen, I-Wen Peter; Tseng, Wei-Hsiang; Fu, Ming-Dung; Rohmer, Marie-Madeleine; Chen, Chun-hsien; Lee, Gene-Hsiang; Peng, Shie-Ming

    2007-01-01

    Two new linear pentanickel complexes [Ni5(bna)4(Cl)2][PF6]2 (1) and [Ni5(bna)4(Cl)2][PF6]4 (2; bna=binaphthyridylamide), were synthesized and structurally characterized. A derivative of 1, [Ni5(bna)4(NCS)2][NCS]2 (3), was also isolated for the purpose of the conductance experiments carried out in comparison with [Ni5(tpda)4(NCS)2] (4; tpda=tripyridyldiamide). The metal framework of complex 2 is a standard [Ni5]10+ core, isoelectronic with that of [Ni5(tpda)4Cl2] (5). Also as in 5, complex 2 has an antiferromagnetic ground state (J=-15.86 cm(-1)) resulting from a coupling between the terminal nickel atoms, both in high-spin sate (S=1). Complex 1 displays the first characterized linear nickel framework in which the usual sequence of NiII atoms has been reduced by two electrons. Each dinickel unit attached to the naphthyridyl moieties is assumed to undergo a one-electron reduction, whereas the central nickel formally remains NiII. DFT calculations suggest that the metal framework of the mixed-valence complex 1 should be described as intermediate between a localized picture corresponding to NiII-NiI-NiII-NiI-NiII and a fully delocalized model represented as (Ni2)3+-NiII-(Ni2)3+. Assuming the latter model, the ground state of 1 results from an antiferromagnetic coupling (J=-34.03 cm(-1)) between the two (Ni2)3+ fragments, considered each as a single magnetic centre (S=3/2). An intervalence charge-transfer band is observed in the NIR spectrum of 1 at 1186 nm, suggesting, in accordance with DFT calculations, that 1 should be assigned to Robin-Day class II of mixed-valent complexes. Scanning tunnelling microscopy (STM) methodology was used to assess the conductance of single molecules of 3 and 4. Compound 3 was found approximately 40% more conductive than 4, a result that could be assigned to the electron mobility induced by mixed-valency in the naphthyridyl fragments. PMID:17847146

  4. Systems of Differential Equations with Skew-Symmetric, Orthogonal Matrices

    ERIC Educational Resources Information Center

    Glaister, P.

    2008-01-01

    The solution of a system of linear, inhomogeneous differential equations is discussed. The particular class considered is where the coefficient matrix is skew-symmetric and orthogonal, and where the forcing terms are sinusoidal. More general matrices are also considered.

  5. A HLL-Rankine-Hugoniot Riemann solver for complex non-linear hyperbolic problems

    NASA Astrophysics Data System (ADS)

    Guy, Capdeville

    2013-10-01

    We present a new HLL-type approximate Riemann solver that aims at capturing any isolated discontinuity without necessitating extensive characteristic analysis of governing partial differential equations. This property is especially attractive for complex hyperbolic systems with more than two equations. Following Linde's (2002) approach [6], we introduce a generic middle wave into the classical two-state HLL solver. The property of this third wave is typified by the way of a "strength indicator" that is derived from polynomial considerations. The polynomial that constitutes the basis of the procedure is made non-oscillatory by an adapted fourth-order WENO algorithm (CWENO4). This algorithm makes it possible to derive an expression for the strength indicator. According to the size of this latter parameter, the resulting solver (HLL-RH), either computes the multi-dimensional Rankine-Hugoniot equations if an isolated discontinuity appears in the Riemann fan, or asymptotically tends towards the two-state HLL solver if the solution is locally smooth. The asymptotic version of the HLL-RH solver is demonstrated to be positively conservative and entropy satisfying in its first-order multi-dimensional form provided that a relevant and not too restrictive CFL condition is considered; specific limitations of the conservative increments of the numerical solution and a suited entropy condition enable to maintain these properties in its high-order version. With a monotonicity-preserving algorithm for the time integration, the numerical method so generated, is third order in time and fourth-order accurate in space for the smooth part of the solution; moreover, the scheme is stable and accurate when capturing a shock wave, whatever the complexity of the underlying differential system. Extensive numerical tests for the one- and two-dimensional Euler equation of gas dynamics and comparisons with classical Godunov-type methods help to point out the potentialities and insufficiencies

  6. Localization of c-di-GMP-Binding Protein with the Linear Terminal Complexes of Acetobacter xylinum

    PubMed Central

    Kimura, Satoshi; Chen, He Ping; Saxena, Inder M.; Brown, R. Malcolm; Itoh, Takao

    2001-01-01

    Specific labeling of a single row of cellulose-synthesizing complexes (terminal complexes, TC subunits, TCs, or TC arrays) in Acetobacter xylinum by antibodies raised against a 93-kDa protein (the cyclic dignanylic acid-binding protein) has been demonstrated by using the sodium dodecyl sulfate (SDS)–freeze-fracture labeling (FRL) technique. The antibodies to the 93-kDa protein specifically recognized the TC subunits on the protoplasmic fracture (PF) face of the outer membrane in A. xylinum; however, nonlabeled TCs were also observed. Two types of TC subunits (particles or pits) are observed on the PF face of the outer membrane: (i) immunogold-labeled TCs showing a line of depressions (pits) with an indistinct particle array and (ii) nonlabeled TC subunits with a distinct single row of particle arrays. The evidence indicates that the labeling patterns differ with respect to the presence or absence of certain TC subunits remaining attached to the replica after SDS treatment. This suggests the presence of at least two TC components, one in the outer membrane and the other in the cytoplasmic membrane. If the TC component in the outer membrane is preferentially fractured and remains attached to the ectoplasmic fracture face (or outer leaflet) of the outer membrane, subsequent replica formation reveals a pit or depression with positive antibody labeling on the PF face of the outer membrane. If the TC component in the outer membrane remains with the PF face (or inner leaflet) of the outer membrane, the innermost TC component is removed during SDS treatment and labeling does not occur. SDS-FRL of TCs in A. xylinum has enabled us to provide the first topological molecular analysis of component proteins in a cellulose-synthesizing TC structure in a prokaryotic organism. PMID:11544230

  7. Polarization converters based on axially symmetric twisted nematic liquid crystal.

    PubMed

    Ko, Shih-Wei; Ting, Chi-Lun; Fuh, Andy Y-G; Lin, Tsung-Hsien

    2010-02-15

    An axially symmetric twisted nematic liquid crystal (ASTNLC) device, based on axially symmetric photoalignment, was demonstrated. Such an ASTNLC device can convert axial (azimuthal) to azimuthal (axial) polarization. The optical properties of the ASTNLC device are analyzed and found to agree with simulation results. The ASTNLC device with a specific device can be adopted as an arbitrary axial symmetric polarization converter or waveplate for axially, azimuthally or vertically polarized light. A design for converting linear polarized light to axially symmetric circular polarized light is also demonstrated. PMID:20389369

  8. Integrable nonlinear parity-time-symmetric optical oscillator

    NASA Astrophysics Data System (ADS)

    Hassan, Absar U.; Hodaei, Hossein; Miri, Mohammad-Ali; Khajavikhan, Mercedeh; Christodoulides, Demetrios N.

    2016-04-01

    The nonlinear dynamics of a balanced parity-time-symmetric optical microring arrangement are analytically investigated. By considering gain and loss saturation effects, the pertinent conservation laws are explicitly obtained in the Stokes domain, thus establishing integrability. Our analysis indicates the existence of two regimes of oscillatory dynamics and frequency locking, both of which are analogous to those expected in linear parity-time-symmetric systems. Unlike other saturable parity-time-symmetric systems considered before, the model studied in this work first operates in the symmetric regime and then enters the broken parity-time phase.

  9. Enantioselective Synthesis of Homoallylic Amines through Reactions of (Pinacolato)allylborons with Aryl-, Heteroaryl-, Alkyl- or Alkene-Substituted Aldimines Catalyzed by Chiral C1-Symmetric NHC–Cu Complexes

    PubMed Central

    Vieira, Erika M.; Snapper, Marc L.; Hoveyda, Amir H.

    2011-01-01

    A catalytic method for enantioselective synthesis of homoallylamides through Cu-catalyzed reactions of stable and easily accessible (pinacolato)allylborons with aryl-, heteroaryl-,alkyl- or alkenyl-substituted N-phosphinoylimines is disclosed. Transformations are promoted by 1–5 mol % of readily accessible NHC–Cu complexes, derived from C1-symmetric imidazolinium salts, which can be prepared in multi-gram quantities in four steps from commercially available materials. Allyl additions deliver the desired products in up to quantitative yield and 98.5:1.5 enantiomeric ratio and are amenable to gram-scale operations. A mechanistic model accounting for the observed selectivity levels and trends is proposed. PMID:21341657

  10. [Co5Tp*4(Me2bta)6]: A Highly Symmetrical Pentanuclear Kuratowski Complex Featuring Tris(pyrazolyl)borate and Benzotriazolate Ligands.

    PubMed

    Werner, Tamas W; Reschke, Stephan; Bunzen, Hana; von Nidda, Hans-Albrecht Krug; Deisenhofer, Joachim; Loidl, Alois; Volkmer, Dirk

    2016-02-01

    The pentanuclear Co(II) complex [Co5Tp*4(Me2bta)6] containing N-donor ligands (5,6-dimethyl benzotriazolate; Me2bta6) and N-donor capping ligands (tris(3,5-dimethyl-1-pyrazolyl)borate; Tp*) was prepared by a simple and efficient ligand exchange reaction from [Co5Cl4(Me2bta)6] and tetra-n-butyl ammonium tris(3,5-dimethyl-1-pyrazolyl)borate. Compared to the precursor complex [Co5Cl4(Me2bta)6], which contains one Co(II) ion in octahedral and four Co(II) ions in tetrahedral coordination geometry, the title compound features all five Co(II) ions in an octahedral coordination environment while keeping a high complex symmetry. This results in modified properties including improved solubility and distinct magnetic behavior as compared to the precursor complex. The molecular structure and phase purity of the compound was verified by XRPD, UV-vis, ESI-MS, IR, and NMR measurements. Thermal stability of the compound was determined via TGA. The magnetic properties of here reported novel complex [Co5Tp*4(Me2bta)6] as well as its precursor [Co5Cl4(Me2bta)6] were examined in detail via ESR and SQUID measurements, which indicated weak anti-ferromagnetic exchange interactions between high-spin Co(II) centers at T < 20 and 50 K, respectively. PMID:26828949

  11. The first example of a centro-symmetrical bis(imido)-bridged dinuclear cobalt(III) complex: synthesis via oxidative dehydrogenation and phenoxazinone synthase activity.

    PubMed

    Panja, Anangamohan; Guionneau, Philippe

    2013-04-14

    A bis(imido)-bridged dinuclear cobalt(III) complex, [Co2(amp)2(μ-imp)2Cl2]Cl2·2H2O () [amp = 2-aminomethylpyridine; imp = 2-iminomethylpyridine anion], was synthesized by the reaction of cobalt(II) chloride with 2-aminomethylpyridine in the presence of alkaline hydrogen peroxide at room temperature. X-ray crystallography reveals that both the metal centres in the molecule are related to each other through an inversion centre, and the geometry of each of the Co(III) ions is a distorted octahedral structure having a CoN5Cl coordination environment. The most important feature of the structure is the modification of half of the coordinated amines by the oxidative dehydrogenation process which involves double bridging in the complex cation. To the best of our knowledge, this is the first example of a bis(imido)-bridged dinuclear cobalt(III) complex derived from metal-assisted oxidative dehydrogenation of the coordinated primary amine ligand. Complex was found to be an excellent functional model for the phenoxazinone synthase, catalyzing the oxidative coupling of 2-aminophenol to the corresponding 2-aminophenoxazinone chromophore in dioxygen saturated methanol. The detailed kinetic investigations reveal that the phenoxazinone chromophore is produced via a potential complex-substrate intermediate. PMID:23396321

  12. A (Not Really) Complex Method for Finding Solutions to Linear Differential Equations. Modules and Monographs in Undergraduate Mathematics and Its Applications Project. UMAP Unit 497.

    ERIC Educational Resources Information Center

    Uebelacker, James W.

    This module considers ordinary linear differential equations with constant coefficients. The "complex method" used to find solutions is discussed, with numerous examples. The unit includes both problem sets and an exam, with answers provided for both. (MP)

  13. Asymmetric allylic substitution catalyzed by C1-symmetrical complexes of molybdenum: structural requirements of the ligand and the stereochemical course of the reaction.

    PubMed

    Malkov, Andrei V; Gouriou, Laure; Lloyd-Jones, Guy C; Starý, Ivo; Langer, Vratislav; Spoor, Paul; Vinader, Victoria; Kocovský, Pavel

    2006-09-01

    Application of new chiral ligands (R)-(-)-12 a and (S)-(+)-12 c (VALDY), derived from amino acids, to the title reaction, involving cinnamyl (linear) and isocinnamyl (branched) type substrates (4 and 5 --> 6), led to excellent regio- and enantioselectivities (>30:1, < or =98 % ee), showing that ligands with a single chiral center are capable of high asymmetric induction. The structural requirements of the ligand and the mechanism are discussed. The application of single enantiomers of deuterium-labeled substrates (both linear 38 c and branched 37 c) and analysis of the products (41-43) by (2)H{(1)H} NMR spectroscopy in a chiral liquid crystal matrix allowed the stereochemical pathways of the reaction to be distinguished. With ligand (S)-(+)-12 c, the matched enantiomer of branched substrate was found to be (S)-5, which was converted into (R)-6 with very high regio- and stereoselectivity via a process that involves net retention of stereochemistry. The mismatched enantiomer of the branched substrate was found to be (R)-5, which was also converted into (R)-6, that is, with apparent net inversion, but at a lower rate and with lower overall enantioselectivity. This latter feature, which may be termed a "memory effect", reduced the global enantioselectivity in the reaction of the racemic substrate (+/-)-5. The stereochemical pathway of the mismatched manifold has been shown also to be one of net retention, the apparent inversion occurring through equilibration via an Mo-allyl intermediate prior to nucleophilic attack. Incomplete equilibration leads to the memory effect and thus to lower enantioselectivity. Analysis of the mismatched manifold over the course of the reaction revealed that the memory effect is progressively attenuated with the nascent global selectivity increasing substantially as the reaction proceeds. The origin of this effect is suggested to be the depletion of CO sources in the reaction mixture, which attenuates turnover rate and thus facilitates

  14. Integrability and symmetric spaces

    SciTech Connect

    Ferreira, L.A.

    1989-01-01

    It is shown that a sufficient condition for a model describing the motion of a particle on a coset space to possess a Fundamental Poisson bracket Relation, and consequently charges in involution, is that it must be a symmetric space. The conditions, a Hamiltonian, or any functions of the canonical variables, has to satisfy in order to commute with these charges, are studied. It is show that, for the case of the noncompact symmetric spaces, these conditions lead to an algebraic structure which lays an important role in the construction of conserved quantities.

  15. Braids, shuffles and symmetrizers

    NASA Astrophysics Data System (ADS)

    Isaev, A. P.; Ogievetsky, O. V.

    2009-07-01

    Multiplicative analogues of the shuffle elements of the braid group rings are introduced; in local representations they give rise to certain graded associative algebras (b-shuffle algebras). For the Hecke and BMW algebras, the (anti)-symmetrizers have simple expressions in terms of the multiplicative shuffles. The (anti)-symmetrizers can be expressed in terms of the highest multiplicative 1-shuffles (for the Hecke and BMW algebras) and in terms of the highest additive 1-shuffles (for the Hecke algebras). The spectra and multiplicities of eigenvalues of the operators of the multiplication by the multiplicative and additive 1-shuffles are examined. Dedicated to the memory of Aleosha Zamolodchikov.

  16. Orbital tomography for highly symmetric adsorbate systems

    NASA Astrophysics Data System (ADS)

    Stadtmüller, B.; Willenbockel, M.; Reinisch, E. M.; Ules, T.; Bocquet, F. C.; Soubatch, S.; Puschnig, P.; Koller, G.; Ramsey, M. G.; Tautz, F. S.; Kumpf, C.

    2012-10-01

    Orbital tomography is a new and very powerful tool to analyze the angular distribution of a photoemission spectroscopy experiment. It was successfully used for organic adsorbate systems to identify (and consequently deconvolute) the contributions of specific molecular orbitals to the photoemission data. The technique was so far limited to surfaces with low symmetry like fcc(110) oriented surfaces, owing to the small number of rotational domains that occur on such surfaces. In this letter we overcome this limitation and present an orbital tomography study of a 3,4,9,10-perylene-tetra-carboxylic-dianhydride (PTCDA) monolayer film adsorbed on Ag(111). Although this system exhibits twelve differently oriented molecules, the angular resolved photoemission data still allow a meaningful analysis of the different local density of states and reveal different electronic structures for symmetrically inequivalent molecules. We also discuss the precision of the orbital tomography technique in terms of counting statistics and linear regression fitting algorithm. Our results demonstrate that orbital tomography is not limited to low-symmetry surfaces, a finding which makes a broad field of complex adsorbate systems accessible to this powerful technique.

  17. Algorithmic complexity. A new approach of non-linear algorithms for the analysis of atrial signals from multipolar basket catheter.

    PubMed

    Pitschner, H F; Berkowitsch, A

    2001-01-01

    Symbolic dynamics as a non linear method and computation of the normalized algorithmic complexity (C alpha) was applied to basket-catheter mapping of atrial fibrillation (AF) in the right human atrium. The resulting different degrees of organisation of AF have been compared to conventional classification of Wells. Short time temporal and spatial distribution of the C alpha during AF and effects of propafenone on this distribution have been investigated in 30 patients. C alpha was calculated for a moving window. Generated C alpha was analyzed within 10 minutes before and after administration of propafenone. The inter-regional C alpha distribution was statistically analyzed. Inter-regional C alpha differences were found in all patients (p < 0.001). The right atrium could be divided in high- and low complexity areas according to individual patterns. A significant C alpha increase in cranio-caudal direction was confirmed inter-individually (p < 0.01). The administration of propafenone enlarged the areas of low complexity. PMID:11889958

  18. Symmetrical reproductive compatibility of two species in the Ciona intestinalis (Ascidiacea) species complex, a model for marine genomics and developmental biology.

    PubMed

    Sato, Atsuko; Shimeld, Sebastian M; Bishop, John D D

    2014-06-01

    The sea squirt Ciona intestinalis species complex is a widely used model system for genomics and developmental biology, as well as ecology. Contrary to previous reports, here we show no difference in the success of development and hatching between hybrid and conspecific crosses between the two species within this complex known as types A and B, from a region in the English Channel where they are sympatric. We grew laboratory hybrids in the field for three months, and successfully obtained reproductive adults. In back-crosses of F1 laboratory hybrids to parental types, normal larvae were obtained. We conclude that hybrid crosses generate viable offspring and the resulting hybrids are interfertile with types A and B. However we also show that introgression in the natural sympatric population remains low. We discuss possible pre-zygotic and post-zygotic mechanisms which reproductively isolate these species. PMID:24882097

  19. PT-symmetric kinks

    SciTech Connect

    Souza Dutra, A. de; Santos, V. G. C. S. dos; Amaro de Faria, A. C. Jr.

    2007-06-15

    Some kinks for non-Hermitian quantum field theories in 1+1 dimensions are constructed. A class of models where the soliton energies are stable and real are found. Although these kinks are not Hermitian, they are symmetric under PT transformations.

  20. Activation of nuclear factor-kappa B by linear ubiquitin chain assembly complex contributes to lung metastasis of osteosarcoma cells.

    PubMed

    Tomonaga, Masato; Hashimoto, Nobuyuki; Tokunaga, Fuminori; Onishi, Megumi; Myoui, Akira; Yoshikawa, Hideki; Iwai, Kazuhiro

    2012-02-01

    NF-κB is involved in the metastasis of malignant cells. We have shown that NF-κB activation is involved in the pulmonary metastasis of LM8 cells, a highly metastatic subclone of Dunn murine osteosarcoma cells. Recently, it was determined that a newly identified type of polyubiquitin chain, a linear polyubiquitin chain, which is specifically generated by the linear ubiquitin chain assembly complex (LUBAC), plays a critical role in NF-κB activation. Here, we have evaluated the roles of LUBAC-mediated NF-κB activation in the development of lung metastasis of osteosarcoma cells. All three components of LUBAC (HOIL-1L, HOIP and SHARPIN) were highly expressed in LM8 cells compared to Dunn cells. Attenuation of LUBAC expression by stable knockdown of HOIL-1L in LM8 cells significantly suppressed NF-κB activity, invasiveness in vitro and lung metastasis. Induction of intracellular adhesion molecule-1 (ICAM-1) expression by LUBAC is involved in cell retention in the lungs after an intravenous inoculation of tumor cells. Moreover, we found that knockdown of LUBAC decreased not only the number but also the size of the metastatic nodules of LM8 cells in the lungs. These results indicate that LUBAC-mediated NF-κB activation plays crucial roles in several steps involved in metastasis, including extravasation and growth of osteosarcoma cells in the lung, and that suppression of LUBAC-mediated linear polyubiquitination activity may be a new approach to treat this life-threatening disease of young adolescents. PMID:21947385

  1. Complexation of Mercury(II) in Soil Organic Matter: EXAFS Evidence for Linear Two-Coordination with Reduced Sulfur Groups

    SciTech Connect

    Skyllberg,U.; Bloom, P.; Qian, J.; Lin, C.; Bleam, W.

    2006-01-01

    The chemical speciation of inorganic mercury (Hg) is to a great extent controlling biologically mediated processes, such as mercury methylation, in soils, sediments, and surface waters. Of utmost importance are complexation reactions with functional groups of natural organic matter (NOM), indirectly determining concentrations of bioavailable, inorganic Hg species. Two previous extended X-ray absorption fine structure (EXAFS) spectroscopic studies have revealed that reduced organic sulfur (S) and oxygen/nitrogen (O/N) groups are involved in the complexation of Hg(II) to humic substances extracted from organic soils. In this work, covering intact organic soils and extending to much lower concentrations of Hg than before, we show that Hg is complexed by two reduced organic S groups (likely thiols) at a distance of 2.33 Angstroms in a linear configuration. Furthermore, a third reduced S (likely an organic sulfide) was indicated to contribute with a weaker second shell attraction at a distance of 2.92-3.08 Angstroms. When all high-affinity S sites, corresponding to 20-30% of total reduced organic S, were saturated, a structure involving one carbonyl-O or amino-N at 2.07 Angstroms and one carboxyl-O at 2.84 Angstroms in the first shell, and two second shell C atoms at an average distance of 3.14 Angstroms, gave the best fit to data. Similar results were obtained for humic acid extracted from an organic wetland soil. We conclude that models that are in current use to describe the biogeochemistry of mercury and to calculate thermodynamic processes need to include a two-coordinated complexation of Hg(II) to reduced organic sulfur groups in NOM in soils and waters.

  2. Organometallic complexes of bulky, optically active, C3-symmetric tris(4S-isopropyl-5,5-dimethyl-2-oxazolinyl)phenylborate (ToP*)

    DOE PAGESBeta

    Xu, Songchen; Magoon, Yitzhak; Reinig, Regina R.; Schmidt, Bradley M.; Ellern, Arkady; Sadow, Aaron D.

    2015-07-16

    A bulky, optically active monoanionic scorpionate ligand, tris(4S-isopropyl-5,5-dimethyl-2-oxazolinyl)phenylborate (ToP*), is synthesized from the naturally occurring amino acid l-valine as its lithium salt, Li[ToP*] (1). That compound is readily converted to the thallium complex Tl[ToP*] (2) and to the acid derivative H[ToP*] (3). Group 7 tricarbonyl complexes ToP*M(CO)3 (M = Mn (4), Re (5)) are synthesized by the reaction of MBr(CO)5 and Li[ToP*] and are crystallographically characterized. The νCO bands in their infrared spectra indicate that π back-donation in the rhenium compounds is greater with ToP* than with non-methylated tris(4S-isopropyl-2-oxazolinyl)phenylborate (ToP). The reaction of H[ToP*] and ZnEt2 gives ToP*ZnEt (6), whilemore » ToP*ZnCl (7) is synthesized from Li[ToP*] and ZnCl2. The reaction of ToP*ZnCl and KOtBu followed by addition of PhSiH3 provides the zinc hydride complex ToP*ZnH (8). In this study, compound 8 is the first example of a crystallographically characterized optically active zinc hydride. We tested its catalytic reactivity in the cross-dehydrocoupling of silanes and alcohols, which provided Si-chiral silanes with moderate enantioselectivity.« less

  3. Resonances for Symmetric Two-Barrier Potentials

    ERIC Educational Resources Information Center

    Fernandez, Francisco M.

    2011-01-01

    We describe a method for the accurate calculation of bound-state and resonance energies for one-dimensional potentials. We calculate the shape resonances for symmetric two-barrier potentials and compare them with those coming from the Siegert approximation, the complex scaling method and the box-stabilization method. A comparison of the…

  4. Crystallization and structure determination of a symmetrical ‘football’ complex of the mammalian mitochondrial Hsp60–Hsp10 chaperonins

    PubMed Central

    Nisemblat, Shahar; Parnas, Avital; Yaniv, Oren; Azem, Abdussalam; Frolow, Felix

    2014-01-01

    The mitochondrial Hsp60–Hsp10 complex assists the folding of various proteins impelled by ATP hydrolysis, similar to the bacterial chaperonins GroEL and GroES. The near-atomic structural details of the mitochondrial chaperonins are not known, despite the fact that almost two decades have passed since the structures of the bacterial chaperonins became available. Here, the crystallization procedure, diffraction experiments and structure determination by molecular replacement of the mammalian mitochondrial chaperonin HSP60 (E321K mutant) and its co-chaperonin Hsp10 are reported. PMID:24419632

  5. [(NHC)Cu(I)-ER3] Complexes (ER3 = SiMe2Ph, SiPh3, SnMe3): From Linear, Mononuclear Complexes to Polynuclear Complexes with Ultrashort Cu(I)···Cu(I) Distances.

    PubMed

    Plotzitzka, Jacqueline; Kleeberg, Christian

    2016-05-16

    A series of complexes of the type [(NHC)Cu-ER3] (NHC = IDipp, IMes, ItBu, Me2IMe, and ER3 = SiMe2Ph, SiPh3, SnMe3) and [(NHC)Cu-R'] (NHC = IDipp, Me2IMe and R' = Ph, C≡CPh) was synthesized in good yields by the reaction of the corresponding [(NHC)Cu-OtBu] complex with the respective silylborane pinB-ER3 (pin = OCMe2CMe2O; ER3 = SiMe2Ph, SiPh3), the stannylborane ((C2H4)(iPrN)2)B-SnMe3, or a boronic acid ester pinB-R' (R' = Ph, C≡CPh). Solid structures of all complexes were systematically studied by X-ray diffraction analysis. The solid state structures of the complexes [(NHC)Cu-ER3] show a dependence of the structural motif from the steric properties of the NHC ligand. The sterically demanding NHC ligands (IDipp, IMes, ItBu) lead to monomeric, linear complexes [(NHC)Cu-ER3], while with the less demanding Me2IMe ligand, polynuclear, μ-ER3-bridged complexes with ultrashort Cu···Cu distances are observed. For the related complexes [(NHC)Cu-R'] no analogous complexes with bridging anionic ligands are realized. Instead, irrespective of the NHC ligand, linear coordinated copper complexes of different types are formed. (29)Si heteronuclear solution NMR spectroscopic data on [(NHC)Cu(I)-SiR3] exhibit distinctly different chemical shifts for the (in the solid state) monomeric and dimeric complexes suggesting different structure types also in solution. This agrees well with the observation of a trinuclear complex [(Me2IMe)Cu-SnMe3]3 both in the solid state and in solution. Initial catalytic studies suggest that [(NHC)Cu-OtBu] complexes (NHC = ItBu, Me2IMe) are, in addition to the established [(IDipp)Cu-OtBu] complex, efficient precatalysts for the silylation of aldehydes and α,β-unsaturated ketones with pinB-SiMe2Ph. PMID:27145039

  6. Symmetric and irregular aromatic silicon nanoclusters

    NASA Astrophysics Data System (ADS)

    Vach, Holger

    2014-10-01

    Based on first-principles calculations, we predict the existence of two classes of aromatic hydrogenated silicon nanoclusters. Despite their completely different structure, they both exhibit quite comparable physical and chemical properties due to the common presence of overcoordinated silicon atoms inducing extensive electron delocalization. Due to a complex interplay between strain relaxation and aromatic stabilization, apparently ill-defined nanoclusters might sometimes turn out to be more stable than their symmetric counterparts. Both symmetric and irregular aromatic silicon nanoclusters are extremely stable at ambient conditions and might readily find applications in future nano-technological devices.

  7. Integrability of PT-symmetric dimers

    NASA Astrophysics Data System (ADS)

    Pickton, J.; Susanto, H.

    2013-12-01

    The coupled discrete linear and Kerr nonlinear Schrödinger equations with gain and loss describing transport on dimers with parity-time (PT)-symmetric potentials are considered. The model is relevant among others to experiments in optical couplers and proposals on Bose-Einstein condensates in PT-symmetric double-well potentials. It is known that the models are integrable. Here, the integrability is exploited further to construct the phase portraits of the system. A pendulum equation with a linear potential and a constant force for the phase difference between the fields is obtained, which explains the presence of unbounded solutions above a critical threshold parameter. The behavior of all solutions of the system, including changes in the topological structure of the phase plane, is then discussed.

  8. Symmetric modular torsatron

    DOEpatents

    Rome, J.A.; Harris, J.H.

    1984-01-01

    A fusion reactor device is provided in which the magnetic fields for plasma confinement in a toroidal configuration is produced by a plurality of symmetrical modular coils arranged to form a symmetric modular torsatron referred to as a symmotron. Each of the identical modular coils is helically deformed and comprise one field period of the torsatron. Helical segments of each coil are connected by means of toroidally directed windbacks which may also provide part of the vertical field required for positioning the plasma. The stray fields of the windback segments may be compensated by toroidal coils. A variety of magnetic confinement flux surface configurations may be produced by proper modulation of the winding pitch of the helical segments of the coils, as in a conventional torsatron, winding the helix on a noncircular cross section and varying the poloidal and radial location of the windbacks and the compensating toroidal ring coils.

  9. Linear free energy relationships for metal-ligand complexation: Bidentate binding to negatively-charged oxygen donor atoms

    NASA Astrophysics Data System (ADS)

    Carbonaro, Richard F.; Atalay, Yasemin B.; Di Toro, Dominic M.

    2011-05-01

    Stability constants for metal complexation to bidentate ligands containing negatively-charged oxygen donor atoms can be estimated from the following linear free energy relationship (LFER): log KML = χOO( αO log KHL,1 + αO log KHL,2) where KML is the metal-ligand stability constant for a 1:1 complex, KHL,1 and KHL,2 are the proton-ligand stability constants (the ligand p Ka values), and αO is the Irving-Rossotti slope. The parameter χOO is metal specific and has slightly different values for five and six membered chelate rings. LFERs are presented for 21 different metal ions and are accurate to within approximately 0.30 log units in predictions of log KML values. Ligands selected for use in LFER development include dicarboxylic acids, carboxyphenols, and ortho-diphenols. For ortho-hydroxybenzaldehydes, α-hydroxycarboxylic acids, and α-ketocarboxylic acids, a modification of the LFER where log KHL,2 is set equal to zero is required. The chemical interpretation of χOO is that it accounts for the extra stability afforded to metal complexes by the chelate effect. Cu-NOM binding constants calculated from the bidentate LFERs are similar in magnitude to those used in WHAM 6. This LFER can be used to make log KML predictions for small organic molecules. Since natural organic matter (NOM) contains many of the same functional groups (i.e. carboxylic acids, phenols, alcohols), the LFER log KML predictions shed light on the range of appropriate values for use in modeling metal partitioning in natural systems.

  10. Static cylindrically symmetric spacetimes

    NASA Astrophysics Data System (ADS)

    Fjällborg, Mikael

    2007-05-01

    We prove the existence of static solutions to the cylindrically symmetric Einstein Vlasov system, and we show that the matter cylinder has finite extension in two of the three spatial dimensions. The same results are also proved for a quite general class of equations of state for perfect fluids coupled to the Einstein equations, extending the class of equations of state considered by Bicak et al (2004 Class. Quantum Grav.21 1583). We also obtain this result for the Vlasov Poisson system.

  11. Multiple symmetric lipomatosis.

    PubMed

    Lee, M S; Lee, M H; Hur, K B

    1988-12-01

    Multiple symmetric lipomatosis (MSL) is an extremely uncommon disorder. In the medical literatures about 200 cases have been reported. MSL is not associated with other generalized lipomatous disorders, nor are these patient to be necessarily obese. The cause of MSL is unknown. The disorder usually occurs in middle-aged males and there is frequently a history of alcoholism. Some instances of familial occurrence have been reported, but the majority of cases are sporadic. Two cases of MSL are presented. PMID:3267365

  12. Refined structure-based simulation of plant light-harvesting complex II: linear optical spectra of trimers and aggregates.

    PubMed

    Müh, Frank; Renger, Thomas

    2012-08-01

    Linear optical spectra of solubilized trimers and small lamellar aggregates of the major light-harvesting complex II (LHCII) of higher plants are simulated employing excitonic couplings and site energies of chlorophylls (Chls) computed on the basis of the two crystal structures by a combined quantum chemical/electrostatic approach. A good agreement between simulation and experiment is achieved (except for the circular dichroism in the Chl b region), if vibronic transitions of Chls are taken into account. Site energies are further optimized by refinement fits of optical spectra. The differences between refined and directly calculated values are not significant enough to decide, whether the crystal structures are closer to trimers or aggregates. Changes in the linear dichroism spectrum upon aggregation are related to site energy shifts of Chls b601, b607, a603, a610, and a613, and are interpreted in terms of conformational changes of violaxanthin and the two luteins involving their ionone rings. Chl a610 is the energy sink at 77K in both conformations. An analysis of absorption spectra of trimers perpendicular and parallel to the C(3)-axis (van Amerongen et al. Biophys. J. 67 (1994) 837-847) shows that only Chl a604 close to neoxanthin is significantly reoriented in trimers compared to the crystal structures. Whether this pigment is orientated in aggregates as in the crystal structures, can presently not be determined faithfully. To finally decide about pigment reorientations that could be of relevance for non-photochemical quenching, further polarized absorption and fluorescence measurements of aggregates or detergent-depleted LHCII would be helpful. This article is part of a Special Issue entitled: Photosynthesis Research for Sustainability: from Natural to Artificial. PMID:22387396

  13. 1,5-Diamido-9,10-anthraquinone, a Centrosymmetric Redox-Active Bridge with Two Coupled β-Ketiminato Chelate Functions: Symmetric and Asymmetric Diruthenium Complexes.

    PubMed

    Ansari, Mohd Asif; Mandal, Abhishek; Paretzki, Alexa; Beyer, Katharina; Fiedler, Jan; Kaim, Wolfgang; Lahiri, Goutam Kumar

    2016-06-01

    The dinuclear complexes {(μ-H2L)[Ru(bpy)2]2}(ClO4)2 ([3](ClO4)2), {(μ-H2L)[Ru(pap)2]2}(ClO4)2 ([4](ClO4)2), and the asymmetric [(bpy)2Ru(μ-H2L)Ru(pap)2](ClO4)2 ([5](ClO4)2) were synthesized via the mononuclear species [Ru(H3L)(bpy)2]ClO4 ([1]ClO4) and [Ru(H3L)(pap)2]ClO4 ([2]ClO4), where H4L is the centrosymmetric 1,5-diamino-9,10-anthraquinone, bpy is 2,2'-bipyridine, and pap is 2-phenylazopyridine. Electrochemistry of the structurally characterized [1]ClO4, [2]ClO4, [3](ClO4)2, [4](ClO4)2, and [5](ClO4)2 reveals multistep oxidation and reduction processes, which were analyzed by electron paramagnetic resonance (EPR) of paramagnetic intermediates and by UV-vis-NIR spectro-electrochemistry. With support by time-dependent density functional theory (DFT) calculations the redox processes could be assigned. Significant results include the dimetal/bridging ligand mixed spin distribution in 3(3+) versus largely bridge-centered spin in 4(3+)-a result of the presence of Ru(II)-stabilizig pap coligands. In addition to the metal/ligand alternative for electron transfer and spin location, the dinuclear systems allow for the observation of ligand/ligand and metal/metal site differentiation within the multistep redox series. DFT-supported EPR and NIR absorption spectroscopy of the latter case revealed class II mixed-valence behavior of the oxidized asymmetric system 5(3+) with about equal contributions from a radical bridge formulation. In comparison to the analogues with the deprotonated 1,4-diaminoanthraquinone isomer the centrosymmetric H2L(2-) bridge shows anodically shifted redox potentials and weaker electronic coupling between the chelate sites. PMID:27171539

  14. Synthesis of linear and cyclic peptide-PEG-lipids for stabilization and targeting of cationic liposome-DNA complexes.

    PubMed

    Ewert, Kai K; Kotamraju, Venkata Ramana; Majzoub, Ramsey N; Steffes, Victoria M; Wonder, Emily A; Teesalu, Tambet; Ruoslahti, Erkki; Safinya, Cyrus R

    2016-03-15

    Because nucleic acids (NAs) have immense potential value as therapeutics, the development of safe and effective synthetic NA vectors continues to attract much attention. In vivo applications of NA vectors require stabilized, nanometer-scale particles, but the commonly used approaches of steric stabilization with a polymer coat (e.g., PEGylation; PEG=poly(ethylene glycol)) interfere with attachment to cells, uptake, and endosomal escape. Conjugation of peptides to PEG-lipids can improve cell attachment and uptake for cationic liposome-DNA (CL-DNA) complexes. We present several synthetic approaches to peptide-PEG-lipids and discuss their merits and drawbacks. A lipid-PEG-amine building block served as the common key intermediate in all synthetic routes. Assembling the entire peptide-PEG-lipid by manual solid phase peptide synthesis (employing a lipid-PEG-carboxylic acid) allowed gram-scale synthesis but is mostly applicable to linear peptides connected via their N-terminus. Conjugation via thiol-maleimide or strain-promoted (copper-free) azide-alkyne cycloaddition chemistry is highly amenable to on-demand preparation of peptide-PEG-lipids, and the appropriate PEG-lipid precursors are available in a single chemical step from the lipid-PEG-amine building block. Azide-alkyne cycloaddition is especially suitable for disulfide-bridged peptides such as iRGD (cyclic CRGDKGPDC). Added at 10 mol% of a cationic/neutral lipid mixture, the peptide-PEG-lipids stabilize the size of CL-DNA complexes. They also affect cell attachment and uptake of nanoparticles in a peptide-dependent manner, thereby providing a platform for preparing stabilized, affinity-targeted CL-DNA nanoparticles. PMID:26874401

  15. Control of linear modes in cylindrical resistive magnetohydrodynamics with a resistive wall, plasma rotation, and complex gain

    SciTech Connect

    Brennan, D. P.; Finn, J. M.

    2014-10-15

    Feedback stabilization of magnetohydrodynamic (MHD) modes in a tokamak is studied in a cylindrical model with a resistive wall, plasma resistivity, viscosity, and toroidal rotation. The control is based on a linear combination of the normal and tangential components of the magnetic field just inside the resistive wall. The feedback includes complex gain, for both the normal and for the tangential components, and it is known that the imaginary part of the feedback for the former is equivalent to plasma rotation [J. M. Finn and L. Chacon, Phys. Plasmas 11, 1866 (2004)]. The work includes (1) analysis with a reduced resistive MHD model for a tokamak with finite β and with stepfunction current density and pressure profiles, and (2) computations with a full compressible visco-resistive MHD model with smooth decreasing profiles of current density and pressure. The equilibria are stable for β = 0 and the marginal stability values β{sub rp,rw} < β{sub rp,iw} < β{sub ip,rw} < β{sub ip,iw} (resistive plasma, resistive wall; resistive plasma, ideal wall; ideal plasma, resistive wall; and ideal plasma, ideal wall) are computed for both models. The main results are: (a) imaginary gain with normal sensors or plasma rotation stabilizes below β{sub rp,iw} because rotation suppresses the diffusion of flux from the plasma out through the wall and, more surprisingly, (b) rotation or imaginary gain with normal sensors destabilizes above β{sub rp,iw} because it prevents the feedback flux from entering the plasma through the resistive wall to form a virtual wall. A method of using complex gain G{sub i} to optimize in the presence of rotation in this regime with β > β{sub rp,iw} is presented. The effect of imaginary gain with tangential sensors is more complicated but essentially destabilizes above and below β{sub rp,iw}.

  16. The pneumococcal MgaSpn virulence transcriptional regulator generates multimeric complexes on linear double-stranded DNA.

    PubMed

    Solano-Collado, Virtu; Lurz, Rudi; Espinosa, Manuel; Bravo, Alicia

    2013-08-01

    The MgaSpn transcriptional regulator contributes to the virulence of Streptococcus pneumoniae. It is thought to be a member of the Mga/AtxA family of global regulators. MgaSpn was shown to activate in vivo the P1623B promoter, which is divergent from the promoter (Pmga) of its own gene. This activation required a 70-bp region (PB activation region) located between both promoters. In this work, we purified an untagged form of the MgaSpn protein, which formed dimers in solution. By gel retardation and footprinting assays, we analysed the binding of MgaSpn to linear double-stranded DNAs. MgaSpn interacted with the PB activation region when it was placed at internal position on the DNA. However, when it was positioned at one DNA end, MgaSpn recognized preferentially the Pmga promoter placed at internal position. In both cases, and on binding to the primary site, MgaSpn spread along the adjacent DNA regions generating multimeric protein-DNA complexes. When both MgaSpn-binding sites were located at internal positions on longer DNAs, electron microscopy experiments demonstrated that the PB activation region was the preferred target. DNA molecules totally or partially covered by MgaSpn were also visualized. Our results suggest that MgaSpn might recognize particular DNA conformations to achieve DNA-binding specificity. PMID:23723245

  17. Linear ubiquitin assembly complex negatively regulates RIG-I and TRIM25 mediated type-I interferon induction

    PubMed Central

    Inn, Kyung-Soo; Gack, Michaela U.; Tokunaga, Fuminori; Shi, Mude; Wong, Lai-Yee; Iwai, Kazuhiro; Jung, Jae U.

    2011-01-01

    Summary Upon detection of viral RNA, retinoic acid inducible gene I (RIG-I) undergoes TRIM25-mediated Lys-63 linked ubiquitination, leading to type-I interferon (IFN) production. In this study, we demonstrate that the linear ubiquitin assembly complex (LUBAC), comprised of two RING-IBR-RING (RBR)-containing E3 ligases HOIL-1L and HOIP, independently targets TRIM25 and RIG-I to effectively suppress virus-induced IFN production. RBR E3 ligase domains of HOIL-1L and HOIP bind and induce proteosomal degradation of TRIM25, whereas the NZF domain of HOIL-1L competes with TRIM25 for RIG-I binding. Consequently, both actions by the HOIL-1L/HOIP LUBAC potently inhibit RIG-I ubiquitination and anti-viral activity, but in a mechanistically separate manner. Conversely, the genetic deletion or depletion of HOIL-1L and HOIP robustly enhances virus-induced type-I IFN production. Taken together, the HOIL-1L/HOIP LUBAC specifically suppresses RIG-I ubiquitination and activation by inducing TRIM25 degradation and inhibiting TRIM25 interaction with RIG-I, resulting in the comprehensive suppression of the IFN-mediated anti-viral signaling pathway. PMID:21292167

  18. Construction of dynamics and time-ordered exponential for unbounded non-symmetric Hamiltonians

    SciTech Connect

    Futakuchi, Shinichiro; Usui, Kouta

    2014-06-15

    We prove under certain assumptions that there exists a solution of the Schrödinger or the Heisenberg equation of motion generated by a linear operator H acting in some complex Hilbert space H, which may be unbounded, not symmetric, or not normal. We also prove that, under the same assumptions, there exists a time evolution operator in the interaction picture and that the evolution operator enjoys a useful series expansion formula. This expansion is considered to be one of the mathematically rigorous realizations of so-called “time-ordered exponential,” which is familiar in the physics literature. We apply the general theory to prove the existence of dynamics for the mathematical model of Quantum Electrodynamics quantized in the Lorenz gauge, the interaction Hamiltonian of which is not even symmetric or normal.

  19. Symmetrization for redundant channels

    NASA Technical Reports Server (NTRS)

    Tulplue, Bhalchandra R. (Inventor); Collins, Robert E. (Inventor)

    1988-01-01

    A plurality of redundant channels in a system each contain a global image of all the configuration data bases in each of the channels in the system. Each global image is updated periodically from each of the other channels via cross channel data links. The global images of the local configuration data bases in each channel are separately symmetrized using a voting process to generate a system signal configuration data base which is not written into by any other routine and is available for indicating the status of the system within each channel. Equalization may be imposed on a suspect signal and a number of chances for that signal to heal itself are provided before excluding it from future votes. Reconfiguration is accomplished upon detecting a channel which is deemed invalid. A reset function is provided which permits an externally generated reset signal to permit a previously excluded channel to be reincluded within the system. The updating of global images and/or the symmetrization process may be accomplished at substantially the same time within a synchronized time frame common to all channels.

  20. Highly Effective Non-Viral Antitumor Gene Therapy System Comprised of Biocompatible Small Plasmid Complex Particles Consisting of pDNA, Anionic Polysaccharide, and Fully Deprotected Linear Polyethylenimine

    PubMed Central

    Koyama, Yoshiyuki; Sugiura, Kikuya; Yoshihara, Chieko; Inaba, Toshio; Ito, Tomoko

    2015-01-01

    We have reported that ternary complexes of plasmid DNA with conventional linear polyethylenimine (l-PEI) and certain polyanions were very stably dispersed, and, with no cryoprotectant, they could be freeze-dried and re-hydrated without the loss of transfection ability. These properties enabled the preparation of a concentrated suspension of very small pDNA complex, by preparing the complexes at highly diluted conditions, followed by condensation via lyophilization-and-rehydration procedure. Recently, a high potency linear polyethylenimine having no residual protective groups, i.e., Polyethylenimine “Max” (PEI “Max”), is available, which has been reported to induce much higher gene expression than conventional l-PEI. We tried to prepare the small DNA/PEI “Max”/polyanion complexes by a similar freeze-drying method. Small complex particles could be obtained without apparent aggregation, but transfection activity of the rehydrated complexes was severely reduced. Complex-preparation conditions were investigated in details to achieve the freeze-dried DNA/PEI “Max”/polyanion small ternary complexes with high transfection efficiency. DNA/PEI “Max”/polyanion complexes containing cytokine-coding plasmids were then prepared, and their anti-tumor therapeutic efficacy was examined in tumor-bearing mice. PMID:26213961

  1. A Free-Knot Spline Modeling Framework for Piecewise Linear Logistic Regression in Complex Samples with Body Mass Index and Mortality as an Example

    PubMed Central

    Keith, Scott W.; Allison, David B.

    2014-01-01

    This paper details the design, evaluation, and implementation of a framework for detecting and modeling non-linearity between a binary outcome and a continuous predictor variable adjusted for covariates in complex samples. The framework provides familiar-looking parameterizations of output in terms of linear slope coefficients and odds ratios. Estimation methods focus on maximum likelihood optimization of piecewise linear free-knot splines formulated as B-splines. Correctly specifying the optimal number and positions of the knots improves the model, but is marked by computational intensity and numerical instability. Our inference methods utilize both parametric and non-parametric bootstrapping. Unlike other non-linear modeling packages, this framework is designed to incorporate multistage survey sample designs common to nationally representative datasets. We illustrate the approach and evaluate its performance in specifying the correct number of knots under various conditions with an example using body mass index (BMI, kg/m2) and the complex multistage sampling design from the Third National Health and Nutrition Examination Survey to simulate binary mortality outcomes data having realistic non-linear sample-weighted risk associations with BMI. BMI and mortality data provide a particularly apt example and area of application since BMI is commonly recorded in large health surveys with complex designs, often categorized for modeling, and non-linearly related to mortality. When complex sample design considerations were ignored, our method was generally similar to or more accurate than two common model selection procedures, Schwarz’s Bayesian Information Criterion (BIC) and Akaike’s Information Criterion (AIC), in terms of correctly selecting the correct number of knots. Our approach provided accurate knot selections when complex sampling weights were incorporated, while AIC and BIC were not effective under these conditions. PMID:25610831

  2. A Novel Dual-Pressure Linear Ion Trap Mass Spectrometer Improves the Analysis of Complex Protein Mixtures

    PubMed Central

    Pekar, Tonya; Blethrow, Justin D.; Schwartz, Jae C.; Merrihew, Gennifer E.; MacCoss, Michael J.; Swaney, Danielle L.; Russell, Jason D.; Coon, Joshua J.; Zabrouskov, Vlad

    2009-01-01

    The considerable progress in high throughput proteomics analysis via liquid chromatography-electrospray ionization-tandem mass spectrometry over the last decade has been fueled to a large degree by continuous improvements in instrumentation. High throughput identification experiments are based on peptide sequencing and are largely accomplished through the use of tandem mass spectrometry, with ion trap and trap-based instruments having become broadly adopted analytical platforms. To satisfy increasingly demanding requirements for depth of characterization and throughput, we present a newly developed dual-pressure linear ion trap mass spectrometer (LTQ Velos) that features increased sensitivity, afforded by a new source design, and demonstrates practical cycle times two times shorter than that of an LTQ XL, while improving or maintaining spectral quality for MS/MS fragmentation spectra. These improvements resulted in a substantial increase in the detection and identification of both proteins and unique peptides from the complex proteome of Caenorhabditis elegans, as compared to existing platforms. The greatly increased ion flux into the mass spectrometer in combination with improved isolation of low-abundance precursor ions resulted in increased detection of low-abundance peptides. These improvements cumulatively resulted in a substantially greater penetration into the baker’s yeast (Saccharomyces cerevisiae) proteome compared to LTQ XL. Alternatively, faster cycle times on the new instrument allowed for higher throughput for a given depth of proteome analysis, with more peptides and proteins identified in 60 min using an LTQ Velos than in 180 min using an LTQ XL. When mass analysis was carried out with resolution in excess of 25,000 FWHM, it became possible to isotopically resolve a small intact protein and its fragments, opening possibilities for top down experiments. PMID:19689114

  3. Linear-dendritic supramolecular complexes as nanoscale reaction vessels for "green" chemistry. Diels-Alder reactions between fullerene C60 and polycyclic aromatic hydrocarbons in aqueous medium.

    PubMed

    Simonyan, Arsen; Gitsov, Ivan

    2008-10-21

    This study describes the first Diels-Alder (DA) reaction performed in aqueous medium with highly hydrophobic compounds-fullerene (C 60) as the dienophile and anthracene (An) or tetracene (Tet) as the dienes, respectively. The reactions are performed in nanocontainers, constructed by self-assembly of linear-dendritic amphiphilic copolymers with poly(ethylene glycol), PEG or poly(ethylene oxide), PEO as the hydrophilic blocks and poly(benzyl ether) monodendrons as the hydrophobic fragments: G3PEO13k, dG3 and dG2. Comparative studies under identical conditions are carried out with an amphiphilic linear-linear copolymer, poly(styrene)1800- block-PEO2100, PSt-PEO, and the nonionic surfactant Igepal CO-720, IP720. The binding affinity of supermolecules built of these amphiphiles toward the DA reagents decreases in the following order: G3PEO13k > dG3 > PSt-PEO > dG2 > IP720. The kinetic constant of binding is evaluated for tetracene and decreases in a similar fashion: 5 x 10 (-7) M/min (G3PEO13k), through 4 x 10 (-7) M/min (PSt-PEO) down to 1.5 x 10 (-7) M/min for IP720. The mobility of substrates encapsulated in the micellar core, estimated by pyrene fluorescence decay, is 95-121 ns for the micelles of the linear-dendritic copolymers and notably higher for PSt-PEO (152 ns), revealing the much denser interior of the linear analogue. The apparent kinetic constant for the DA reaction of C 60 and Tet within the G3PEO13k supermolecule in aqueous medium is markedly higher than in organic solvent (toluene), 208 vs 1.82 M /min. With G3PEO13k the conversions reach 49% for the DA reaction between C 60 and An, and 55% for C 60 and Tet. Besides the monoadduct (26.5% yield) the reaction with An produces exclusively increasing amounts of D 2 h -symmetric antipodal bis-adduct, whose yield reaches up to 22.5% after 48 h. In addition to the environmentally friendly conditions notable advantages of the synthetic strategy described are the extended stability of the linear

  4. Linear optimal control of tokamak fusion devices

    SciTech Connect

    Kessel, C.E.; Firestone, M.A.; Conn, R.W.

    1989-05-01

    The control of plasma position, shape and current in a tokamak fusion reactor is examined using linear optimal control. These advanced tokamaks are characterized by non up-down symmetric coils and structure, thick structure surrounding the plasma, eddy currents, shaped plasmas, superconducting coils, vertically unstable plasmas, and hybrid function coils providing ohmic heating, vertical field, radial field, and shaping field. Models of the electromagnetic environment in a tokamak are derived and used to construct control gains that are tested in nonlinear simulations with initial perturbations. The issues of applying linear optimal control to advanced tokamaks are addressed, including complex equilibrium control, choice of cost functional weights, the coil voltage limit, discrete control, and order reduction. Results indicate that the linear optimal control is a feasible technique for controlling advanced tokamaks where the more common classical control will be severely strained or will not work. 28 refs., 13 figs.

  5. Static spherically symmetric wormholes with isotropic pressure

    NASA Astrophysics Data System (ADS)

    Cataldo, Mauricio; Liempi, Luis; Rodríguez, Pablo

    2016-06-01

    In this paper we study static spherically symmetric wormhole solutions sustained by matter sources with isotropic pressure. We show that such spherical wormholes do not exist in the framework of zero-tidal-force wormholes. On the other hand, it is shown that for the often used power-law shape function there are no spherically symmetric traversable wormholes sustained by sources with a linear equation of state p = ωρ for the isotropic pressure, independently of the form of the redshift function ϕ (r). We consider a solution obtained by Tolman at 1939 for describing static spheres of isotropic fluids, and show that it also may describe wormhole spacetimes with a power-law redshift function, which leads to a polynomial shape function, generalizing a power-law shape function, and inducing a solid angle deficit.

  6. Symmetric Waveguide Orthomode Junctions

    NASA Technical Reports Server (NTRS)

    Wollack, E. J.; Grammer, W.

    2003-01-01

    Imaging applications at millimeter and submillimeter wavelengths demand precise characterization of the amplitude, spectrum, and polarization of the electromagnetic radiation. The use of a waveguide orthomode transducer (OMT) can help achieve these goals by increasing spectral coverage and sensitivity while reducing exit aperture size, optical spill, instrumental polarization offsets, and lending itself to integration in focal plane arrays. For these reasons, four-old symmetric OMTs are favored over a traditional quasi-optical wire grid for focal plane imaging arrays from a systems perspective. The design, fabrication, and test of OMTs realized with conventional split-block techniques for millimeter wave-bands are described. The design provides a return loss is -20 dB over a full waveguide band (40% bandwidth), and the cross-polarization and isolation are greater than -40 dB for tolerances readily achievable in practice. Prototype examples realized in WR10.0 and WR3.7 wavebands will be considered in detail.

  7. Symmetric Waveguide Orthomode Junctions

    NASA Technical Reports Server (NTRS)

    Wollack, E. J.; Grammer, W.

    2003-01-01

    Imaging applications at millimeter and submillimeter wavelengths demand precise characterization of the amplitude, spectrum, and polarization of the electromagnetic radiation. The use of a waveguide orthomode transducer (OMT) can help achieve these goals by increasing spectral coverage and sensitivity while reducing exit aperture size, optical spill, instrumental polarization offsets, and lending itself to integration in focal plane arrays. For these reasons, four-fold symmetric OMTs are favored over a traditional quasi-optical wire grid for focal plane imaging arrays from a systems perspective. The design, fabrication, and test of OMTs realized with conventional split-block techniques for millimeter wave-bands are described. The design provides a return loss is -20 dB over a full waveguide band (40% bandwidth), and the cross-polarization and isolation are greater than -40 dB for tolerances readily achievable in practice. Prototype examples realized in WR10.0 and WR3.7 wavebands will be considered in detail.

  8. A Pyridine-Based Ligand with Two Hydrazine Functions for Lanthanide Chelation: Remarkable Kinetic Inertness for a Linear, Bishydrated Complex.

    PubMed

    Bonnet, Célia S; Laine, Sophie; Buron, Frédéric; Tircsó, Gyula; Pallier, Agnès; Helm, Lothar; Suzenet, Franck; Tóth, Éva

    2015-06-15

    To study the influence of hydrazine functions in the ligand skeleton, we designed the heptadentate HYD ligand (2,2',2″,2‴-(2,2'-(pyridine-2,6-diyl)bis(2-methylhydrazine-2,1,1-triyl)) tetraacetic acid) and compared the thermodynamic, kinetic, and relaxation properties of its Ln(3+) complexes to those of the parent pyridine (Py) analogues without hydrazine (Py = 2,6-pyridinebis(methanamine)-N,N,N',N'-tetraacetic acid). The protonation constants of HYD were determined by pH-potentiometric measurements, and assigned by a combination of UV-visible and NMR spectroscopies. The protonation sequence is rather unusual and illustrates that small structural changes can strongly influence ligand basicity. The first protonation step occurs on the pyridine nitrogen in the basic region, followed by two hydrazine nitrogens and the carboxylate groups at acidic pH. Contrary to Py, HYD self-aggregates through a pH-dependent process (from pH ca. 4). Thermodynamic stability constants have been obtained by pH-potentiometry and UV-visible spectrophotometry for various Ln(3+) and physiological cations (Zn(2+), Ca(2+), Cu(2+)). LnHYD stability constants show the same trend as those of LnDTPA complexes along the Ln(3+) series, with log K = 18.33 for Gd(3+), comparable to the Py analogue. CuHYD has a particularly high stability (log K > 19) preventing its determination from pH-potentiometric measurements. The stability constant of CuPy was also revisited and found to be underestimated in previous studies, highlighting that UV-visible spectrophotometry is often indispensable to obtain reliable stability constants for Cu(2+) chelates. The dissociation of GdL, assessed by studying the Cu(2+)-exchange reaction, occurs mainly via an acid-catalyzed process, with limited contribution from direct Cu(2+) attack. The kinetic inertness of GdHYD is remarkable for a linear bishydrated chelate; the 25-fold increase in the dissociation half-life with respect to the monohydrated commercial contrast agent

  9. Solitonic dynamics and excitations of the nonlinear Schrödinger equation with third-order dispersion in non-Hermitian PT-symmetric potentials

    PubMed Central

    Chen, Yong; Yan, Zhenya

    2016-01-01

    Solitons are of the important significant in many fields of nonlinear science such as nonlinear optics, Bose-Einstein condensates, plamas physics, biology, fluid mechanics, and etc. The stable solitons have been captured not only theoretically and experimentally in both linear and nonlinear Schrödinger (NLS) equations in the presence of non-Hermitian potentials since the concept of the parity-time -symmetry was introduced in 1998. In this paper, we present novel bright solitons of the NLS equation with third-order dispersion in some complex -symmetric potentials (e.g., physically relevant -symmetric Scarff-II-like and harmonic-Gaussian potentials). We find stable nonlinear modes even if the respective linear -symmetric phases are broken. Moreover, we also use the adiabatic changes of the control parameters to excite the initial modes related to exact solitons to reach stable nonlinear modes. The elastic interactions of two solitons are exhibited in the third-order NLS equation with -symmetric potentials. Our results predict the dynamical phenomena of soliton equations in the presence of third-order dispersion and -symmetric potentials arising in nonlinear fiber optics and other physically relevant fields. PMID:27002543

  10. Solitonic dynamics and excitations of the nonlinear Schrödinger equation with third-order dispersion in non-Hermitian PT-symmetric potentials.

    PubMed

    Chen, Yong; Yan, Zhenya

    2016-01-01

    Solitons are of the important significant in many fields of nonlinear science such as nonlinear optics, Bose-Einstein condensates, plamas physics, biology, fluid mechanics, and etc. The stable solitons have been captured not only theoretically and experimentally in both linear and nonlinear Schrödinger (NLS) equations in the presence of non-Hermitian potentials since the concept of the parity-time -symmetry was introduced in 1998. In this paper, we present novel bright solitons of the NLS equation with third-order dispersion in some complex -symmetric potentials (e.g., physically relevant -symmetric Scarff-II-like and harmonic-Gaussian potentials). We find stable nonlinear modes even if the respective linear -symmetric phases are broken. Moreover, we also use the adiabatic changes of the control parameters to excite the initial modes related to exact solitons to reach stable nonlinear modes. The elastic interactions of two solitons are exhibited in the third-order NLS equation with -symmetric potentials. Our results predict the dynamical phenomena of soliton equations in the presence of third-order dispersion and -symmetric potentials arising in nonlinear fiber optics and other physically relevant fields. PMID:27002543

  11. Solitonic dynamics and excitations of the nonlinear Schrödinger equation with third-order dispersion in non-Hermitian PT-symmetric potentials

    NASA Astrophysics Data System (ADS)

    Chen, Yong; Yan, Zhenya

    2016-03-01

    Solitons are of the important significant in many fields of nonlinear science such as nonlinear optics, Bose-Einstein condensates, plamas physics, biology, fluid mechanics, and etc. The stable solitons have been captured not only theoretically and experimentally in both linear and nonlinear Schrödinger (NLS) equations in the presence of non-Hermitian potentials since the concept of the parity-time -symmetry was introduced in 1998. In this paper, we present novel bright solitons of the NLS equation with third-order dispersion in some complex -symmetric potentials (e.g., physically relevant -symmetric Scarff-II-like and harmonic-Gaussian potentials). We find stable nonlinear modes even if the respective linear -symmetric phases are broken. Moreover, we also use the adiabatic changes of the control parameters to excite the initial modes related to exact solitons to reach stable nonlinear modes. The elastic interactions of two solitons are exhibited in the third-order NLS equation with -symmetric potentials. Our results predict the dynamical phenomena of soliton equations in the presence of third-order dispersion and -symmetric potentials arising in nonlinear fiber optics and other physically relevant fields.

  12. Novel linear piezoelectric motor for precision position stage

    NASA Astrophysics Data System (ADS)

    Chen, Chao; Shi, Yunlai; Zhang, Jun; Wang, Junshan

    2016-03-01

    Conventional servomotor and stepping motor face challenges in nanometer positioning stages due to the complex structure, motion transformation mechanism, and slow dynamic response, especially directly driven by linear motor. A new butterfly-shaped linear piezoelectric motor for linear motion is presented. A two-degree precision position stage driven by the proposed linear ultrasonic motor possesses a simple and compact configuration, which makes the system obtain shorter driving chain. Firstly, the working principle of the linear ultrasonic motor is analyzed. The oscillation orbits of two driving feet on the stator are produced successively by using the anti-symmetric and symmetric vibration modes of the piezoelectric composite structure, and the slider pressed on the driving feet can be propelled twice in only one vibration cycle. Then with the derivation of the dynamic equation of the piezoelectric actuator and transient response model, start-upstart-up and settling state characteristics of the proposed linear actuator is investigated theoretically and experimentally, and is applicable to evaluate step resolution of the precision platform driven by the actuator. Moreover the structure of the two-degree position stage system is described and a special precision displacement measurement system is built. Finally, the characteristics of the two-degree position stage are studied. In the closed-loop condition the positioning accuracy of plus or minus <0.5 μm is experimentally obtained for the stage propelled by the piezoelectric motor. A precision position stage based the proposed butterfly-shaped linear piezoelectric is theoretically and experimentally investigated.

  13. Structure Effect of Some New Anticancer Pt(II) Complexes of Amino Acid Derivatives with Small Branched or Linear Hydrocarbon Chains on Their DNA Interaction.

    PubMed

    Kantoury, Mahshid; Eslami Moghadam, Mahboube; Tarlani, Ali Akbar; Divsalar, Adeleh

    2016-07-01

    The aim of this study was to investigate the structure effect and identify the modes of binding of amino acid-Pt complexes to DNA molecule for cancer treatment. Hence, three novel water soluble platinum complexes, [Pt(phen)(R-gly)]NO3 (where phen is 1,10-phenanthroline, R-gly is methyl, amyl, and isopentyl-glycine), have been synthesized and characterized by spectroscopic methods, conductivity measurements, and chemical analysis. The anticancer activities of synthesized complexes were investigated against human breast cancer cell line of MDA-MB 231. The 50% cytotoxic concentration values were determined to be 42.5, 58, and 70 μm for methyl-, amyl-, and isopentyl-gly complexes, respectively. These complexes were interacted with calf thymus DNA (ct-DNA) via positive cooperative interaction. The modes of binding of the complexes to DNA were investigated by fluorescence spectroscopy and circular dichroism in combination with a molecular docking study. The result indicates that complexes with small or branched hydrocarbon chains can intercalate with DNA. This is while amyl complexes with linear chains interacted additionally via groove binding. The results of the negative value of Gibbs energy for binding of isopentyl-platinum to DNA and those of the molecular docking were coherent. Furthermore, the docking results demonstrated that hydrophobic interaction plays an important role in the complex-DNA interaction. PMID:26833921

  14. Chirally symmetric but confining dense, cold matter

    SciTech Connect

    Glozman, L. Ya.; Wagenbrunn, R. F.

    2008-03-01

    The folklore tradition about the QCD phase diagram is that at the chiral restoration phase transition at finite density hadrons are deconfined and there appears the quark matter. We address this question within the only known exactly solvable confining and chirally symmetric model. It is postulated within this model that there exists linear Coulomb-like confining interaction. The chiral symmetry breaking and the quark Green function are obtained from the Schwinger-Dyson (gap) equation while the color-singlet meson spectrum results from the Bethe-Salpeter equation. We solve this model at T=0 and finite chemical potential {mu} and obtain a clear chiral restoration phase transition at the critical value {mu}{sub cr}. Below this value the spectrum is similar to the previously obtained one at {mu}=0. At {mu}>{mu}{sub cr} the quarks are still confined and the physical spectrum consists of bound states which are arranged into a complete set of exact chiral multiplets. This explicitly demonstrates that a chirally symmetric matter consisting of confined but chirally symmetric hadrons at finite chemical potential is also possible in QCD. If so, there must be nontrivial implications for astrophysics.

  15. Chirally symmetric but confining dense, cold matter

    NASA Astrophysics Data System (ADS)

    Glozman, L. Ya.; Wagenbrunn, R. F.

    2008-03-01

    The folklore tradition about the QCD phase diagram is that at the chiral restoration phase transition at finite density hadrons are deconfined and there appears the quark matter. We address this question within the only known exactly solvable confining and chirally symmetric model. It is postulated within this model that there exists linear Coulomb-like confining interaction. The chiral symmetry breaking and the quark Green function are obtained from the Schwinger-Dyson (gap) equation while the color-singlet meson spectrum results from the Bethe-Salpeter equation. We solve this model at T=0 and finite chemical potential μ and obtain a clear chiral restoration phase transition at the critical value μcr. Below this value the spectrum is similar to the previously obtained one at μ=0. At μ>μcr the quarks are still confined and the physical spectrum consists of bound states which are arranged into a complete set of exact chiral multiplets. This explicitly demonstrates that a chirally symmetric matter consisting of confined but chirally symmetric hadrons at finite chemical potential is also possible in QCD. If so, there must be nontrivial implications for astrophysics.

  16. Symmetric multilayer megampere X-pinch

    SciTech Connect

    Shelkovenko, T. A.; Pikuz, S. A.; McBride, R. D.; Knapp, P. F.; Wilhelm, G.; Sinars, D. B.; Hammer, D. A.; Orlov, N. Yu.

    2010-01-15

    Raising the power of X-ray emission from an X-pinch by increasing the pinch current to the megampere level requires the corresponding increase in the initial linear mass of the load. This can be achieved by increasing either the number of wires or their diameter. In both cases, special measures should be undertaken to prevent the formation of a complicated configuration with an uncontrolled spatial structure in the region of wire crossing, because such a structure breaks the symmetry of the neck formed in the crossing region, destabilizes plasma formation, and degrades X-ray generation. To improve the symmetry of the wire crossing region, X-pinch configurations with a regular multilayer arrangement of wires in this region were proposed and implemented. The results of experiments with various symmetric X-pinch configurations on the COBRA facility at currents of {approx}1MA are presented. It is shown that an X-pinch with a symmetric crossing region consisting of several layers of wires made of different materials can be successfully used in megampere facilities. The most efficient combinations of wires in symmetric multilayer X-pinches are found in which only one hot spot forms and that are characterized by a high and stable soft X-ray yield.

  17. Backbone dynamics of a symmetric calmodulin dimer in complex with the calmodulin-binding domain of the basic-helix-loop-helix transcription factor SEF2-1/E2-2: a highly dynamic complex.

    PubMed

    Larsson, Göran; Schleucher, Jürgen; Onions, Jacqueline; Hermann, Stefan; Grundström, Thomas; Wijmenga, Sybren S

    2005-08-01

    Calmodulin (CaM) interacts specifically as a dimer with some dimeric basic-Helix-Loop-Helix (bHLH) transcription factors via a novel high affinity binding mode. Here we report a study of the backbone dynamics by (15)N-spin relaxation on the CaM dimer in complex with a dimeric peptide that mimics the CaM binding region of the bHLH transcription factor SEF2-1. The relaxation data were measured at multiple magnetic fields, and analyzed in a model-free manner using in-house written software designed to detect nanosecond internal motion. Besides picosecond motions, all residues also experience internal motion with an effective correlation time of approximately 2.5 ns with squared order parameter (S(2)) of approximately 0.75. Hydrodynamic calculations suggest that this can be attributed to motions of the N- and C-terminal domains of the CaM dimer in the complex. Moreover, residues with significant exchange broadening are found. They are clustered in the CaM:SEF2-1mp binding interface, the CaM:CaM dimer interface, and in the flexible helix connecting the CaM N- and C-terminal domains, and have similar exchange times (approximately 50 micros), suggesting a cooperative mechanism probably caused by protein:protein interactions. The dynamic features presented here support the conclusion that the conformationally heterogeneous bHLH mimicking peptide trapped inside the CaM dimer exchanges between different binding sites on both nanosecond and microsecond timescales. Nature has thus found a way to specifically recognize a relatively ill-fitting target. This novel mode of target-specific binding, which neither belongs to lock-and-key nor induced-fit binding, is characterized by dimerization and continuous exchange between multiple flexible binding alternatives. PMID:15894636

  18. Optical Scanner for Linear Arrays

    NASA Technical Reports Server (NTRS)

    Finkel, M. W.

    1986-01-01

    Optical scanner instantaneously reads contiguous lines forming scene or target in object plane. Reading active or passive and scans, continuous or discrete. Scans essentially linear with scan angle and symmetric about axial ray. Nominal focal error, resulting from curvature of scan, well within Rayleigh limit. Scanner specifically designed to be fully compatible with general requirements of linear arrays.

  19. Decay Structure for Symmetric Hyperbolic Systems with Non-Symmetric Relaxation and its Application

    NASA Astrophysics Data System (ADS)

    Ueda, Yoshihiro; Duan, Renjun; Kawashima, Shuichi

    2012-07-01

    This paper is concerned with the decay structure for linear symmetric hyperbolic systems with relaxation. When the relaxation matrix is symmetric, the dissipative structure of the systems is completely characterized by the Kawashima-Shizuta stability condition formulated in Umeda et al. (Jpn J Appl Math 1:435-457, 1984) and Shizuta and Kawashima (Hokkaido Math J 14:249-275, 1985) and we obtain the asymptotic stability result together with the explicit time-decay rate under that stability condition. However, some physical models which satisfy the stability condition have non-symmetric relaxation term (for example, the Timoshenko system and the Euler-Maxwell system). Moreover, it had been already known that the dissipative structure of such systems is weaker than the standard type and is of the regularity-loss type (see Duan in J Hyperbolic Differ Equ 8:375-413, 2011; Ide et al. in Math Models Meth Appl Sci 18:647-667, 2008; Ide and Kawashima in Math Models Meth Appl Sci 18:1001-1025, 2008; Ueda et al. in SIAM J Math Anal 2012; Ueda and Kawashima in Methods Appl Anal 2012). Therefore our purpose in this paper is to formulate a new structural condition which includes the Kawashima-Shizuta condition, and to analyze the weak dissipative structure for general systems with non-symmetric relaxation.

  20. Achromatic axially symmetric wave plate.

    PubMed

    Wakayama, Toshitaka; Komaki, Kazuki; Otani, Yukitoshi; Yoshizawa, Toru

    2012-12-31

    An achromatic axially symmetric wave plate (AAS-WP) is proposed that is based on Fresnel reflections. The wave plate does not introduce spatial dispersion. It provides retardation in the wavelength domain with an axially symmetric azimuthal angle. The optical configuration, a numerical simulation, and the optical properties of the AAS-WP are described. It is composed of PMMA. A pair of them is manufactured on a lathe. In the numerical simulation, the achromatic angle is estimated and is used to design the devices. They generate an axially symmetric polarized beam. The birefringence distribution is measured in order to evaluate the AAS-WPs. PMID:23388751

  1. Conditional symmetric instability and mesoscale rainbands

    NASA Technical Reports Server (NTRS)

    Xu, Q.

    1986-01-01

    The linear theory of conditional symmetric instability (CSI) is re-examined in a rigorous framework. In comparison with symmetric instability a new feature of CSI is that the moist updraught tends to be narrow, as with conditional buoyancy instability (CBI). As the width of the moist updraught varies from its tolerance maximum to infinitesimal, the inviscid growth rate increases from zero to its maximum and the slope of the moist updraught increases from the absolute momentum surface to the moist most unstable surface. The fact that CSI circulations absorb energy from the basic shear and moist thermal field but lose energy to the dry basic thermal field is responsible for the narrow and slant feature of the moist updraught. When a bulk viscosity is accounted for, the most rapidly growing CSI modes bear a qualitative resemblance to some observed rainbands. The stability criterion of viscous CSI also shows a better comparison with observational data than inviscid CSI. The linear CSI theory here predicts that the isolated mode is preferred to other non-isolated (periodic or irregular spacing) modes. The preference of non-isolated modes is speculated to occur in the nonlinear stage.

  2. Probabilistic minimal disturbance measurement of symmetrical qubit states

    SciTech Connect

    Filip, R.; Mista, L. Jr.; De Martini, F.; Ricci, M.; Sciarrino, F.

    2006-11-15

    We derive fidelity tradeoffs for probabilistic minimal disturbance measurements for certain discrete sets of symmetrical single qubit states. We propose and experimentally demonstrate a simple linear optical scheme saturating these tradeoffs in which the degree of disturbance is controlled only by measurement of a single ancillary photon.

  3. Symmetric Composite Laminate Stress Analysis

    NASA Technical Reports Server (NTRS)

    Wang, T.; Smolinski, K. F.; Gellin, S.

    1985-01-01

    It is demonstrated that COSMIC/NASTRAN may be used to analyze plate and shell structures made of symmetric composite laminates. Although general composite laminates cannot be analyzed using NASTRAN, the theoretical development presented herein indicates that the integrated constitutive laws of a symmetric composite laminate resemble those of a homogeneous anisotropic plate, which can be analyzed using NASTRAN. A detailed analysis procedure is presented, as well as an illustrative example.

  4. On the optimum bit orders with respect to the state complexity of trellis diagrams for binary linear codes

    NASA Technical Reports Server (NTRS)

    Kasami, Tadao; Takata, Toyoo; Fujiwara, Toru; Lin, Shu

    1993-01-01

    It was shown earlier that for a punctured Reed-Muller (RM) code or a primitive BCH code, which contains a punctured RM code of the same minimum distance as a large subcode, the state complexity of the minimal trellis diagram is much greater than that for an equivalent code obtained by a proper permutation on the bit positions. To find a permutation on the bit positions for a given code that minimizes the state complexity of its minimal trellis diagram is an interesting and challenging problem. This permutation problem is related to the generalized Hamming weight hierarchy of a code, and is shown that for RM codes, the standard binary order of bit positions is optimum at every bit position with respect to the state complexity of a minimal trellis diagram by using a theorem due to Wei. The state complexity of trellis diagram for the extended and permuted (64, 24) BCH code is discussed.

  5. Synthesis and spectral studies on metal complexes of s-triazine based ligand and non linear optical properties

    NASA Astrophysics Data System (ADS)

    Shanmugakala, R.; Tharmaraj, P.; Sheela, C. D.

    2014-11-01

    A series of transition metal complexes of type [ML] and [ML2]Cl2 (where M = Cu(II), Ni(II), Co(II) have synthesized from 2-phenylamino-4,6-dichloro-s-triazine and 3,5-dimethyl pyrazole; their characteristics have been investigated by means of elemental analyses, magnetic susceptibility, molar conductance, IR, UV-Vis, Mass, NMR and ESR spectra. The electrochemical behavior of copper(II) complexes we have studied, by using cyclic voltammetry. The ESR spectra of copper(II) complexes are recorded at 300 K and 77 K and their salient features are appropriately reported. Spectral datas, we found, show that the ligand acts as a neutral tridentate, and coordinates through the triazine ring nitrogen and pyrazolyl ring nitrogen atoms to the metal ion. Evident from our findings, the metal(II) complexes of [ML] type exhibit square pyramidal geometry, and that of [ML2]Cl2 exhibit octahedral geometry. The in vitro antimicrobial activities of the ligand and its complexes are evaluated against Bacillus subtilis, Micrococcus luteus, Staphylococcus aureus, Staphylococcus epidermidis, Streptococcus mutans, Escherichia coli, Enterobacter aerogenes, Klebsiella pneumoniae, Proteus vulgaris, Cryptococcus neoformans, Pseudomonas aeruginosa, Salmonella typhi, Serratia marcescens, Shigella flexneri, Vibrio cholera, Vibris parahaemolyticus, Aspergillus niger, Candida albicans and Penicillium oxalicum by well-diffusion method. The second harmonic generation efficiency of the ligand and its complexes are determined and compared with urea and KDP.

  6. Nonlinear waves in PT -symmetric systems

    NASA Astrophysics Data System (ADS)

    Konotop, Vladimir V.; Yang, Jianke; Zezyulin, Dmitry A.

    2016-07-01

    Recent progress on nonlinear properties of parity-time (PT )-symmetric systems is comprehensively reviewed in this article. PT symmetry started out in non-Hermitian quantum mechanics, where complex potentials obeying PT symmetry could exhibit all-real spectra. This concept later spread out to optics, Bose-Einstein condensates, electronic circuits, and many other physical fields, where a judicious balancing of gain and loss constitutes a PT -symmetric system. The natural inclusion of nonlinearity into these PT systems then gave rise to a wide array of new phenomena which have no counterparts in traditional dissipative systems. Examples include the existence of continuous families of nonlinear modes and integrals of motion, stabilization of nonlinear modes above PT -symmetry phase transition, symmetry breaking of nonlinear modes, distinctive soliton dynamics, and many others. In this article, nonlinear PT -symmetric systems arising from various physical disciplines are presented, nonlinear properties of these systems are thoroughly elucidated, and relevant experimental results are described. In addition, emerging applications of PT symmetry are pointed out.

  7. Self-assembly behavior of a linear-star supramolecular amphiphile based on host-guest complexation.

    PubMed

    Wang, Juan; Wang, Xing; Yang, Fei; Shen, Hong; You, Yezi; Wu, Decheng

    2014-11-01

    A star polymer, β-cyclodextrin-poly(l-lactide) (β-CD-PLLA), and a linear polymer, azobenzene-poly(ethylene glycol) (Azo-PEG), could self-assemble into a supramolecular amphiphilic copolymer (β-CD-PLLA@Azo-PEG) based on the host-guest interaction between β-CD and azobenzene moieties. This linear-star supramolecular amphiphilic copolymer further self-assembled into a variety of morphologies, including sphere-like micelle, carambola-like micelle, naan-like micelle, shuttle-like lamellae, tube-like fiber, and random curled-up lamellae, by tuning the length of hydrophilic or hydrophobic chains. The variation of morphology was closely related to the topological structure and block ratio of the supramolecular amphiphiles. These self-assembly structures could disassemble upon an ultraviolet (UV) light irradiation. PMID:25310380

  8. Taming the Exceptional Points of Parity-Time Symmetric Acoustics

    NASA Astrophysics Data System (ADS)

    Dubois, Marc; Shi, Chengzhi; Chen, Yun; Cheng, Lei; Ramezani, Hamidreza; Wang, Yuan; Zhang, Xiang

    Parity-time (PT) symmetric concept and development lead to a wide range of applications including coherent perfect absorbers, single mode lasers, unidirectional cloaking and sensing, and optical isolators. These new applications and devices emerge from the existence of a phase transition in PT symmetric complex-valued potential obtained by balancing gain and loss materials. However, the systematic extension of such devices is adjourned by the key challenge in the management of the complex scattering process within the structure in order to engineer PT phase and exceptional points. Here, based on active acoustic elements, we experimentally demonstrate the simultaneous control of complex-valued potentials and multiple interference inside the structure at any given frequency. This method broadens the scope of applications for PT symmetric devices in many fields including optics, microwaves, electronics, which are crucial for sensing, imaging, cloaking, lasing, absorbing, etc.

  9. An Application of the Multivariate Linear Mixed Model to the Analysis of Shoulder Complexity in Breast Cancer Patients

    PubMed Central

    Oskrochi, Gholamreza; Lesaffre, Emmanuel; Oskrochi, Youssof; Shamley, Delva

    2016-01-01

    In this study, four major muscles acting on the scapula were investigated in patients who had been treated in the last six years for unilateral carcinoma of the breast. Muscle activity was assessed by electromyography during abduction and adduction of the affected and unaffected arms. The main principal aim of the study was to compare shoulder muscle activity in the affected and unaffected shoulder during elevation of the arm. A multivariate linear mixed model was introduced and applied to address the principal aims. The result of fitting this model to the data shows a huge improvement as compared to the alternatives. PMID:26950134

  10. An Application of the Multivariate Linear Mixed Model to the Analysis of Shoulder Complexity in Breast Cancer Patients.

    PubMed

    Oskrochi, Gholamreza; Lesaffre, Emmanuel; Oskrochi, Youssof; Shamley, Delva

    2016-01-01

    In this study, four major muscles acting on the scapula were investigated in patients who had been treated in the last six years for unilateral carcinoma of the breast. Muscle activity was assessed by electromyography during abduction and adduction of the affected and unaffected arms. The main principal aim of the study was to compare shoulder muscle activity in the affected and unaffected shoulder during elevation of the arm. A multivariate linear mixed model was introduced and applied to address the principal aims. The result of fitting this model to the data shows a huge improvement as compared to the alternatives. PMID:26950134