The role played by self-orientational properties in nematics of colloids with molecules axially symmetric.

PubMed

Alarcón-Waess, O

2010-04-14

The self-orientational structure factor as well as the short-time self-orientational diffusion coefficient is computed for colloids composed by nonspherical molecules. To compute the short-time dynamics the hydrodynamic interactions are not taken into account. The hard molecules with at least one symmetry axis considered are: rods, spherocylinders, and tetragonal parallelepipeds. Because both orientational properties in study are written in terms of the second and fourth order parameters, these automatically hold the features of the order parameters. That is, they present a discontinuity for first order transitions, determining in this way the spinodal line. In order to analyze the nematic phase only, we choose the appropriate values for the representative quantities that characterize the molecules. Different formalisms are used to compute the structural properties: de Gennes-Landau approach, Smoluchowski equation and computer simulations. Some of the necessary inputs are taken from literature. Our results show that the self-orientational properties play an important role in the characterization and the localization of axially symmetric phases. While the self-structure decreases throughout the nematics, the short-time self-diffusion does not decrease but rather increases. We study the evolution of the second and fourth order parameters; we find different responses for axial and biaxial nematics, predicting the possibility of a biaxial nematics in tetragonal parallelepiped molecules. By considering the second order in the axial-biaxial phase transition, with the support of the self-orientational structure factor, we are able to propose the density at which this occurs. The short-time dynamics is able to predict a different value in the axial and the biaxial phases. Because the different behavior of the fourth order parameter, the diffusion coefficient is lower for a biaxial phase than for an axial one. Therefore the self-structure factor is able to localize

Nonlinear propagation of vector extremely short pulses in a medium of symmetric and asymmetric molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sazonov, S. V., E-mail: sazonov.sergey@gmail.com; Ustinov, N. V., E-mail: n-ustinov@mail.ru

The nonlinear propagation of extremely short electromagnetic pulses in a medium of symmetric and asymmetric molecules placed in static magnetic and electric fields is theoretically studied. Asymmetric molecules differ in that they have nonzero permanent dipole moments in stationary quantum states. A system of wave equations is derived for the ordinary and extraordinary components of pulses. It is shown that this system can be reduced in some cases to a system of coupled Ostrovsky equations and to the equation intagrable by the method for an inverse scattering transformation, including the vector version of the Ostrovsky–Vakhnenko equation. Different types of solutionsmore » of this system are considered. Only solutions representing the superposition of periodic solutions are single-valued, whereas soliton and breather solutions are multivalued.« less

Single molecule diffusion and the solution of the spherically symmetric residence time equation.

PubMed

Agmon, Noam

2011-06-16

The residence time of a single dye molecule diffusing within a laser spot is propotional to the total number of photons emitted by it. With this application in mind, we solve the spherically symmetric "residence time equation" (RTE) to obtain the solution for the Laplace transform of the mean residence time (MRT) within a d-dimensional ball, as a function of the initial location of the particle and the observation time. The solutions for initial conditions of potential experimental interest, starting in the center, on the surface or uniformly within the ball, are explicitly presented. Special cases for dimensions 1, 2, and 3 are obtained, which can be Laplace inverted analytically for d = 1 and 3. In addition, the analytic short- and long-time asymptotic behaviors of the MRT are derived and compared with the exact solutions for d = 1, 2, and 3. As a demonstration of the simplification afforded by the RTE, the Appendix obtains the residence time distribution by solving the Feynman-Kac equation, from which the MRT is obtained by differentiation. Single-molecule diffusion experiments could be devised to test the results for the MRT presented in this work. © 2011 American Chemical Society

Second rank direction cosine spherical tensor operators and the nuclear electric quadrupole hyperfine structure Hamiltonian of rotating molecules

NASA Astrophysics Data System (ADS)

di Lauro, C.

2018-03-01

Transformations of vector or tensor properties from a space-fixed to a molecule-fixed axis system are often required in the study of rotating molecules. Spherical components λμ,ν of a first rank irreducible tensor can be obtained from the direction cosines between the two axis systems, and a second rank tensor with spherical components λμ,ν(2) can be built from the direct product λ × λ. It is shown that the treatment of the interaction between molecular rotation and the electric quadrupole of a nucleus is greatly simplified, if the coefficients in the axis-system transformation of the gradient of the electric field of the outer charges at the coupled nucleus are arranged as spherical components λμ,ν(2). Then the reduced matrix elements of the field gradient operators in a symmetric top eigenfunction basis, including their dependence on the molecule-fixed z-angular momentum component k, can be determined from the knowledge of those of λ(2) . The hyperfine structure Hamiltonian Hq is expressed as the sum of terms characterized each by a value of the molecule-fixed index ν, whose matrix elements obey the rule Δk = ν. Some of these terms may vanish because of molecular symmetry, and the specific cases of linear and symmetric top molecules, orthorhombic molecules, and molecules with symmetry lower than orthorhombic are considered. Each ν-term consists of a contraction of the rotational tensor λ(2) and the nuclear quadrupole tensor in the space-fixed frame, and its matrix elements in the rotation-nuclear spin coupled representation can be determined by the standard spherical tensor methods.

Crankshafts: using simple, flat C2h-symmetric molecules to direct the assembly of chiral 2D nanopatterns.

PubMed

Zhou, Hui; Wuest, James D

2013-06-18

Linear D2h-symmetric bisisophthalic acids 1 and 2 and related substances have well-defined flattened structures, high affinities for graphite, and strong abilities to engage in specific intermolecular interactions. Their adsorption produces characteristic nanopatterns that reveal how 2D molecular organization can be controlled by reliable interadsorbate interactions such as hydrogen bonds when properly oriented by molecular geometry. In addition, the behavior of these compounds shows how large-scale organization can be obstructed by programming molecules to associate strongly according to competing motifs that have similar stability and can coexist smoothly without creating significant defects. Analogous new bisisophthalic acids 3a and 4a have similar associative properties, and their unique C2h-symmetric crankshaft geometry gives them the added ability to probe the poorly understood effect of chirality on molecular organization. Their adsorption shows how nanopatterns composed predictably of a single enantiomer can be obtained by depositing molecules that can respect established rules of association only by accepting neighbors of the same configuration. In addition, an analysis of the adsorption of crankshaft compounds 3a and 4a and their derivatives by STM reveals directly on the molecular level how kinetics and thermodynamics compete to control the crystallization of chiral compounds. In such ways, detailed studies of the adsorption of properly designed compounds on surfaces are proving to be a powerful way to discover and test rules that broadly govern molecular organization in both 2D and 3D.

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.

Extension of the measurement, assignment, and fit of the rotational spectrum of the two-top molecule methyl acetate

NASA Astrophysics Data System (ADS)

Nguyen, Ha Vinh Lam; Kleiner, Isabelle; Shipman, Steven T.; Mae, Yoshiaki; Hirose, Kazue; Hatanaka, Shota; Kobayashi, Kaori

2014-05-01

New and previous spectroscopic data were recorded for the two-top molecule methyl acetate using five spectrometers in four different labs: a room temperature chirped-pulse Fourier transform microwave (FTMW) spectrometer in the frequency range from 8.7 to 26.5 GHz, two molecular beam FTMW spectrometers (2-40 GHz), a free jet absorption Stark-modulated spectrometer (60-78 GHz), and a room temperature millimeter-wave spectrometer (44-68 GHz). Approximately 800 new lines with J up to 40 and K up to 16 were assigned. In total, 1603 lines were fitted with 34 parameters using an internal rotation Hamiltonian in the Rho Axis Method (RAM) and the program BELGI-Cs-2tops to standard deviations close to the experimental uncertainties. More precise determinations of the top-top interaction and the J, K dependent parameters were carried out.

Consistent assignment of the vibrations of symmetric and asymmetric meta-disubstituted benzenes

NASA Astrophysics Data System (ADS)

Kemp, David J.; Tuttle, William D.; Jones, Florence M. S.; Gardner, Adrian M.; Andrejeva, Anna; Wakefield, Jonathan C. A.; Wright, Timothy G.

2018-04-01

The assignment of vibrational structure in spectra gives valuable insights into geometric and electronic structure changes upon electronic excitation or ionization; particularly when such information is available for families of molecules. We give a description of the phenyl-ring-localized vibrational modes of the ground (S0) electronic states of sets of meta-disubstituted benzene molecules including both symmetrically- and asymmetrically-substituted cases. As in our earlier work on monosubstituted benzenes (Gardner and Wright, 2011), para-disubstituted benzenes (Andrejeva et al., 2016), and ortho-disubstituted benzenes (Tuttle et al., 2018), we conclude that the use of the commonly-used Wilson or Varsányi mode labels, which are based on the vibrational motions of benzene itself, is misleading and ambiguous. Instead, we label the phenyl-ring-localized modes consistently based upon the Mulliken (Herzberg) method for the modes of meta-difluorobenzene (mDFB) under Cs symmetry, since we wish the labelling scheme to cover both symmetrically- and asymmetrically-substituted molecules. By studying the vibrational wavenumbers obtained from the same force-field while varying the mass of the substituent, we are able to follow the evolving modes across a wide range of molecules and hence provide consistent assignments. We assign the vibrations of the following sets of molecules: the symmetric meta-dihalobenzenes, meta-xylene and resorcinol (meta-dihydroxybenzene); and the asymmetric meta-dihalobenzenes, meta-halotoluenes, meta-halophenols and meta-cresol. In the symmetrically-substituted species, we find two pairs of in-phase and out-of-phase carbon-substituent stretches, and this motion persists in asymmetrically-substituted molecules for heavier substituents; however, when at least one of the substituents is light, then we find that these evolve into localized carbon-substituent stretches.

Consistent assignment of the vibrations of symmetric and asymmetric ortho-disubstituted benzenes

NASA Astrophysics Data System (ADS)

Tuttle, William D.; Gardner, Adrian M.; Andrejeva, Anna; Kemp, David J.; Wakefield, Jonathan C. A.; Wright, Timothy G.

2018-02-01

The form of molecular vibrations, and changes in these, give valuable insights into geometric and electronic structure upon electronic excitation or ionization, and within families of molecules. Here, we give a description of the phenyl-ring-localized vibrational modes of the ground (S0) electronic states of a wide range of ortho-disubstituted benzene molecules including both symmetrically- and asymmetrically-substituted cases. We conclude that the use of the commonly-used Wilson or Varsányi mode labels, which are based on the vibrational motions of benzene itself, is misleading and ambiguous. In addition, we also find the use of the Mi labels for monosubstituted benzenes [A.M. Gardner, T.G. Wright. J. Chem. Phys. 135 (2011) 114305], or the recently-suggested labels for para-disubstituted benzenes [A. Andrejeva, A.M. Gardner, W.D. Tuttle, T.G. Wright, J. Molec. Spectrosc. 321, 28 (2016)] are not appropriate. Instead, we label the modes consistently based upon the Mulliken (Herzberg) method for the modes of ortho-difluorobenzene (pDFB) under Cs symmetry, since we wish the labelling scheme to cover both symmetrically- and asymmetrically-substituted molecules. By studying the vibrational wavenumbers from the same force field while varying the mass of the substituent, we are able to identify the corresponding modes across a wide range of molecules and hence provide consistent assignments. We assign the vibrations of the following sets of molecules: the symmetric o-dihalobenzenes, o-xylene and catechol (o-dihydroxybenzene); and the asymmetric o-dihalobenzenes, o-halotoluenes, o-halophenols and o-cresol. In the symmetrically-substituted species, we find a pair of in-phase and out-of-phase carbon-substituent stretches, and this motion persists in asymmetrically-substituted molecules for heavier substituents. When at least one of the substituents is light, then we find that these evolve into localized carbon-substituent stretches.

Strong-field ionization of linear molecules by a bicircular laser field: Symmetry considerations

NASA Astrophysics Data System (ADS)

Gazibegović-Busuladžić, A.; Busuladžić, M.; Hasović, E.; Becker, W.; Milošević, D. B.

2018-04-01

Using the improved molecular strong-field approximation, we investigate (high-order) above-threshold ionization [(H)ATI] of various linear polyatomic molecules by a two-color laser field of frequencies r ω and s ω (with integer numbers r and s ) having coplanar counter-rotating circularly polarized components (a so-called bicircular field). Reflection and rotational symmetries for molecules aligned in the laser-field polarization plane, analyzed for diatomic homonuclear molecules in Phys. Rev. A 95, 033411 (2017), 10.1103/PhysRevA.95.033411, are now considered for diatomic heteronuclear molecules and symmetric and asymmetric linear triatomic molecules. There are additional rotational symmetries for (H)ATI spectra of symmetric linear molecules compared to (H)ATI spectra of the asymmetric ones. It is shown that these symmetries manifest themselves differently for r +s odd and r +s even. For example, HATI spectra for symmetric molecules with r +s even obey inversion symmetry. For ATI spectra of linear molecules, reflection symmetry appears only for certain molecular orientation angles ±90∘-j r 180∘/(r +s ) (j integer). For symmetric linear molecules, reflection symmetry appears also for the angles -j r 180∘/(r +s ) . For perpendicular orientation of molecules with respect to the laser-field polarization plane, the HATI spectra are very similar to those of the atomic targets, i.e., both spectra are characterized by the same type of the (r +s )-fold symmetry.

Long-lived 1H singlet spin states originating from para-hydrogen in Cs-symmetric molecules stored for minutes in high magnetic fields.

PubMed

Franzoni, María Belén; Buljubasich, Lisandro; Spiess, Hans W; Münnemann, Kerstin

2012-06-27

Nuclear magnetic resonance (NMR) is a very powerful tool in physics, chemistry, and life sciences, although limited by low sensitivity. This problem can be overcome by hyperpolarization techniques dramatically enhancing the NMR signal. However, this approach is restricted to relatively short time scales depending on the nuclear spin-lattice relaxation time T(1) in the range of seconds. This makes long-lived singlet states very useful as a way to extend the hyperpolarization lifetimes. Para-hydrogen induced polarization (PHIP) is particularly suitable, because para-H(2) possesses singlet symmetry. Most PHIP experiments, however, are performed on asymmetric molecules, and the initial singlet state is directly converted to a NMR observable triplet state decaying with T(1), in the order of seconds. We demonstrate that in symmetric molecules, a long-lived singlet state created by PHIP can be stored for several minutes on protons in high magnetic fields. Subsequently, it is converted into observable high nonthermal magnetization by controlled singlet-triplet conversion via level anticrossing.

A new cue to figure-ground coding: top-bottom polarity.

PubMed

Hulleman, Johan; Humphreys, Glyn W

2004-11-01

We present evidence for a new figure-ground cue: top-bottom polarity. In an explicit reporting task, participants were more likely to interpret stimuli with a wide base and a narrow top as a figure. A similar advantage for wide-based stimuli also occurred in a visual short-term memory task, where the stimuli had ambiguous figure-ground relations. Further support comes from a figural search task. Figural search is a discrimination task in which participants are set to search for a symmetric target in a display with ambiguous figure-ground organization. We show that figural search was easier when stimuli with a top-bottom polarity were placed in an orientation where they had a wide base and a narrow top, relative to when this orientation was inverted. This polarity effect was present when participants were set to use color to parse figure from ground, and it was magnified when the participants did not have any foreknowledge of the color of the symmetric target. Taken together the results suggest that top-bottom polarity influences figure-ground assignment, with wide base stimuli being preferred as a figure. In addition, the figural search task can serve as a useful procedure to examine figure-ground assignment.

FTIR Rotational Spectroscopy.

ERIC Educational Resources Information Center

Woods, Ron; Henderson, Giles

1987-01-01

Presented are representative examples of the spectra and the analyses for a linear molecule (HC1), a symmetric top molecule (NH3), and an asymmetric top (H2O). Any combination of these projects could be incorporated in a physical chemistry or molecular spectroscopy laboratory. (RH)

SYVA: A program to analyze symmetry of molecules based on vector algebra

NASA Astrophysics Data System (ADS)

Gyevi-Nagy, László; Tasi, Gyula

2017-06-01

Symmetry is a useful concept in physics and chemistry. It can be used to find out some simple properties of a molecule or simplify complex calculations. In this paper a simple vector algebraic method is described to determine all symmetry elements of an arbitrary molecule. To carry out the symmetry analysis, a program has been written, which is also capable of generating the framework group of the molecule, revealing the symmetry properties of normal modes of vibration and symmetrizing the structure. To demonstrate the capabilities of the program, it is compared to other common widely used stand-alone symmetry analyzer (SYMMOL, Symmetrizer) and molecular modeling (NWChem, ORCA, MRCC) software. SYVA can generate input files for molecular modeling programs, e.g. Gaussian, using precisely symmetrized molecular structures. Possible applications are also demonstrated by integrating SYVA with the GAMESS and MRCC software.

Unidirectional flow over asymmetric and symmetric ripples

NASA Astrophysics Data System (ADS)

Wiberg, Patricia L.; Nelson, Jonathan M.

1992-08-01

An LDV-equipped flume has yielded detailed measurements of velocity and turbulence over fixed sets of two-dimensional symmetric and asymmetric ripples. The measured velocities over the ripples are compared with the Nelson and Smith (1989)results for flow over larger-scale dunes; the new results are larger in the outer region of the flow, and the velocity profiles exhibit no sharp inflection at the top of the lowest wake. A model for flow over bedforms which has yielded excellent agreement with dune measurements is presently modified to better represent the observed flow over ripples.

Controlling electric, magnetic, and chiral dipolar emission with PT-symmetric potentials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alaeian, Hadiseh; Dionne, Jennifer A.

We investigate the effect of parity-time (PT) symmetric optical potentials on the radiation of achiral and chiral dipole sources. Two properties unique to PT-symmetric potentials are observed. First, the dipole can be tuned to behave as a strong optical emitter or absorber based on the non-Hermiticity parameter and the dipole location. Second, exceptional points give rise to new system resonances that lead to orders-of-magnitude enhancements in the dipolar emitted or absorbed power. Utilizing these properties, we show that enantiomers of chiral molecules near PT-symmetric metamaterials exhibit a 4.5-fold difference in their emitted power and decay rate. The results of thismore » work could enable new atom-cavity interactions for quantum optics, as well as all-optical enantioselective separation.« less

Symmetric and anti-symmetric LS hyperon potentials from lattice QCD

NASA Astrophysics Data System (ADS)

Ishii, Noriyoshi; Murano, Keiko; Nemura, Hidekatsu; Sasaki, Kenji; Inoue, Takashi; HAL QCD Collaboration

2014-09-01

We present recent results of odd-parity hyperon-hyperon potentials from lattice QCD. By using HAL QCD method, we generate hyperon-hyperon potentials from Nambu-Bethe-Salpeter (NBS) wave functions generated by lattice QCD simulation in the flavor SU(3) limit. Potentials in the irreducible flavor SU(3) representations are combined to make a Lambda-N potential which has a strong symmetric LS potential and a weak anti-symmetric LS potential. We discuss a possible cancellation between symmetric and anti-symmetric LS (Lambda-N) potentials after the coupled Sigma-N sector is integrated out. We present recent results of odd-parity hyperon-hyperon potentials from lattice QCD. By using HAL QCD method, we generate hyperon-hyperon potentials from Nambu-Bethe-Salpeter (NBS) wave functions generated by lattice QCD simulation in the flavor SU(3) limit. Potentials in the irreducible flavor SU(3) representations are combined to make a Lambda-N potential which has a strong symmetric LS potential and a weak anti-symmetric LS potential. We discuss a possible cancellation between symmetric and anti-symmetric LS (Lambda-N) potentials after the coupled Sigma-N sector is integrated out. This work is supported by JSPS KAKENHI Grant Number 25400244.

Theoretical description of the mixed-field orientation of asymmetric-top molecules: A time-dependent study

NASA Astrophysics Data System (ADS)

Omiste, Juan J.; González-Férez, Rosario

2016-12-01

We present a theoretical study of the mixed-field-orientation of asymmetric-top molecules in tilted static electric field and nonresonant linearly polarized laser pulse by solving the time-dependent Schrödinger equation. Within this framework, we compute the mixed-field orientation of a state-selected molecular beam of benzonitrile (C7H5N ) and compare with the experimental observations [J. L. Hansen et al., Phys. Rev. A 83, 023406 (2011), 10.1103/PhysRevA.83.023406] and with our previous time-independent descriptions [J. J. Omiste et al., Phys. Chem. Chem. Phys. 13, 18815 (2011), 10.1039/c1cp21195a]. For an excited rotational state, we investigate the field-dressed dynamics for several field configurations as those used in the mixed-field experiments. The nonadiabatic phenomena and their consequences on the rotational dynamics are analyzed in detail.

Wave Engine Topping Cycle Assessment

NASA Technical Reports Server (NTRS)

Welch, Gerard E.

1996-01-01

The performance benefits derived by topping a gas turbine engine with a wave engine are assessed. The wave engine is a wave rotor that produces shaft power by exploiting gas dynamic energy exchange and flow turning. The wave engine is added to the baseline turboshaft engine while keeping high-pressure-turbine inlet conditions, compressor pressure ratio, engine mass flow rate, and cooling flow fractions fixed. Related work has focused on topping with pressure-exchangers (i.e., wave rotors that provide pressure gain with zero net shaft power output); however, more energy can be added to a wave-engine-topped cycle leading to greater engine specific-power-enhancement The energy addition occurs at a lower pressure in the wave-engine-topped cycle; thus the specific-fuel-consumption-enhancement effected by ideal wave engine topping is slightly lower than that effected by ideal pressure-exchanger topping. At a component level, however, flow turning affords the wave engine a degree-of-freedom relative to the pressure-exchanger that enables a more efficient match with the baseline engine. In some cases, therefore, the SFC-enhancement by wave engine topping is greater than that by pressure-exchanger topping. An ideal wave-rotor-characteristic is used to identify key wave engine design parameters and to contrast the wave engine and pressure-exchanger topping approaches. An aerodynamic design procedure is described in which wave engine design-point performance levels are computed using a one-dimensional wave rotor model. Wave engines using various wave cycles are considered including two-port cycles with on-rotor combustion (valved-combustors) and reverse-flow and through-flow four-port cycles with heat addition in conventional burners. A through-flow wave cycle design with symmetric blading is used to assess engine performance benefits. The wave-engine-topped turboshaft engine produces 16% more power than does a pressure-exchanger-topped engine under the specified topping

The polarization anisotropy of vibrational quantum beats in resonant pump-probe experiments: Diagrammatic calculations for square symmetric molecules.

PubMed

Farrow, Darcie A; Smith, Eric R; Qian, Wei; Jonas, David M

2008-11-07

By analogy to the Raman depolarization ratio, vibrational quantum beats in pump-probe experiments depend on the relative pump and probe laser beam polarizations in a way that reflects vibrational symmetry. The polarization signatures differ from those in spontaneous Raman scattering because the order of field-matter interactions is different. Since pump-probe experiments are sensitive to vibrations on excited electronic states, the polarization anisotropy of vibrational quantum beats can also reflect electronic relaxation processes. Diagrammatic treatments, which expand use of the symmetry of the two-photon tensor to treat signal pathways with vibrational and vibronic coherences, are applied to find the polarization anisotropy of vibrational and vibronic quantum beats in pump-probe experiments for different stages of electronic relaxation in square symmetric molecules. Asymmetric vibrational quantum beats can be distinguished from asymmetric vibronic quantum beats by a pi phase jump near the center of the electronic spectrum and their disappearance in the impulsive limit. Beyond identification of vibrational symmetry, the vibrational quantum beat anisotropy can be used to determine if components of a doubly degenerate electronic state are unrelaxed, dephased, population exchanged, or completely equilibrated.

Hypercubane: DFT-based prediction of an Oh-symmetric double-shell hydrocarbon

NASA Astrophysics Data System (ADS)

Pichierri, Fabio

2014-09-01

Using density functional theory we design a molecular analog of the four-dimensional hypercube or tesseract which we called hypercubane. The title hydrocarbon (C40H24) is Oh-symmetric like cubane and is characterized by a double-shell architecture. The perfluorinated analog of hypercubane also is stable with a positive value of the electron affinity. Removal of the C8 core from hypercubane yields a hollowed Oh-symmetric hydrocarbon with enough room to host a single atom/ion guest. The resonances of the NMR-active 13C and 1H nuclei have been computed so as to assist the spectroscopic identification of the predicted molecules.

Centrifugal distortion coefficients of asymmetric-top molecules: Reduction of the octic terms of the rotational Hamiltonian

NASA Astrophysics Data System (ADS)

Ramachandra Rao, Ch. V. S.

1983-11-01

The rotational Hamiltonian of an asymmetric-top molecule in its standard form, containing terms up to eighth degree in the components of the total angular momentum, is transformed by a unitary transformation with parameters Spqr to a reduced Hamiltonian so as to avoid the indeterminacies inherent in fitting the complete Hamiltonian to observed energy levels. Expressions are given for the nine determinable combinations of octic constants Θ' i ( i = 1 to 9) which are invariant under the unitary transformation. A method of reduction suitable for energy calculations by matrix diagonalization is considered. The relations between the coefficients of the transformed Hamiltonian, for suitable choice of the parameters Spqr, and those of the reduced Hamiltonian are given. This enables the determination of the nine octic constants Θ' i in terms of the experimental constants.

Symmetric Absorber-Coupled Far-Infrared Microwave Kinetic Inductance Detector

NASA Technical Reports Server (NTRS)

U-yen, Kongpop (Inventor); Wollack, Edward J. (Inventor); Brown, Ari D. (Inventor); Stevenson, Thomas R. (Inventor); Patel, Amil A. (Inventor)

2016-01-01

The present invention relates to a symmetric absorber-coupled far-infrared microwave kinetic inductance detector including: a membrane having an absorber disposed thereon in a symmetric cross bar pattern; and a microstrip including a plurality of conductor microstrip lines disposed along all edges of the membrane, and separated from a ground plane by the membrane. The conducting microstrip lines are made from niobium, and the pattern is made from a superconducting material with a transition temperature below niobium, including one of aluminum, titanium nitride, or molybdenum nitride. The pattern is disposed on both a top and a bottom of the membrane, and creates a parallel-plate coupled transmission line on the membrane that acts as a half-wavelength resonator at readout frequencies. The parallel-plate coupled transmission line and the conductor microstrip lines form a stepped impedance resonator. The pattern provides identical power absorption for both horizontal and vertical polarization signals.

Topological Analyses of Symmetric Eruptive Prominences

NASA Astrophysics Data System (ADS)

Panasenco, O.; Martin, S. F.

Erupting prominences (filaments) that we have analyzed from Hα Doppler data at Helio Research and from SOHO/EIT 304 Å, show strong coherency between their chirality, the direction of the vertical and lateral motions of the top of the prominences, and the directions of twisting of their legs. These coherent properties in erupting prominences occur in two patterns of opposite helicity; they constitute a form of dynamic chirality called the ``roll effect." Viewed from the positive network side as they erupt, many symmetrically-erupting dextral prominences develop rolling motion toward the observer along with right-hand helicity in the left leg and left-hand helicity in the right leg. Many symmetricaly-erupting sinistral prominences, also viewed from the positive network field side, have the opposite pattern: rolling motion at the top away from the observer, left-hand helical twist in the left leg, and right-hand twist in the right leg. We have analysed the motions seen in the famous movie of the ``Grand Daddy" erupting prominence and found that it has all the motions that define the roll effect. From our analyses of this and other symmetric erupting prominences, we show that the roll effect is an alternative to the popular hypothetical configuration of an eruptive prominence as a twisted flux rope or flux tube. Instead we find that a simple flat ribbon can be bent such that it reproduces nearly all of the observed forms. The flat ribbon is the most logical beginning topology because observed prominence spines already have this topology prior to eruption and an initial long magnetic ribbon with parallel, non-twisted threads, as a basic form, can be bent into many more and different geometrical forms than a flux rope.

A semi-classical approach to the calculation of highly excited rotational energies for asymmetric-top molecules

PubMed Central

Schmiedt, Hanno; Schlemmer, Stephan; Yurchenko, Sergey N.; Yachmenev, Andrey

2017-01-01

We report a new semi-classical method to compute highly excited rotational energy levels of an asymmetric-top molecule. The method forgoes the idea of a full quantum mechanical treatment of the ro-vibrational motion of the molecule. Instead, it employs a semi-classical Green's function approach to describe the rotational motion, while retaining a quantum mechanical description of the vibrations. Similar approaches have existed for some time, but the method proposed here has two novel features. First, inspired by the path integral method, periodic orbits in the phase space and tunneling paths are naturally obtained by means of molecular symmetry analysis. Second, the rigorous variational method is employed for the first time to describe the molecular vibrations. In addition, we present a new robust approach to generating rotational energy surfaces for vibrationally excited states; this is done in a fully quantum-mechanical, variational manner. The semi-classical approach of the present work is applied to calculating the energies of very highly excited rotational states and it reduces dramatically the computing time as well as the storage and memory requirements when compared to the fullly quantum-mechanical variational approach. Test calculations for excited states of SO2 yield semi-classical energies in very good agreement with the available experimental data and the results of fully quantum-mechanical calculations. PMID:28000807

Edge charge asymmetry in top pair production at the LHC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xiao Bo; Wang Youkai; Zhou Zhongqiu

2011-03-01

In this brief report, we propose a new definition of charge asymmetry in top pair production at the LHC, namely, the edge charge asymmetry (ECA). ECA utilizes the information of drifting direction only for single top (or antitop) with hadronic decay. Therefore, ECA can be free from the uncertainty arising from the missing neutrino in the tt event reconstruction. Moreover, rapidity Y of top (or antitop) is required to be greater than a critical value Y{sub C} in order to suppress the symmetric tt events mainly due to the gluon-gluon fusion process. In this paper, ECA is calculated up tomore » next-to-leading order QCD in the standard model and the choice of the optimal Y{sub C} is investigated.« less

Optimal control of the orientation and alignment of an asymmetric-top molecule with terahertz and laser pulses

NASA Astrophysics Data System (ADS)

Coudert, L. H.

2018-03-01

Quantum optimal control theory is applied to determine numerically the terahertz and nonresonant laser pulses leading, respectively, to the highest degree of orientation and alignment of the asymmetric-top H2S molecule. The optimized terahertz pulses retrieved for temperatures of zero and 50 K lead after 50 ps to an orientation with ⟨ΦZx⟩ = 0.959 73 and ⟨⟨ΦZx⟩⟩ = 0.742 30, respectively. For the zero temperature, the orientation is close to its maximum theoretical value; for the higher temperature, it is below the maximum theoretical value. The mechanism by which the terahertz pulse populates high lying rotational levels is elucidated. The 5 ps long optimized laser pulse calculated for a zero temperature leads to an alignment with ⟨ΦZy 2 ⟩ =0.944 16 and consists of several kick pulses with a duration of ≈0.1 ps. It is found that the timing of these kick pulses is such that it leads to an increase of the rotational energy of the molecule. The optimized laser pulse retrieved for a temperature of 20 K is 6 ps long and yields a lower alignment with ⟨⟨ΦZy 2 ⟩ ⟩ =0.717 20 .

Symmetry-Based Techniques for Qualitative Understanding of Rovibrational Effects in Spherical-Top Molecular Spectra and Dynamics

NASA Astrophysics Data System (ADS)

Mitchell, Justin Chadwick

2011-12-01

Using light to probe the structure of matter is as natural as opening our eyes. Modern physics and chemistry have turned this art into a rich science, measuring the delicate interactions possible at the molecular level. Perhaps the most commonly used tool in computational spectroscopy is that of matrix diagonalization. While this is invaluable for calculating everything from molecular structure and energy levels to dipole moments and dynamics, the process of numerical diagonalization is an opaque one. This work applies symmetry and semi-classical techniques to elucidate numerical spectral analysis for high-symmetry molecules. Semi-classical techniques, such as the Potential Energy Surfaces, have long been used to help understand molecular vibronic and rovibronic spectra and dynamics. This investigation focuses on newer semi-classical techniques that apply Rotational Energy Surfaces (RES) to rotational energy level clustering effects in high-symmetry molecules. Such clusters exist in rigid rotor molecules as well as deformable spherical tops. This study begins by using the simplicity of rigid symmetric top molecules to clarify the classical-quantum correspondence of RES semi-classical analysis and then extends it to a more precise and complete theory of modern high-resolution spectra. RES analysis is extended to molecules having more complex and higher rank tensorial rotational and rovibrational Hamiltonians than were possible to understand before. Such molecules are shown to produce an extraordinary range of rotational level clusters, corresponding to a panoply of symmetries ranging from C4v to C2 and C1 (no symmetry) with a corresponding range of new angular momentum localization and J-tunneling effects. Using RES topography analysis and the commutation duality relations between symmetry group operators in the lab-frame to those in the body-frame, it is shown how to better describe and catalog complex splittings found in rotational level clusters. Symmetry

Nanotrumpets and circularly polarized luminescent nanotwists hierarchically self-assembled from an achiral C3-symmetric ester.

PubMed

Sang, Yutao; Duan, Pengfei; Liu, Minghua

2018-04-17

An achiral C3-symmetric molecule was found to self-assemble into various hierarchical nanostructures such as nanotwists, nanotrumpets and nanobelts, in which the twisted fibers showed supramolecular chirality as well as circularly polarized luminescence although the compound is achiral.

A single-molecule diode.

PubMed

Elbing, Mark; Ochs, Rolf; Koentopp, Max; Fischer, Matthias; von Hänisch, Carsten; Weigend, Florian; Evers, Ferdinand; Weber, Heiko B; Mayor, Marcel

2005-06-21

We have designed and synthesized a molecular rod that consists of two weakly coupled electronic pi -systems with mutually shifted energy levels. The asymmetry thus implied manifests itself in a current-voltage characteristic with pronounced dependence on the sign of the bias voltage, which makes the molecule a prototype for a molecular diode. The individual molecules were immobilized by sulfur-gold bonds between both electrodes of a mechanically controlled break junction, and their electronic transport properties have been investigated. The results indeed show diode-like current-voltage characteristics. In contrast to that, control experiments with symmetric molecular rods consisting of two identical pi-systems did not show significant asymmetries in the transport properties. To investigate the underlying transport mechanism, phenomenological arguments are combined with calculations based on density functional theory. The theoretical analysis suggests that the bias dependence of the polarizability of the molecule feeds back into the current leading to an asymmetric shape of the current-voltage characteristics, similar to the phenomena in a semiconductor diode.

Correlated electron-nuclear dynamics in above-threshold multiphoton ionization of asymmetric molecule.

PubMed

Wang, Zhuo; Li, Min; Zhou, Yueming; Lan, Pengfei; Lu, Peixiang

2017-02-20

The partition of the photon energy into the subsystems of molecules determines many photon-induced chemical and physical dynamics in laser-molecule interactions. The electron-nuclear energy sharing from multiphoton ionization of molecules has been used to uncover the correlated dynamics of the electron and fragments. However, most previous studies focus on symmetric molecules. Here we study the electron-nuclear energy sharing in strong-field photoionization of HeH 2+ by solving the one-dimensional time-dependent Schrödinger equation (TDSE). Compared with symmetric molecules, the joint electron-nuclear energy spectrum (JES) of HeH 2+ reveals an anomalous energy shift at certain nuclear energies, while it disappears at higher and lower nuclear energies. Through tracing the time evolution of the wavepacket of bound states, we identify that this energy shift originates from the joint effect of the Stark shift, associated with the permanent dipole, and the Autler-Townes effect due to the coupling of the 2pσ and 2sσ states in strong fields. The energy shift in the JES appears at certain nuclear distances only when both Stark effect and Autler-Townes effect play important roles. We further demonstrate that the electron-nuclei energy sharing can be controlled by varying laser intensity for asymmetric molecules, providing alternative approaches to manipulate photochemical reactions for more complex molecules.

Weakly Interacting Symmetric and Anti-Symmetric States in the Bilayer Systems

NASA Astrophysics Data System (ADS)

Marchewka, M.; Sheregii, E. M.; Tralle, I.; Tomaka, G.; Ploch, D.

We have studied the parallel magneto-transport in DQW-structures of two different potential shapes: quasi-rectangular and quasi-triangular. The quantum beats effect was observed in Shubnikov-de Haas (SdH) oscillations for both types of the DQW structures in perpendicular magnetic filed arrangement. We developed a special scheme for the Landau levels energies calculation by means of which we carried out the necessary simulations of beating effect. In order to obtain the agreement between our experimental data and the results of simulations, we introduced two different quasi-Fermi levels which characterize symmetric and anti-symmetric states in DQWs. The existence of two different quasi Fermi-Levels simply means, that one can treat two sub-systems (charge carriers characterized by symmetric and anti-symmetric wave functions) as weakly interacting and having their own rate of establishing the equilibrium state.

Effects on Calculated Half-Widths and Shifts from the Line Coupling for Asymmetric-Top Molecules

NASA Technical Reports Server (NTRS)

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

2014-01-01

The refinement of the Robert-Bonamy formalism by considering the line coupling for linear molecules developed in our previous studies [Q. Ma, C. Boulet, and R. H. Tipping, J. Chem. Phys. 139, 034305 (2013); 140, 104304 (2014)] have been extended to asymmetric-top molecules. For H2O immersed in N2 bath, the line coupling selection rules applicable for the pure rotational band to determine whether two specified lines are coupled or not are established. Meanwhile, because the coupling strengths are determined by relative importance of off-diagonal matrix elements versus diagonal elements of the operator -iS1 -S2, quantitative tools are developed with which one is able to remove weakly coupled lines from consideration. By applying these tools, we have found that within reasonable tolerances, most of the H2O lines in the pure rotational band are not coupled. This reflects the fact that differences of energy levels of the H2O states are pretty large. But, there are several dozen strongly coupled lines and they can be categorized into different groups such that the line couplings occur only within the same groups. In practice, to identify those strongly coupled lines and to confine them into sub-linespaces are crucial steps in considering the line coupling. We have calculated half-widths and shifts for some groups, including the line coupling. Based on these calculations, one can conclude that for most of the H2O lines, it is unnecessary to consider the line coupling. However, for several dozens of lines, effects on the calculated half-widths from the line coupling are small, but remain noticeable and reductions of calculated half-widths due to including the line coupling could reach to 5%. Meanwhile, effects on the calculated shifts are very significant and variations of calculated shifts could be as large as 25%.

Effect of intermolecular dipole-dipole interactions on interfacial supramolecular structures of C3-symmetric hexa-peri-hexabenzocoronene derivatives.

PubMed

Mu, Zhongcheng; Shao, Qi; Ye, Jun; Zeng, Zebing; Zhao, Yang; Hng, Huey Hoon; Boey, Freddy Yin Chiang; Wu, Jishan; Chen, Xiaodong

2011-02-15

Two-dimensional (2D) supramolecular assemblies of a series of novel C(3)-symmetric hexa-peri-hexabenzocoronene (HBC) derivatives bearing different substituents adsorbed on highly oriented pyrolytic graphite were studied by using scanning tunneling microscopy at a solid-liquid interface. It was found that the intermolecular dipole-dipole interactions play a critical role in controlling the interfacial supramolecular assembly of these C(3)-symmetric HBC derivatives at the solid-liquid interface. The HBC molecule bearing three -CF(3) groups could form 2D honeycomb structures because of antiparallel dipole-dipole interactions, whereas HBC molecules bearing three -CN or -NO(2) groups could form hexagonal superstructures because of a special trimeric arrangement induced by dipole-dipole interactions and weak hydrogen bonding interactions ([C-H···NC-] or [C-H···O(2)N-]). Molecular mechanics and dynamics simulations were performed to reveal the physics behind the 2D structures as well as detailed functional group interactions. This work provides an example of how intermolecular dipole-dipole interactions could enable fine control over the self-assembly of disklike π-conjugated molecules.

Complex Dipolar Matter

DTIC Science & Technology

2014-11-10

opportunities for advanced material development and quantum simulators. These molecules include (1) the already quantum degenerate bi- alkali singlet sigma...case potassium-rubidium (KRb) and related molecules; (2) opto-electrically trapped symmetric top molecules soon to reach quantum degeneracy and...rubidium; (C) a correction of phase diagrams for dipolar gases necessary to understand experimental measurements and build accurate quantum simulators

Resolving metal-molecule interfaces at single-molecule junctions

NASA Astrophysics Data System (ADS)

Komoto, Yuki; Fujii, Shintaro; Nakamura, Hisao; Tada, Tomofumi; Nishino, Tomoaki; Kiguchi, Manabu

2016-05-01

Electronic and structural detail at the electrode-molecule interface have a significant influence on charge transport across molecular junctions. Despite the decisive role of the metal-molecule interface, a complete electronic and structural characterization of the interface remains a challenge. This is in no small part due to current experimental limitations. Here, we present a comprehensive approach to obtain a detailed description of the metal-molecule interface in single-molecule junctions, based on current-voltage (I-V) measurements. Contrary to conventional conductance studies, this I-V approach provides a correlated statistical description of both, the degree of electronic coupling across the metal-molecule interface, and the energy alignment between the conduction orbital and the Fermi level of the electrode. This exhaustive statistical approach was employed to study single-molecule junctions of 1,4-benzenediamine (BDA), 1,4-butanediamine (C4DA), and 1,4-benzenedithiol (BDT). A single interfacial configuration was observed for both BDA and C4DA junctions, while three different interfacial arrangements were resolved for BDT. This multiplicity is due to different molecular adsorption sites on the Au surface namely on-top, hollow, and bridge. Furthermore, C4DA junctions present a fluctuating I-V curve arising from the greater conformational freedom of the saturated alkyl chain, in sharp contrast with the rigid aromatic backbone of both BDA and BDT.

Printed Antenna Array with Flat-Top Radiation Pattern

NASA Astrophysics Data System (ADS)

Milijić, Marija R.; Nešić, Aleksandar D.; Milovanović, Bratislav D.; Nešić, Dušan A.

2018-04-01

A printed antenna array consisting of 10 wideband symmetrical pentagonal dipoles is presented. The feed network of impedance transformers is employed to provide appropriate amplitude and phase distribution necessary to obtain flat top beam pattern. The measured results demonstrate excellent radiation characteristics including 38° flat gain region with maximum ripple of 3.5 dB at the centre frequency. Furthermore, the proposed antenna that is placed in corner reflector with angle of 60° has good gain (17 dBi) and side lobe suppression (18.9 dB). Although it is designed at the centre frequency fc=12 GHz, it was shown to be capable of shaping a good flat top radiation pattern within a fractional bandwidth at least 6 % of centre frequency. Also, proposed antenna features cheap, simple and easy fabrication that makes it suitable for mass production.

Cloud-top height retrieval from polarizing remote sensor POLDER

NASA Astrophysics Data System (ADS)

He, Xianqiang; Pan, Delu; Yan, Bai; Mao, Zhihua

2006-10-01

A new cloud-top height retrieval method is proposed by using polarizing remote sensing. In cloudy conditions, it shows that, in purple and blue bands, linear polarizing radiance at the top-of-atmosphere (TOA) is mainly contributed by Rayleigh scattering of the atmosphere's molecules above cloud, and the contribution by cloud reflection and aerosol scattering can be neglected. With such characteristics, the basis principle and method of cloud-top height retrieval using polarizing remote sensing are presented in detail, and tested by the polarizing remote sensing data of POLDER. The satellite-derived cloud-top height product can not only show the distribution of global cloud-top height, but also obtain the cloud-top height distribution of moderate-scale meteorological phenomena like hurricanes and typhoons. This new method is promising to become the operational algorithm for cloud-top height retrieval for POLDER and the future polarizing remote sensing satellites.

Cytotoxicity evaluation of symmetrically branched glycerol trimer in human hepatocellular carcinoma HepG2 cells.

PubMed

Miyamoto, Licht; Watanabe, Masashi; Kono, Mai; Matsushita, Tsuyoshi; Hattori, Hatsuhiko; Ishizawa, Keisuke; Nemoto, Hisao; Tsuchiya, Koichiro

2012-01-01

An appropriate balance between lipophilicity and hydrophilicity is necessary for pharmaceuticals to achieve fine Absorption, Distribution, Metabolism and Excretion (ADME) properties including absorption and distribution, in particular. We have designed and proposed symmetrically branched oligoglycerols (BGL) as an alternative approach to improve the lipophilic-hydrophilic balance. We have previously shown that stability in circulation and water-solubility of such molecules as proteins, liposomes and hydrophobic compounds are much improved by conjugation to BGL. Albeit these successful applications of BGL, little was known whether BGL could be used in safety. Thus we conducted evaluation of the cytotoxicity of a representative BGL, symmetrically branched glycerol trimer (BGL003) in the cultured cells to clarify its biological safeness. Here we demonstrate that water-solubility of an extremely hydrophobic agent, fenofibrate was more than 2,000-fold improved just by conjugated with BGL003. BGL003 did not exhibit any significant cytotoxicity in human hepatocarcinoma HepG2 cells. Thus BGL003 should be safe and suitable strategy to endow hydrophobic molecules with much hydrophilicity.

A single-molecule diode

PubMed Central

Elbing, Mark; Ochs, Rolf; Koentopp, Max; Fischer, Matthias; von Hänisch, Carsten; Weigend, Florian; Evers, Ferdinand; Weber, Heiko B.; Mayor, Marcel

2005-01-01

We have designed and synthesized a molecular rod that consists of two weakly coupled electronic π -systems with mutually shifted energy levels. The asymmetry thus implied manifests itself in a current–voltage characteristic with pronounced dependence on the sign of the bias voltage, which makes the molecule a prototype for a molecular diode. The individual molecules were immobilized by sulfur–gold bonds between both electrodes of a mechanically controlled break junction, and their electronic transport properties have been investigated. The results indeed show diode-like current–voltage characteristics. In contrast to that, control experiments with symmetric molecular rods consisting of two identical π -systems did not show significant asymmetries in the transport properties. To investigate the underlying transport mechanism, phenomenological arguments are combined with calculations based on density functional theory. The theoretical analysis suggests that the bias dependence of the polarizability of the molecule feeds back into the current leading to an asymmetric shape of the current–voltage characteristics, similar to the phenomena in a semiconductor diode. PMID:15956208

Symmetric Decomposition of Asymmetric Games.

PubMed

Tuyls, Karl; Pérolat, Julien; Lanctot, Marc; Ostrovski, Georg; Savani, Rahul; Leibo, Joel Z; Ord, Toby; Graepel, Thore; Legg, Shane

2018-01-17

We introduce new theoretical insights into two-population asymmetric games allowing for an elegant symmetric decomposition into two single population symmetric games. Specifically, we show how an asymmetric bimatrix game (A,B) can be decomposed into its symmetric counterparts by envisioning and investigating the payoff tables (A and B) that constitute the asymmetric game, as two independent, single population, symmetric games. We reveal several surprising formal relationships between an asymmetric two-population game and its symmetric single population counterparts, which facilitate a convenient analysis of the original asymmetric game due to the dimensionality reduction of the decomposition. The main finding reveals that if (x,y) is a Nash equilibrium of an asymmetric game (A,B), this implies that y is a Nash equilibrium of the symmetric counterpart game determined by payoff table A, and x is a Nash equilibrium of the symmetric counterpart game determined by payoff table B. Also the reverse holds and combinations of Nash equilibria of the counterpart games form Nash equilibria of the asymmetric game. We illustrate how these formal relationships aid in identifying and analysing the Nash structure of asymmetric games, by examining the evolutionary dynamics of the simpler counterpart games in several canonical examples.

Enhancement of Raman scattering signal of a few molecules using photonic nanojet mediated SERS technique

DOE Office of Scientific and Technical Information (OSTI.GOV)

Das, G. M.; Parit, M. K.; Laha, R.

2016-05-06

Now a days, single molecule surface enhanced Raman spectroscopy (SMSERS) has become a fascinating tool for studying the structural properties, static and dynamic events of single molecules (instead of ensemble average), with the help of efficient plasmonic nanostructures. This is extremely useful in the field of proteomics because the structural properties of protein molecules are heterogeneous. Even though, SMSERS provides wealthy information about single molecules, it demands high quality surface enhanced Raman scattering (SERS) substrates. So far, a very few researchers succeeded in demonstrating the single molecule Raman scattering using conventional SERS technique. However, the experimental S/N of the Ramanmore » signal has been found to be very poor. Recently, with the help of photonic nanojet of an optical microsphere, we were able to enhance the SERS signal of a few molecules adsorbed on the SERS substrates (gold symmetric and asymmetric nanodimers and trimers dispersed on a glass slide). Herein, we report a few details about photonic nanojet mediated SERS technique, a few experimental results and a detailed theoretical study on symmetric and asymmetric nanosphere dimers to understand the dependence of localised surface plasmon resonance (LSPR) wavelength of a nanodimer on the nanogap size and polarization of the excitation light.« less

Calculation of the vibration-rotational transition intensities of water molecules trapped in an argon matrix: stretching O-H vibrations spectral region

NASA Astrophysics Data System (ADS)

Pitsevich, George; Shalamberidze, Elena; Malevich, Alex; Sablinskas, Valdas; Balevicius, Vytautas; Pettersson, Lars G. M.

2017-10-01

The frequencies and intensities of vibration-rotational transitions of water molecules in an argon matrix were calculated for temperatures of 6 and 30 K. The rigid asymmetric top approximation was used with available literature values of the effective rotational constants in the ground and excited vibrational states. The calculations were carried out by taking into account the existence of a non-equilibrium population distribution between the rotational levels of ortho- and para-water isomers. It was assumed that the temperature relaxation of the population of rotational levels is independent of the ortho- and para-isomers. Comparison of the results of the theoretical calculations with experimental literature data shows good agreement for the majority of the rotational structure lines for symmetric and antisymmetric stretching vibrations both in the frequency values and in the values of the relative intensities.

Dual formulation of covariant nonlinear duality-symmetric action of kappa-symmetric D3-brane

NASA Astrophysics Data System (ADS)

Vanichchapongjaroen, Pichet

2018-02-01

We study the construction of covariant nonlinear duality-symmetric actions in dual formulation. Essentially, the construction is the PST-covariantisation and nonlinearisation of Zwanziger action. The covariantisation made use of three auxiliary scalar fields. Apart from these, the construction proceed in a similar way to that of the standard formulation. For example, the theories can be extended to include interactions with external fields, and that the theories possess two local PST symmetries. We then explicitly demonstrate the construction of covariant nonlinear duality-symmetric actions in dual formulation of DBI theory, and D3-brane. For each of these theories, the twisted selfduality condition obtained from duality-symmetric actions are explicitly shown to match with the duality relation between field strength and its dual from the one-potential actions. Their on-shell actions between the duality-symmetric and the one-potential versions are also shown to match. We also explicitly prove kappa-symmetry of the covariant nonlinear duality-symmetric D3-brane action in dual formulation.

Effects on calculated half-widths and shifts from the line coupling for asymmetric-top molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

2014-06-28

The refinement of the Robert-Bonamy formalism by considering the line coupling for linear molecules developed in our previous studies [Q. Ma, C. Boulet, and R. H. Tipping, J. Chem. Phys. 139, 034305 (2013); 140, 104304 (2014)] have been extended to asymmetric-top molecules. For H{sub 2}O immersed in N{sub 2} bath, the line coupling selection rules applicable for the pure rotational band to determine whether two specified lines are coupled or not are established. Meanwhile, because the coupling strengths are determined by relative importance of off-diagonal matrix elements versus diagonal elements of the operator −iS{sub 1} − S{sub 2}, quantitative toolsmore » are developed with which one is able to remove weakly coupled lines from consideration. By applying these tools, we have found that within reasonable tolerances, most of the H{sub 2}O lines in the pure rotational band are not coupled. This reflects the fact that differences of energy levels of the H{sub 2}O states are pretty large. But, there are several dozen strongly coupled lines and they can be categorized into different groups such that the line couplings occur only within the same groups. In practice, to identify those strongly coupled lines and to confine them into sub-linespaces are crucial steps in considering the line coupling. We have calculated half-widths and shifts for some groups, including the line coupling. Based on these calculations, one can conclude that for most of the H{sub 2}O lines, it is unnecessary to consider the line coupling. However, for several dozens of lines, effects on the calculated half-widths from the line coupling are small, but remain noticeable and reductions of calculated half-widths due to including the line coupling could reach to 5%. Meanwhile, effects on the calculated shifts are very significant and variations of calculated shifts could be as large as 25%.« less

Symmetric Resonance Charge Exchange Cross Section Based on Impact Parameter Treatment

NASA Technical Reports Server (NTRS)

Omidvar, Kazem; Murphy, Kendrah; Atlas, Robert (Technical Monitor)

2002-01-01

Using a two-state impact parameter approximation, a calculation has been carried out to obtain symmetric resonance charge transfer cross sections between nine ions and their parent atoms or molecules. Calculation is based on a two-dimensional numerical integration. The method is mostly suited for hydrogenic and some closed shell atoms. Good agreement has been obtained with the results of laboratory measurements for the ion-atom pairs H+-H, He+-He, and Ar+-Ar. Several approximations in a similar published calculation have been eliminated.

Quantum rotor model for a Bose-Einstein condensate of dipolar molecules.

PubMed

Armaitis, J; Duine, R A; Stoof, H T C

2013-11-22

We show that a Bose-Einstein condensate of heteronuclear molecules in the regime of small and static electric fields is described by a quantum rotor model for the macroscopic electric dipole moment of the molecular gas cloud. We solve this model exactly and find the symmetric, i.e., rotationally invariant, and dipolar phases expected from the single-molecule problem, but also an axial and planar nematic phase due to many-body effects. Investigation of the wave function of the macroscopic dipole moment also reveals squeezing of the probability distribution for the angular momentum of the molecules.

Quantum Behavior of Water Molecules Confined to Nanocavities in Gemstones.

PubMed

Gorshunov, Boris P; Zhukova, Elena S; Torgashev, Victor I; Lebedev, Vladimir V; Shakurov, Gil'man S; Kremer, Reinhard K; Pestrjakov, Efim V; Thomas, Victor G; Fursenko, Dimitry A; Dressel, Martin

2013-06-20

When water is confined to nanocavities, its quantum mechanical behavior can be revealed by terahertz spectroscopy. We place H2O molecules in the nanopores of a beryl crystal lattice and observe a rich and highly anisotropic set of absorption lines in the terahertz spectral range. Two bands can be identified, which originate from translational and librational motions of the water molecule isolated within the cage; they correspond to the analogous broad bands in liquid water and ice. In the present case of well-defined and highly symmetric nanocavities, the observed fine structure can be explained by macroscopic tunneling of the H2O molecules within a six-fold potential caused by the interaction of the molecule with the cavity walls.

Molecular theory for self assembling mixtures of patchy colloids and colloids with spherically symmetric attractions: The single patch case

NASA Astrophysics Data System (ADS)

Marshall, Bennett D.; Chapman, Walter G.

2013-09-01

In this work we develop a new theory to model self assembling mixtures of single patch colloids and colloids with spherically symmetric attractions. In the development of the theory we restrict the interactions such that there are short ranged attractions between patchy and spherically symmetric colloids, but patchy colloids do not attract patchy colloids and spherically symmetric colloids do not attract spherically symmetric colloids. This results in the temperature, density, and composition dependent reversible self assembly of the mixture into colloidal star molecules. This type of mixture has been recently synthesized by grafting of complimentary single stranded DNA [L. Feng, R. Dreyfus, R. Sha, N. C. Seeman, and P. M. Chaikin, Adv. Mater. 25(20), 2779-2783 (2013)], 10.1002/adma.201204864. As a quantitative test of the theory, we perform new monte carlo simulations to study the self assembly of these mixtures; theory and simulation are found to be in excellent agreement.

Critical Assessment of Small Molecule Identification 2016: automated methods.

PubMed

Schymanski, Emma L; Ruttkies, Christoph; Krauss, Martin; Brouard, Céline; Kind, Tobias; Dührkop, Kai; Allen, Felicity; Vaniya, Arpana; Verdegem, Dries; Böcker, Sebastian; Rousu, Juho; Shen, Huibin; Tsugawa, Hiroshi; Sajed, Tanvir; Fiehn, Oliver; Ghesquière, Bart; Neumann, Steffen

2017-03-27

The fourth round of the Critical Assessment of Small Molecule Identification (CASMI) Contest ( www.casmi-contest.org ) was held in 2016, with two new categories for automated methods. This article covers the 208 challenges in Categories 2 and 3, without and with metadata, from organization, participation, results and post-contest evaluation of CASMI 2016 through to perspectives for future contests and small molecule annotation/identification. The Input Output Kernel Regression (CSI:IOKR) machine learning approach performed best in "Category 2: Best Automatic Structural Identification-In Silico Fragmentation Only", won by Team Brouard with 41% challenge wins. The winner of "Category 3: Best Automatic Structural Identification-Full Information" was Team Kind (MS-FINDER), with 76% challenge wins. The best methods were able to achieve over 30% Top 1 ranks in Category 2, with all methods ranking the correct candidate in the Top 10 in around 50% of challenges. This success rate rose to 70% Top 1 ranks in Category 3, with candidates in the Top 10 in over 80% of the challenges. The machine learning and chemistry-based approaches are shown to perform in complementary ways. The improvement in (semi-)automated fragmentation methods for small molecule identification has been substantial. The achieved high rates of correct candidates in the Top 1 and Top 10, despite large candidate numbers, open up great possibilities for high-throughput annotation of untargeted analysis for "known unknowns". As more high quality training data becomes available, the improvements in machine learning methods will likely continue, but the alternative approaches still provide valuable complementary information. Improved integration of experimental context will also improve identification success further for "real life" annotations. The true "unknown unknowns" remain to be evaluated in future CASMI contests. Graphical abstract .

Imaging and controlling proton motion in molecules

NASA Astrophysics Data System (ADS)

Ibrahim, H.; Beaulieu, S.; Wanie, V.; Endo, T.; Wales, B.; Tong, X.-M.; Schuurman, M. S.; Sanderson, J.; Légaré, F.

2017-11-01

How do atoms move within a molecule? What are the paths they take? Coulomb Explosion Imaging combined with a multi-color pump probe scheme allows us to address these questions with a table top setup. Since the momentum information of molecular fragments is preserved at the moment of explosion, we can deduce the fragment's momentary position, representing the structure of the molecule. We have studied isomerization and dissociation events through the movement of protons, deuterons and electrons, taking advantage of the rich statistics this technique provides. In the case of proton migration in the acetylene cation, we were able to identify an isotope dependent to- and fro isomerization behavior [1]. Presently, we are expanding our studies on more complex processes. Aside from passively studying dynamics, we have also actively controlled the electron localization in small molecules [2] using two-color mid-infrared asymmetric laser fields. The manipulation of protons, the lightest atomic fragments in molecules, is of great interest due to the tremendous diversity of molecules containing them, in combination with the generality of how protons behave within molecules. Their detection involves certain challenges since they move extremely fast compared to heavier atoms. Here, we focus on two different proton motions which are triggered by excitation with ultrashort laser pulses and imaged with the Coulomb explosion imaging (CEI) technique. First, we will discuss proton migration dynamics in the acetylene cation launched due to strong field multiphoton ionization with UV pulses in a rather simple table top approach. Second, we will concentrate on controlling electron localization - and thus proton localization - in the cation of the hydrogen molecule by using an asymmetric two color field in the mid-infrared (MIR).

PT -symmetric slowing down of decoherence

DOE PAGES

Gardas, Bartlomiej; Deffner, Sebastian; Saxena, Avadh Behari

2016-10-27

Here, we invesmore » tigate PT -symmetric quantum systems ultraweakly coupled to an environment. We find that such open systems evolve under PT -symmetric, purely dephasing and unital dynamics. The dynamical map describing the evolution is then determined explicitly using a quantum canonical transformation. Furthermore, we provide an explanation of why PT -symmetric dephasing-type interactions lead to a critical slowing down of decoherence. This effect is further exemplified with an experimentally relevant system, a PT -symmetric qubit easily realizable, e.g., in optical or microcavity experiments.« less

PT -symmetric slowing down of decoherence

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gardas, Bartlomiej; Deffner, Sebastian; Saxena, Avadh Behari

Here, we invesmore » tigate PT -symmetric quantum systems ultraweakly coupled to an environment. We find that such open systems evolve under PT -symmetric, purely dephasing and unital dynamics. The dynamical map describing the evolution is then determined explicitly using a quantum canonical transformation. Furthermore, we provide an explanation of why PT -symmetric dephasing-type interactions lead to a critical slowing down of decoherence. This effect is further exemplified with an experimentally relevant system, a PT -symmetric qubit easily realizable, e.g., in optical or microcavity experiments.« less

Quantum interference in multi-branched molecules: The exact transfer matrix solutions.

PubMed

Jiang, Yu

2017-12-07

We present a transfer matrix formalism for studying quantum interference in a single molecule electronic system with internal branched structures. Based on the Schrödinger equation with the Bethe ansatz and employing Kirchhoff's rule for quantum wires, we derive a general closed-form expression for the transmission and reflection amplitudes of a two-port quantum network. We show that the transport through a molecule with complex internal structures can be reduced to that of a single two-port scattering unit, which contains all the information of the original composite molecule. Our method allows for the calculation of the transmission coefficient for various types of individual molecular modules giving rise to different resonant transport behaviors such as the Breit-Wigner, Fano, and Mach-Zehnder resonances. As an illustration, we first re-derive the transmittance of the Aharonov-Bohm ring, and then we apply our formulation to N identical parity-time (PT)-symmetric potentials, connected in series as well as in parallel. It is shown that the spectral singularities and PT-symmetric transitions of single scattering cells may be observed in coupled systems. Such transitions may occur at the same or distinct values of the critical parameters, depending on the connection modes under which the scattering objects are coupled.

Transport of water molecules through noncylindrical pores in multilayer nanoporous graphene.

PubMed

Shahbabaei, Majid; Kim, Daejoong

2017-08-09

In this study, molecular dynamics (MD) simulations are used to examine the water transport properties through asymmetric hourglass-shaped pores in multilayer nanoporous graphene with a constant interlayer separation of 6 Å. The properties of the tested asymmetric hourglass-shaped pores [with the models having long cone (l 1 , -P) and short cone (l 2 , +P) entrances] are compared to a symmetric pore model. The study findings indicate that the water occupancy increases across the asymmetric pore (l 1 , -P) compared to (l 2 , +P), because of the length effect. The asymmetric pore, (l 1 , -P), yields higher flux compared to (l 2 , +P) and even the symmetric model, which can be attributed to the increase in the hydrogen bonds. In addition, the single-file water molecules across the narrowest pore diameter inside the (l 2 , +P) pore exhibit higher viscosity compared to those in the (l 1 , -P) pore because of the increase in the water layering effect. Moreover, it is found that the permeability inside the multilayer hourglass-shaped pore depends on the length of the flow path of the water molecules before approaching the layer with the smallest pore diameter. The probability of dipole orientation exhibits wider distribution inside the (l 1 , -P) system compared to (l 2 , +P), implying an enhanced formation of hydrogen bonding of water molecules. This results in the fast flow of water molecules. The MD trajectory shows that the dipole orientation across the single-layer graphene has frequently flipped compared to the dipole orientation across the pores in multilayer graphene, which is maintained during the whole simulation time (although the dipole orientation has flipped for a few picoseconds at the beginning of the simulation). This can be attributed to the energy barrier induced by the individual layer. The diffusion coefficient of water molecules inside the (l 2 , +P) system increases with pressure difference, however, it decreases inside the (l 1 , -P) system because

Nonthermal and geometric effects on the symmetric and anti-symmetric surface waves in a Lorentzian dusty plasma slab

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Myoung-Jae; Jung, Young-Dae, E-mail: ydjung@hanyang.ac.kr; Department of Applied Physics and Department of Bionanotechnology, Hanyang University, Ansan, Kyunggi-Do 426-791

2015-02-15

The nonthermal and geometric effects on the propagation of the surface dust acoustic waves are investigated in a Lorentzian dusty plasma slab. The symmetric and anti-symmetric dispersion modes of the dust acoustic waves are obtained by the plasma dielectric function with the spectral reflection conditions the slab geometry. The variation of the nonthermal and geometric effects on the symmetric and the anti-symmetric modes of the surface plasma waves is also discussed.

How to read and write mechanical information in DNA molecules

NASA Astrophysics Data System (ADS)

Schiessel, Helmut

In this talk I will show that DNA molecules contain another layer of information on top of the classical genetic information. This different type of information is of mechanical nature and guides the folding of DNA molecules inside cells. With the help of a new Monte Carlo technique, the Mutation Monte Carlo method, we demonstrate that the two layers of information can be multiplexed (as one can have two phone conversations on the same wire). For instance, we can guide on top of genes with single base-pair precision the packaging of DNA into nucleosomes. Finally, we study the mechanical properties of DNA molecules belonging to organisms all across the tree of life. From this we learn that in multicellular organisms the stiffness of DNA around transcription start sites differs dramatically from that of unicellular life. The reason for this difference is surprising.

View-tolerant face recognition and Hebbian learning imply mirror-symmetric neural tuning to head orientation

PubMed Central

Leibo, Joel Z.; Liao, Qianli; Freiwald, Winrich A.; Anselmi, Fabio; Poggio, Tomaso

2017-01-01

SUMMARY The primate brain contains a hierarchy of visual areas, dubbed the ventral stream, which rapidly computes object representations that are both specific for object identity and robust against identity-preserving transformations like depth-rotations [1, 2]. Current computational models of object recognition, including recent deep learning networks, generate these properties through a hierarchy of alternating selectivity-increasing filtering and tolerance-increasing pooling operations, similar to simple-complex cells operations [3, 4, 5, 6]. Here we prove that a class of hierarchical architectures and a broad set of biologically plausible learning rules generate approximate invariance to identity-preserving transformations at the top level of the processing hierarchy. However, all past models tested failed to reproduce the most salient property of an intermediate representation of a three-level face-processing hierarchy in the brain: mirror-symmetric tuning to head orientation [7]. Here we demonstrate that one specific biologically-plausible Hebb-type learning rule generates mirror-symmetric tuning to bilaterally symmetric stimuli like faces at intermediate levels of the architecture and show why it does so. Thus the tuning properties of individual cells inside the visual stream appear to result from group properties of the stimuli they encode and to reflect the learning rules that sculpted the information-processing system within which they reside. PMID:27916522

Rotational and fine structure of open-shell molecules in nearly degenerate electronic states

NASA Astrophysics Data System (ADS)

Liu, Jinjun

2018-03-01

An effective Hamiltonian without symmetry restriction has been developed to model the rotational and fine structure of two nearly degenerate electronic states of an open-shell molecule. In addition to the rotational Hamiltonian for an asymmetric top, this spectroscopic model includes the energy separation between the two states due to difference potential and zero-point energy difference, as well as the spin-orbit (SO), Coriolis, and electron spin-molecular rotation (SR) interactions. Hamiltonian matrices are computed using orbitally and fully symmetrized case (a) and case (b) basis sets. Intensity formulae and selection rules for rotational transitions between a pair of nearly degenerate states and a nondegenerate state have also been derived using all four basis sets. It is demonstrated using real examples of free radicals that the fine structure of a single electronic state can be simulated with either a SR tensor or a combination of SO and Coriolis constants. The related molecular constants can be determined precisely only when all interacting levels are simulated simultaneously. The present study suggests that analysis of rotational and fine structure can provide quantitative insights into vibronic interactions and related effects.

Challenges for single molecule electronic devices with nanographene and organic molecules. Do single molecules offer potential as elements of electronic devices in the next generation?

NASA Astrophysics Data System (ADS)

Enoki, Toshiaki; Kiguchi, Manabu

2018-03-01

Interest in utilizing organic molecules to fabricate electronic materials has existed ever since organic (molecular) semiconductors were first discovered in the 1950s. Since then, scientists have devoted serious effort to the creation of various molecule-based electronic systems, such as molecular metals and molecular superconductors. Single-molecule electronics and the associated basic science have emerged over the past two decades and provided hope for the development of highly integrated molecule-based electronic devices in the future (after the Si-based technology era has ended). Here, nanographenes (nano-sized graphene) with atomically precise structures are among the most promising molecules that can be utilized for electronic/spintronic devices. To manipulate single small molecules for an electronic device, a single molecular junction has been developed. It is a powerful tool that allows even small molecules to be utilized. External electric, magnetic, chemical, and mechanical perturbations can change the physical and chemical properties of molecules in a way that is different from bulk materials. Therefore, the various functionalities of molecules, along with changes induced by external perturbations, allows us to create electronic devices that we cannot create using current top-down Si-based technology. Future challenges that involve the incorporation of condensed matter physics, quantum chemistry calculations, organic synthetic chemistry, and electronic device engineering are expected to open a new era in single-molecule device electronic technology.

Representation of Fuzzy Symmetric Relations

DTIC Science & Technology

1986-03-19

Std Z39-18 REPRESENTATION OF FUZZY SYMMETRIC RELATIONS L. Valverde Dept. de Matematiques i Estadistica Universitat Politecnica de Catalunya Avda...REPRESENTATION OF FUZZY SYMMETRIC RELATIONS L. "Valverde* Dept. de Matematiques i Estadistica Universitat Politecnica de Catalunya Avda. Diagonal, 649

Symmetric Key Services Markup Language (SKSML)

NASA Astrophysics Data System (ADS)

Noor, Arshad

Symmetric Key Services Markup Language (SKSML) is the eXtensible Markup Language (XML) being standardized by the OASIS Enterprise Key Management Infrastructure Technical Committee for requesting and receiving symmetric encryption cryptographic keys within a Symmetric Key Management System (SKMS). This protocol is designed to be used between clients and servers within an Enterprise Key Management Infrastructure (EKMI) to secure data, independent of the application and platform. Building on many security standards such as XML Signature, XML Encryption, Web Services Security and PKI, SKSML provides standards-based capability to allow any application to use symmetric encryption keys, while maintaining centralized control. This article describes the SKSML protocol and its capabilities.

Inelastic Tunneling Spectroscopy of Alkanethiol Molecules: High-Resolution Spectroscopy and Theoretical Simulations

NASA Astrophysics Data System (ADS)

Okabayashi, Norio; Paulsson, Magnus; Ueba, Hiromu; Konda, Youhei; Komeda, Tadahiro

2010-02-01

We investigate inelastic electron tunneling spectroscopy (IETS) for alkanethiol self-assembled monolayers (SAM) with a scanning tunneling microscope and compare it to first-principles calculations. Using a combination of partial deuteration of the molecule and high-resolution measurements, we identify and differentiate between methyl (CH3) and methylene (CH2) groups and their symmetric and asymmetric C-H stretch modes. The calculations agree quantitatively with the measured IETS in producing the weight of the symmetric and asymmetric C-H stretch modes while the methylene stretch mode is largely underestimated. We further show that inelastic intermolecular scattering is important in the SAM by plotting the theoretical current densities.

Particle-vortex symmetric liquid

NASA Astrophysics Data System (ADS)

Mulligan, Michael

2017-01-01

We introduce an effective theory with manifest particle-vortex symmetry for disordered thin films undergoing a magnetic field-tuned superconductor-insulator transition. The theory may enable one to access both the critical properties of the strong-disorder limit, which has recently been confirmed by Breznay et al. [Proc. Natl. Acad. Sci. USA 113, 280 (2016), 10.1073/pnas.1522435113] to exhibit particle-vortex symmetric electrical response, and the nearby metallic phase discovered earlier by Mason and Kapitulnik [Phys. Rev. Lett. 82, 5341 (1999), 10.1103/PhysRevLett.82.5341] in less disordered samples. Within the effective theory, the Cooper-pair and field-induced vortex degrees of freedom are simultaneously incorporated into an electrically neutral Dirac fermion minimally coupled to a (emergent) Chern-Simons gauge field. A derivation of the theory follows upon mapping the superconductor-insulator transition to the integer quantum Hall plateau transition and the subsequent use of Son's particle-hole symmetric composite Fermi liquid. Remarkably, particle-vortex symmetric response does not require the introduction of disorder; rather, it results when the Dirac fermions exhibit vanishing Hall effect. The theory predicts approximately equal (diagonal) thermopower and Nernst signal with a deviation parameterized by the measured electrical Hall response at the symmetric point.

The origin of transverse anisotropy in axially symmetric single molecule magnets.

PubMed

Barra, Anne-Laure; Caneschi, Andrea; Cornia, Andrea; Gatteschi, Dante; Gorini, Lapo; Heiniger, Leo-Philipp; Sessoli, Roberta; Sorace, Lorenzo

2007-09-05

Single-crystal high-frequency electron paramagnetic resonance spectroscopy has been employed on a truly axial single molecule magnet of formula [Mn(12)O(12)(tBu-CH(2)CO(2))16(CH(3)OH)4].CH(3)OH to investigate the origin of the transverse magnetic anisotropy, a crucial parameter that rules the quantum tunneling of the magnetization. The crystal structure, including the absolute structure of the crystal used for EPR experiments, has been fully determined and found to belong to I4 tetragonal space group. The angular dependence of the resonance fields in the crystallographic ab plane shows the presence of high-order tetragonal anisotropy and strong dependence on the MS sublevels with the second-highest-field transition being angular independent. This was rationalized including competing fourth- and sixth-order transverse parameters in a giant spin Hamiltonian which describes the magnetic anisotropy in the ground S = 10 spin state of the cluster. To establish the origin of these anisotropy terms, the experimental results have been further analyzed using a simplified multispin Hamiltonian which takes into account the exchange interactions and the single ion magnetic anisotropy of the Mn(III) centers. It has been possible to establish magnetostructural correlations with spin Hamiltonian parameters up to the sixth order. Transverse anisotropy in axial single molecule magnets was found to originate from the multispin nature of the system and from the breakdown of the strong exchange approximation. The tilting of the single-ion easy axes of magnetization with respect to the 4-fold molecular axis of the cluster plays the major role in determining the transverse anisotropy. Counterintuitively, the projections of the single ion easy axes on the ab plane correspond to hard axes of magnetization.

Propagation of symmetric and anti-symmetric surface waves in aself-gravitating magnetized dusty plasma layer with generalized (r, q) distribution

NASA Astrophysics Data System (ADS)

Lee, Myoung-Jae; Jung, Young-Dae

2018-05-01

The dispersion properties of surface dust ion-acoustic waves in a self-gravitating magnetized dusty plasma layer with the (r, q) distribution are investigated. The result shows that the wave frequency of the symmetric mode in the plasma layer decreases with an increase in the wave number. It is also shown that the wave frequency of the symmetric mode decreases with an increase in the spectral index r. However, the wave frequency of the anti-symmetric mode increases with an increase in the wave number. It is also found that the anti-symmetric mode wave frequency increases with an increase in the spectral index r. In addition, it is found that the influence of the self-gravitation on the symmetric mode wave frequency decreases with increasing scaled Jeans frequency. Moreover, it is found that the wave frequency of the symmetric mode increases with an increase in the dust charge; however, the anti-symmetric mode shows opposite behavior.

Analytic Morse/long-range potential energy surfaces and "adiabatic-hindered-rotor" treatment for a symmetric top-linear molecule dimer: A case study of CH3F-H2

NASA Astrophysics Data System (ADS)

Zhang, Xiao-Long; Ma, Yong-Tao; Zhai, Yu; Li, Hui

2018-03-01

A first effective six-dimensional ab initio potential energy surface (PES) for CH3F-H2 which explicitly includes the intramolecular Q3 stretching normal mode of the CH3F monomer is presented. The electronic structure computations have been carried out at the explicitly correlated coupled cluster level of theory [CCSD(T)-F12a] with an augmented correlation-consistent triple zeta basis set. Five-dimensional analytical intermolecular PESs for ν3(CH3F) = 0 and 1 are then obtained by fitting the vibrationally averaged potentials to the Morse/Long-Range (MLR) potential function form. The MLR function form is applied to the nonlinear molecule-linear molecule case for the first time. These fits to 25 015 points have root-mean-square deviations of 0.74 cm-1 and 0.082 cm-1 for interaction energies less than 0.0 cm-1. Using the adiabatic hindered-rotor approximation, three-dimensional PESs for CH3F-paraH2 are generated from the 5D PESs over all possible orientations of the hydrogen monomer. The infrared and microwave spectra for CH3F-paraH2 dimer are predicted for the first time. These analytic PESs can be used for modeling the dynamical behavior in CH3F-(H2)N clusters, including the possible appearance of microscopic superfluidity.

An exact variational method to calculate rovibrational spectra of polyatomic molecules with large amplitude motion

NASA Astrophysics Data System (ADS)

Yu, Hua-Gen

2016-08-01

We report a new full-dimensional variational algorithm to calculate rovibrational spectra of polyatomic molecules using an exact quantum mechanical Hamiltonian. The rovibrational Hamiltonian of system is derived in a set of orthogonal polyspherical coordinates in the body-fixed frame. It is expressed in an explicitly Hermitian form. The Hamiltonian has a universal formulation regardless of the choice of orthogonal polyspherical coordinates and the number of atoms in molecule, which is suitable for developing a general program to study the spectra of many polyatomic systems. An efficient coupled-state approach is also proposed to solve the eigenvalue problem of the Hamiltonian using a multi-layer Lanczos iterative diagonalization approach via a set of direct product basis set in three coordinate groups: radial coordinates, angular variables, and overall rotational angles. A simple set of symmetric top rotational functions is used for the overall rotation whereas a potential-optimized discrete variable representation method is employed in radial coordinates. A set of contracted vibrationally diabatic basis functions is adopted in internal angular variables. Those diabatic functions are first computed using a neural network iterative diagonalization method based on a reduced-dimension Hamiltonian but only once. The final rovibrational energies are computed using a modified Lanczos method for a given total angular momentum J, which is usually fast. Two numerical applications to CH4 and H2CO are given, together with a comparison with previous results.

An exact variational method to calculate rovibrational spectra of polyatomic molecules with large amplitude motion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, Hua-Gen, E-mail: hgy@bnl.gov

We report a new full-dimensional variational algorithm to calculate rovibrational spectra of polyatomic molecules using an exact quantum mechanical Hamiltonian. The rovibrational Hamiltonian of system is derived in a set of orthogonal polyspherical coordinates in the body-fixed frame. It is expressed in an explicitly Hermitian form. The Hamiltonian has a universal formulation regardless of the choice of orthogonal polyspherical coordinates and the number of atoms in molecule, which is suitable for developing a general program to study the spectra of many polyatomic systems. An efficient coupled-state approach is also proposed to solve the eigenvalue problem of the Hamiltonian using amore » multi-layer Lanczos iterative diagonalization approach via a set of direct product basis set in three coordinate groups: radial coordinates, angular variables, and overall rotational angles. A simple set of symmetric top rotational functions is used for the overall rotation whereas a potential-optimized discrete variable representation method is employed in radial coordinates. A set of contracted vibrationally diabatic basis functions is adopted in internal angular variables. Those diabatic functions are first computed using a neural network iterative diagonalization method based on a reduced-dimension Hamiltonian but only once. The final rovibrational energies are computed using a modified Lanczos method for a given total angular momentum J, which is usually fast. Two numerical applications to CH{sub 4} and H{sub 2}CO are given, together with a comparison with previous results.« less

TopA, the Sulfolobus solfataricus topoisomerase III, is a decatenase

PubMed Central

Yang, Xi; Débat, Hélène; Fogg, Jonathan M; Zechiedrich, Lynn; Strick, Terence R; Garnier, Florence

2018-01-01

Abstract DNA topoisomerases are essential enzymes involved in all the DNA processes and among them, type IA topoisomerases emerged as a key actor in the maintenance of genome stability. The hyperthermophilic archaeon, Sulfolobus solfataricus, contains three topoisomerases IA including one classical named TopA. SsoTopA is very efficient at unlinking DNA catenanes, grouping SsoTopA into the topoisomerase III family. SsoTopA is active over a wide range of temperatures and at temperatures of up to 85°C it produces highly unwound DNA. At higher temperatures, SsoTopA unlinks the two DNA strands. Thus depending on the temperature, SsoTopA is able to either prevent or favor DNA melting. While canonical topoisomerases III require a single-stranded DNA region or a nick in one of the circles to decatenate them, we show for the first time that a type I topoisomerase, SsoTopA, is able to efficiently unlink covalently closed catenanes, with no additional partners. By using single molecule experiments we demonstrate that SsoTopA requires the presence of a short single-stranded DNA region to be efficient. The unexpected decatenation property of SsoTopA probably comes from its high ability to capture this unwound region. This points out a possible role of TopA in S. solfataricus as a decatenase in Sulfolobus. PMID:29253195

Effects of the molecule-electrode interface on the low-bias conductance of Cu-H2-Cu single-molecule junctions.

PubMed

Jiang, Zhuoling; Wang, Hao; Shen, Ziyong; Sanvito, Stefano; Hou, Shimin

2016-07-28

The atomic structure and electronic transport properties of a single hydrogen molecule connected to both symmetric and asymmetric Cu electrodes are investigated by using the non-equilibrium Green's function formalism combined with the density functional theory. Our calculations show that in symmetric Cu-H2-Cu junctions, the low-bias conductance drops rapidly upon stretching, while asymmetric ones present a low-bias conductance spanning the 0.2-0.3 G0 interval for a wide range of electrode separations. This is in good agreement with experiments on Cu atomic contacts in a hydrogen environment. Furthermore, the distribution of the calculated vibrational energies of the two hydrogen atoms in the asymmetric Cu-H2-Cu junction is also consistent with experiments. These findings provide clear evidence for the formation of asymmetric Cu-H2-Cu molecular junctions in breaking Cu atomic contacts in the presence of hydrogen and are also helpful for the design of molecular devices with Cu electrodes.

High-speed vibration-milling-promoted synthesis of symmetrical frameworks containing two or three pyrrole units

PubMed Central

Leonardi, Marco; Villacampa, Mercedes

2017-01-01

The pseudo-five-component reaction between β-dicarbonyl compounds (2 molecules), diamines and α-iodoketones (2 molecules), prepared in situ from aryl ketones, was performed efficiently under mechanochemical conditions involving high-speed vibration milling with a single zirconium oxide ball. This reaction afforded symmetrical frameworks containing two pyrrole or fused pyrrole units joined by a spacer, which are of interest in the exploration of chemical space for drug discovery purposes. The method was also extended to the synthesis of one compound containing three identical pyrrole fragments via a pseudo-seven-component reaction. Access to compounds having a double bond in their spacer chain was achieved by a different approach involving the homodimerization of 1-allyl- or 1-homoallylpyrroles by application of cross-metathesis chemistry. PMID:29062414

Localization control of few-photon states in parity-symmetric ‘photonic molecules’ under balanced pumping

NASA Astrophysics Data System (ADS)

Bentley, C. D. B.; Celestino, A.; Yacomotti, A. M.; El-Ganainy, R.; Eisfeld, A.

2018-06-01

We theoretically investigate the problem of localization control of few-photon states in driven-dissipative parity-symmetric photonic molecules. Photonic molecules are multi-cavity photonic systems. We show that a quantum feedback loop can utilize the information of the spontaneously-emitted photons from each cavity to induce asymmetric photon population in the cavities, while maintaining a balanced pump that respects parity symmetry. To better understand the system’s behavior, we characterize the degree of asymmetry as a function of the coupling between the two optical cavities. Contrary to intuitive expectations, we find that in some regimes the coupling can enhance the population asymmetry. We also show that these results are robust against experimental imperfections and limitations such as detection efficiency.

C 3-symmetric opioid scaffolds are pH-responsive DNA condensation agents

PubMed Central

McStay, Natasha; Molphy, Zara; Coughlan, Alan; Cafolla, Attilio; McKee, Vickie; Gathergood, Nicholas; Kellett, Andrew

2017-01-01

Herein we report the synthesis of tripodal C3-symmetric opioid scaffolds as high-affinity condensation agents of duplex DNA. Condensation was achieved on both supercoiled and canonical B-DNA structures and identified by agarose electrophoresis, viscosity, turbidity and atomic force microscopy (AFM) measurements. Structurally, the requirement of a tris-opioid scaffold for condensation is demonstrated as both di- (C2-symmetric) and mono-substituted (C1-symmetric) mesitylene-linked opioid derivatives poorly coordinate dsDNA. Condensation, observed by toroidal and globule AFM aggregation, arises from surface-binding ionic interactions between protonated, cationic, tertiary amine groups on the opioid skeleton and the phosphate nucleic acid backbone. Indeed, by converting the 6-hydroxyl group of C3-morphine (MC3) to methoxy substituents in C3-heterocodeine (HC3) and C3-oripavine (OC3) molecules, dsDNA compaction is retained thus negating the possibility of phosphate—hydroxyl surface-binding. Tripodal opioid condensation was identified as pH dependent and strongly influenced by ionic strength with further evidence of cationic amine-phosphate backbone coordination arising from thermal melting analysis and circular dichroism spectroscopy, with compaction also witnessed on synthetic dsDNA co-polymers poly[d(A-T)2] and poly[d(G-C)2]. On-chip microfluidic analysis of DNA condensed by C3-agents provided concentration-dependent protection (inhibition) to site-selective excision by type II restriction enzymes: BamHI, HindIII, SalI and EcoRI, but not to the endonuclease DNase I. PMID:27899572

In vitro molecular machine learning algorithm via symmetric internal loops of DNA.

PubMed

Lee, Ji-Hoon; Lee, Seung Hwan; Baek, Christina; Chun, Hyosun; Ryu, Je-Hwan; Kim, Jin-Woo; Deaton, Russell; Zhang, Byoung-Tak

2017-08-01

Programmable biomolecules, such as DNA strands, deoxyribozymes, and restriction enzymes, have been used to solve computational problems, construct large-scale logic circuits, and program simple molecular games. Although studies have shown the potential of molecular computing, the capability of computational learning with DNA molecules, i.e., molecular machine learning, has yet to be experimentally verified. Here, we present a novel molecular learning in vitro model in which symmetric internal loops of double-stranded DNA are exploited to measure the differences between training instances, thus enabling the molecules to learn from small errors. The model was evaluated on a data set of twenty dialogue sentences obtained from the television shows Friends and Prison Break. The wet DNA-computing experiments confirmed that the molecular learning machine was able to generalize the dialogue patterns of each show and successfully identify the show from which the sentences originated. The molecular machine learning model described here opens the way for solving machine learning problems in computer science and biology using in vitro molecular computing with the data encoded in DNA molecules. Copyright © 2017. Published by Elsevier B.V.

View-Tolerant Face Recognition and Hebbian Learning Imply Mirror-Symmetric Neural Tuning to Head Orientation.

PubMed

Leibo, Joel Z; Liao, Qianli; Anselmi, Fabio; Freiwald, Winrich A; Poggio, Tomaso

2017-01-09

The primate brain contains a hierarchy of visual areas, dubbed the ventral stream, which rapidly computes object representations that are both specific for object identity and robust against identity-preserving transformations, like depth rotations [1, 2]. Current computational models of object recognition, including recent deep-learning networks, generate these properties through a hierarchy of alternating selectivity-increasing filtering and tolerance-increasing pooling operations, similar to simple-complex cells operations [3-6]. Here, we prove that a class of hierarchical architectures and a broad set of biologically plausible learning rules generate approximate invariance to identity-preserving transformations at the top level of the processing hierarchy. However, all past models tested failed to reproduce the most salient property of an intermediate representation of a three-level face-processing hierarchy in the brain: mirror-symmetric tuning to head orientation [7]. Here, we demonstrate that one specific biologically plausible Hebb-type learning rule generates mirror-symmetric tuning to bilaterally symmetric stimuli, like faces, at intermediate levels of the architecture and show why it does so. Thus, the tuning properties of individual cells inside the visual stream appear to result from group properties of the stimuli they encode and to reflect the learning rules that sculpted the information-processing system within which they reside. Copyright © 2017 Elsevier Ltd. All rights reserved.

Lambertian white top-emitting organic light emitting device with carbon nanotube cathode

NASA Astrophysics Data System (ADS)

Freitag, P.; Zakhidov, Al. A.; Luessem, B.; Zakhidov, A. A.; Leo, K.

2012-12-01

We demonstrate that white organic light emitting devices (OLEDs) with top carbon nanotube (CNT) electrodes show almost no microcavity effect and exhibit essentially Lambertian emission. CNT top electrodes were applied by direct lamination of multiwall CNT sheets onto white small molecule OLED stack. The devices show an external quantum efficiency of 1.5% and high color rendering index of 70. Due to elimination of the cavity effect, the devices show good color stability for different viewing angles. Thus, CNT electrodes are a viable alternative to thin semitransparent metallic films, where the strong cavity effect causes spectral shift and non-Lambertian angular dependence. Our method of the device fabrication is simple yet effective and compatible with virtually any small molecule organic semiconductor stack. It is also compatible with flexible substrates and roll-to-roll fabrication.

Intense pumping and time- and frequency-resolved CARS for driving and tracking structural deformation and recovery of liquid nitromethane molecules

NASA Astrophysics Data System (ADS)

Wang, Chang; Wu, Hong-lin; Song, Yun-fei; He, Xing; Yang, Yan-qiang; Tan, Duo-wang

2015-11-01

A modified CARS technique with an intense nonresonant femtosecond laser is presented to drive the structural deformation of liquid nitromethane molecules and track their structural relaxation process. The CARS spectra reveal that the internal rotation of the molecule can couple with the CN symmetric stretching vibration and the molecules undergo ultrafast structural deformation of the CH3 groups from 'opened umbrella' to 'closed umbrella' shape, and then experience a structural recovery process within 720 fs.

Uplift of symmetrical anchor plates by using grid-fixed reinforced reinforcement in cohesionless soil

NASA Astrophysics Data System (ADS)

Niroumand, Hamed; Kassim, Khairul Anuar

2014-03-01

Uplift response of symmetrical anchor plates with and without grid fixed reinforced (GFR) reinforcement was evaluated in model tests and numerical simulations by Plaxis. Many variations of reinforcement layers were used to reinforce the sandy soil over symmetrical anchor plates. In the current research, different factors such as relative density of sand, embedment ratios, and various GFR parameters including size, number of layers, and the proximity of the layer to the symmetrical anchor plate were investigated in a scale model. The failure mechanism and the associated rupture surface were observed and evaluated. GFR, a tied up system made of fiber reinforcement polymer (FRP) strips and end balls, was connected to the geosynthetic material and anchored into the soil. Test results showed that using GFR reinforcement significantly improved the uplift capacity of anchor plates. It was found that the inclusion of one layer of GFR, which rested directly on the top of the anchor plate, was more effective in enhancing the anchor capacity itself than other methods. It was found that by including GFR the uplift response was improved by 29%. Multi layers of GFR proved more effective in enhancing the uplift capacity than a single GFR reinforcement. This is due to the additional anchorage provided by the GFR at each level of reinforcement. In general, the results show that the uplift capacity of symmetrical anchor plates in loose and dense sand can be significantly increased by the inclusion of GFR. It was also observed that the inclusion of GFR reduced the requirement for a large L/D ratio to achieve the required uplift capacity. The laboratory and numerical analysis results are found to be in agreement in terms of breakout factor and failure mechanism pattern.

On the stability of motion of several types of heavy symmetric gyroscopes with damping torques

NASA Astrophysics Data System (ADS)

Ge, Z.-M.; Wu, M.-H.

Sufficient conditions for the stability of motion of several gyroscopes are obtained using Liapunov's direct method. The stability of a 'temporarily' sleeping top with damping torque is considered for the cases of the support being fixed, being in vertical harmonic motion, and being in vertical periodic motion. Sufficient conditions are also obtained for the stability of a heavy symmetric gyroscope with damping torque and motor torque for the cases of regular precession, vertical axis permanent rotation with and without the axis of the outer gimbal being inclined, and the gyroscope being in a Newtonian central gravitational field.

Alpha-helical regions of the protein molecule as organic nanotubes

NASA Astrophysics Data System (ADS)

Suprun, Anatol D.; Shmeleva, Liudmyla V.

2014-05-01

An α-helical region of protein molecule was considered in a model of nanotube. The molecule is in conditions of quantum excitations. Such model corresponds to a one-dimensional molecular nanocrystal with three molecules in an elementary cell at the presence of excitation. For the analysis of different types of conformational response of the α-helical area of the protein molecule on excitation, the nonlinear response of this area to the intramolecular quantum excitation caused by hydrolysis of adenosine triphosphate (ATP) is taken into account. It has been established that in the simplest case, three types of excitation are realized. As estimates show, each of them `serves' different kinds of protein. The symmetrical type of excitation, most likely, is realized in the reduction of traversal-striped skeletal muscles. It has the highest excitation energy. This well protects from casual actions. Antisymmetric excitations have intermediate energy (between symmetrical and asymmetrical). They, most likely, are realized in membranous and nucleic proteins. It is shown that the conformational response of the α-helical region of the protein is (in angstroms) a quantity of order N c /5, where N c is the number of spiral turns. For the number of turns typical in this case: N c ~ 10, displacement compounds are a quantity of order 2 Å. It qualitatively corresponds to observable values. Asymmetrical excitations have the lowest energy. Therefore, most likely, they are realized in enzymatic proteins. It was shown that at this type of excitation, the bending of the α-helix is formally directed to the opposite side with respect to the antisymmetric excitations. Also, it has a greater value than the antisymmetric case for N c ≤ 14 and smaller for N c > 14.

Communication-avoiding symmetric-indefinite factorization

DOE PAGES

Ballard, Grey Malone; Becker, Dulcenia; Demmel, James; ...

2014-11-13

We describe and analyze a novel symmetric triangular factorization algorithm. The algorithm is essentially a block version of Aasen's triangular tridiagonalization. It factors a dense symmetric matrix A as the product A=PLTL TP T where P is a permutation matrix, L is lower triangular, and T is block tridiagonal and banded. The algorithm is the first symmetric-indefinite communication-avoiding factorization: it performs an asymptotically optimal amount of communication in a two-level memory hierarchy for almost any cache-line size. Adaptations of the algorithm to parallel computers are likely to be communication efficient as well; one such adaptation has been recently published. Asmore » a result, the current paper describes the algorithm, proves that it is numerically stable, and proves that it is communication optimal.« less

Communication-avoiding symmetric-indefinite factorization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ballard, Grey Malone; Becker, Dulcenia; Demmel, James

We describe and analyze a novel symmetric triangular factorization algorithm. The algorithm is essentially a block version of Aasen's triangular tridiagonalization. It factors a dense symmetric matrix A as the product A=PLTL TP T where P is a permutation matrix, L is lower triangular, and T is block tridiagonal and banded. The algorithm is the first symmetric-indefinite communication-avoiding factorization: it performs an asymptotically optimal amount of communication in a two-level memory hierarchy for almost any cache-line size. Adaptations of the algorithm to parallel computers are likely to be communication efficient as well; one such adaptation has been recently published. Asmore » a result, the current paper describes the algorithm, proves that it is numerically stable, and proves that it is communication optimal.« less

HUBBLE'S TOP TEN GRAVITATIONAL LENSES

NASA Technical Reports Server (NTRS)

2002-01-01

The NASA Hubble Space Telescope serendipitous survey of the sky has uncovered exotic patterns, rings, arcs and crosses that are all optical mirages produced by a gravitational lens, nature's equivalent of having giant magnifying glass in space. Shown are the top 10 lens candidates uncovered in the deepest 100 Hubble fields. Hubble's sensitivity and high resolution allow it to see faint and distant lenses that cannot be detected with ground-based telescopes whose images are blurred by Earth's atmosphere. [Top Left] - HST 01248+0351 is a lensed pair on either side of the edge-on disk lensing galaxy. [Top Center] - HST 01247+0352 is another pair of bluer lensed source images around the red spherical elliptical lensing galaxy. Two much fainter images can be seen near the detection limit which might make this a quadruple system. [Top Right] - HST 15433+5352 is a very good lens candidate with a bluer lensed source in the form of an extended arc about the redder elliptical lensing galaxy. [Middle Far Left] - HST 16302+8230 could be an 'Einstein ring' and the most intriguing lens candidate. It has been nicknamed the 'the London Underground' since it resembles that logo. [Middle Near Left] - HST 14176+5226 is the first, and brightest lens system discovered in 1995 with the Hubble telescope. This lens candidate has now been confirmed spectroscopically using large ground-based telescopes. The elliptical lensing galaxy is located 7 billion light-years away, and the lensed quasar is about 11 billion light-years distant. [Middle Near Right] - HST 12531-2914 is the second quadruple lens candidate discovered with Hubble. It is similar to the first, but appears smaller and fainter. [Middle Far Right] - HST 14164+5215 is a pair of bluish lensed images symmetrically placed around a brighter, redder galaxy. [Bottom Left] - HST 16309+8230 is an edge-on disk-like galaxy (blue arc) which has been significantly distorted by the redder lensing elliptical galaxy. [Bottom Center] - HST 12368

C 3-symmetric opioid scaffolds are pH-responsive DNA condensation agents.

PubMed

McStay, Natasha; Molphy, Zara; Coughlan, Alan; Cafolla, Attilio; McKee, Vickie; Gathergood, Nicholas; Kellett, Andrew

2017-01-25

Herein we report the synthesis of tripodal C 3 -symmetric opioid scaffolds as high-affinity condensation agents of duplex DNA. Condensation was achieved on both supercoiled and canonical B-DNA structures and identified by agarose electrophoresis, viscosity, turbidity and atomic force microscopy (AFM) measurements. Structurally, the requirement of a tris-opioid scaffold for condensation is demonstrated as both di- (C 2 -symmetric) and mono-substituted (C 1 -symmetric) mesitylene-linked opioid derivatives poorly coordinate dsDNA. Condensation, observed by toroidal and globule AFM aggregation, arises from surface-binding ionic interactions between protonated, cationic, tertiary amine groups on the opioid skeleton and the phosphate nucleic acid backbone. Indeed, by converting the 6-hydroxyl group of C 3 -morphine ( MC3: ) to methoxy substituents in C 3 -heterocodeine ( HC3: ) and C 3 -oripavine ( OC3: ) molecules, dsDNA compaction is retained thus negating the possibility of phosphate-hydroxyl surface-binding. Tripodal opioid condensation was identified as pH dependent and strongly influenced by ionic strength with further evidence of cationic amine-phosphate backbone coordination arising from thermal melting analysis and circular dichroism spectroscopy, with compaction also witnessed on synthetic dsDNA co-polymers poly[d(A-T) 2 ] and poly[d(G-C) 2 ]. On-chip microfluidic analysis of DNA condensed by C 3 -agents provided concentration-dependent protection (inhibition) to site-selective excision by type II restriction enzymes: BamHI, HindIII, SalI and EcoRI, but not to the endonuclease DNase I. © The Author(s) 2016. Published by Oxford University Press on behalf of Nucleic Acids Research.

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.

Molecular docking guided structure based design of symmetrical N,N'-disubstituted urea/thiourea as HIV-1 gp120-CD4 binding inhibitors.

PubMed

Sivan, Sree Kanth; Vangala, Radhika; Manga, Vijjulatha

2013-08-01

Induced fit molecular docking studies were performed on BMS-806 derivatives reported as small molecule inhibitors of HIV-1 gp120-CD4 binding. Comprehensive study of protein-ligand interactions guided in identification and design of novel symmetrical N,N'-disubstituted urea and thiourea as HIV-1 gp120-CD4 binding inhibitors. These molecules were synthesized in aqueous medium using microwave irradiation. Synthesized molecules were screened for their inhibitory ability by HIV-1 gp120-CD4 capture enzyme-linked immunosorbent assay (ELISA). Designed compounds were found to inhibit HIV-1 gp120-CD4 binding in micromolar (0.013-0.247 μM) concentrations. Copyright © 2013 Elsevier Ltd. All rights reserved.

RNAi triggered by symmetrically transcribed transgenes in Drosophila melanogaster.

PubMed Central

Giordano, Ennio; Rendina, Rosaria; Peluso, Ivana; Furia, Maria

2002-01-01

Specific silencing of target genes can be induced in a variety of organisms by providing homologous double-stranded RNA molecules. In vivo, these molecules can be generated either by transcription of sequences having an inverted-repeat (IR) configuration or by simultaneous transcription of sense-antisense strands. Since IR constructs are difficult to prepare and can stimulate genomic rearrangements, we investigated the silencing potential of symmetrically transcribed sequences. We report that Drosophila transgenes whose sense-antisense transcription was driven by two convergent arrays of Gal4-dependent UAS sequences can induce specific, dominant, and heritable repression of target genes. This effect is not dependent on a mechanism based on homology-dependent DNA/DNA interactions, but is directly triggered by transcriptional activation and is accompanied by specific depletion of the endogenous target RNA. Tissue-specific induction of these transgenes restricts the target gene silencing to selected body domains, and spreading phenomena described in other cases of post-transcriptional gene silencing (PTGS) were not observed. In addition to providing an additional tool useful for Drosophila functional genomic analysis, these results add further strength to the view that events of sense-antisense transcription may readily account for some, if not all, PTGS-cosuppression phenomena and can potentially play a relevant role in gene regulation. PMID:11861567

Superstructures and Electronic Properties of Manganese-Phthalocyanine Molecules on Au(110) from Submonolayer Coverage to Ultrathin Molecular Films.

PubMed

Topyła, M; Néel, N; Kröger, J

2016-07-12

The adsorption of manganese-phthalocyanine molecules on Au(110) was investigated using a low-temperature scanning tunneling microscope. A rich variety of commensurate superstructures was observed upon increasing the molecule coverage from submonolayers to ultrathin films. All structures were associated with reconstructions of the Au(110) substrate. Molecules adsorbed in the second molecular layer exhibited negative differential conductance occurring symmetrically around zero bias voltage. A double-barrier tunneling model rationalized this observation in terms of a peaked molecular resonance at the Fermi energy together with a voltage drop across the molecular film.

Top-down Proteomics in Health and Disease: Challenges and Opportunities

PubMed Central

Gregorich, Zachery R.; Ge, Ying

2014-01-01

Proteomics is essential for deciphering how molecules interact as a system and for understanding the functions of cellular systems in human disease; however, the unique characteristics of the human proteome, which include a high dynamic range of protein expression and extreme complexity due to a plethora of post-translational modifications (PTMs) and sequence variations, make such analyses challenging. An emerging “top-down” mass spectrometry (MS)-based proteomics approach, which provides a “bird’s eye” view of all proteoforms, has unique advantages for the assessment of PTMs and sequence variations. Recently, a number of studies have showcased the potential of top-down proteomics for unraveling of disease mechanisms and discovery of new biomarkers. Nevertheless, the top-down approach still faces significant challenges in terms of protein solubility, separation, and the detection of large intact proteins, as well as the under-developed data analysis tools. Consequently, new technological developments are urgently needed to advance the field of top-down proteomics. Herein, we intend to provide an overview of the recent applications of top-down proteomics in biomedical research. Moreover, we will outline the challenges and opportunities facing top-down proteomics strategies aimed at understanding and diagnosing human diseases. PMID:24723472

Symmetrical collision of multiple vortex rings

NASA Astrophysics Data System (ADS)

Hernández, R. H.; Reyes, T.

2017-10-01

In this work, we investigate the motion, interaction, and simultaneous collision between many initially stable vortex rings arranged symmetrically in two initial configurations, three and six rings making an angle of 60 and 120° between their straight path lines, respectively. We report results for laminar vortex rings in air obtained through numerical simulations of the ring velocity, pressure, and vorticity fields, both in free flight and during the entire collision. Each collision was studied for small Reynolds numbers R e <1 03 based on both the self-induced velocity and diameter of the ring. The case of three rings produces secondary vortical structures formed by laterally expanding dipolar arms with top and bottom secondary vortex rings. The case of six colliding rings produces, as secondary structures, two big rings moving in opposite directions, a process that reminds us of the head-on collision of two rings [T. T. Lim and T. B. Nickels, "Instability and reconnection in the head-on collision of two vortex rings," Nature 357, 225-227 (1992)] under a hypothetical time reversal transformation. Both collisions display a characteristic kinetic energy evolution where mean collision stages can be identified within the range of Reynolds numbers investigated here.

LIMAO: Cross-platform software for simulating laser-induced alignment and orientation dynamics of linear-, symmetric- and asymmetric tops

NASA Astrophysics Data System (ADS)

Szidarovszky, Tamás; Jono, Maho; Yamanouchi, Kaoru

2018-07-01

A user-friendly and cross-platform software called Laser-Induced Molecular Alignment and Orientation simulator (LIMAO) has been developed. The program can be used to simulate within the rigid rotor approximation the rotational dynamics of gas phase molecules induced by linearly polarized intense laser fields at a given temperature. The software is implemented in the Java and Mathematica programming languages. The primary aim of LIMAO is to aid experimental scientists in predicting and analyzing experimental data representing laser-induced spatial alignment and orientation of molecules.

Continuity and Separation in Symmetric Topologies

ERIC Educational Resources Information Center

Harris, J.; Lynch, M.

2007-01-01

In this note, it is shown that in a symmetric topological space, the pairs of sets separated by the topology determine the topology itself. It is then shown that when the codomain is symmetric, functions which separate only those pairs of sets that are already separated are continuous, generalizing a result found by M. Lynch.

Nuclear Fusion Rate Study of a Muonic Molecule via Nuclear Threshold Resonances

NASA Astrophysics Data System (ADS)

Faghihi, F.; Eskandari, M. R.

This work follows our previous calculations of the ground state binding energy, size, and the effective nuclear charge of the muonic T3 molecule, using the Born-Oppenheimer adiabatic approximation. In our past articles, we showed that the system possesses two minimum positions, the first one at the muonic distance and the second at the atomic distance. Also, the symmetric planner vibrational model assumed between the two minima and the approximated potential were calculated. Following from the previous studies, we now calculate the fusion rate of the T3 muonic molecule according to the overlap integral of the resonance nuclear compound nucleus and the molecular wave functions.

G-Strands on symmetric spaces

PubMed Central

2017-01-01

We study the G-strand equations that are extensions of the classical chiral model of particle physics in the particular setting of broken symmetries described by symmetric spaces. These equations are simple field theory models whose configuration space is a Lie group, or in this case a symmetric space. In this class of systems, we derive several models that are completely integrable on finite dimensional Lie group G, and we treat in more detail examples with symmetric space SU(2)/S1 and SO(4)/SO(3). The latter model simplifies to an apparently new integrable nine-dimensional system. We also study the G-strands on the infinite dimensional group of diffeomorphisms, which gives, together with the Sobolev norm, systems of 1+2 Camassa–Holm equations. The solutions of these equations on the complementary space related to the Witt algebra decomposition are the odd function solutions. PMID:28413343

Decelerating and Trapping Large Polar Molecules.

PubMed

Patterson, David

2016-11-18

Manipulating the motion of large polyatomic molecules, such as benzonitrile (C 6 H 5 CN), presents significant difficulties compared to the manipulation of diatomic molecules. Although recent impressive results have demonstrated manipulation, trapping, and cooling of molecules as large as CH 3 F, no general technique for trapping such molecules has been demonstrated, and cold neutral molecules larger than 5 atoms have not been trapped (M. Zeppenfeld, B. G. U. Englert, R. Glöckner, A. Prehn, M. Mielenz, C. Sommer, L. D. van Buuren, M. Motsch, G. Rempe, Nature 2012, 491, 570-573). In particular, extending Stark deceleration and electrostatic trapping to such species remains challenging. Here, we propose to combine a novel "asymmetric doublet state" Stark decelerator with recently demonstrated slow, cold, buffer-gas-cooled beams of closed-shell volatile molecules to realize a general system for decelerating and trapping samples of a broad range of volatile neutral polar prolate asymmetric top molecules. The technique is applicable to most stable volatile molecules in the 100-500 AMU range, and would be capable of producing trapped samples in a single rotational state and at a motional temperature of hundreds of mK. Such samples would immediately allow for spectroscopy of unprecedented resolution, and extensions would allow for further cooling and direct observation of slow intramolecular processes such as vibrational relaxation and Hertz-level tunneling dynamics. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Quantum-chemical calculations and IR spectra of the (F2)MF2 molecules (M = B, Al, Ga, In, Tl) in solid matrices: a new class of very high electron affinity neutral molecules.

PubMed

Wang, Xuefeng; Andrews, Lester

2011-03-23

Electron-deficient group 13 metals react with F(2) to give the compounds MF(2) (M = B, Al, Ga, In, Tl), which combine with F(2) to form a new class of very high electron affinity neutral molecules, (F(2))MF(2), in solid argon and neon. These (F(2))MF(2) fluorine metal difluoride molecules were identified through matrix IR spectra containing new antisymmetric and symmetric M-F stretching modes. The assignments were confirmed through close comparisons with frequency calculations using DFT methods, which were calibrated against the MF(3) molecules observed in all of the spectra. Electron affinities calculated at the CCSD(T) level fall between 7.0 and 7.8 eV, which are in the range of the highest known electron affinities.

Identification of Leishmania donovani Topoisomerase 1 inhibitors via intuitive scaffold hopping and bioisosteric modification of known Top 1 inhibitors

NASA Astrophysics Data System (ADS)

Mamidala, Rajinikanth; Majumdar, Papiya; Jha, Kunal Kumar; Bathula, Chandramohan; Agarwal, Rahul; Chary, M. Thirumala; Mazumdar, H. K.; Munshi, Parthapratim; Sen, Subhabrata

2016-05-01

A library of arylidenefuropyridinediones was discovered as potent inhibitors of Leishmania donovani Topoisomerase 1 (LdTop1) where the active molecules displayed considerable inhibition with single digit micromolar EC50 values. This molecular library was designed via intuitive scaffold hopping and bioisosteric modification of known topoisomerase 1 inhibitors such as camptothecin, edotecarin and etc. The design was rationalized by molecular docking analysis of the compound prototype with human topoisomerase 1 (HTop1) and Leishmania donovani topoisomerase 1(LdTop1). The most active compound 4 displayed no cytotoxicity against normal mammalian COS7 cell line (~100 fold less inhibition at the EC50). Similar to camptothecin, 4 interacted with free LdTop1 as observed in the preincubation DNA relaxation inhibition experiment. It also displayed anti-protozoal activity against Leishmania donovani promastigote. Crystal structure investigation of 4 and its molecular modelling with LdTop1 revealed putative binding sites in the enzyme that could be harnessed to generate molecules with better potency.

Malachite green mediates homodimerization of antibody VL domains to form a fluorescent ternary complex with singular symmetric interfaces

PubMed Central

Szent-Gyorgyi, Chris; Stanfield, Robyn L.; Andreko, Susan; Dempsey, Alison; Ahmed, Mushtaq; Capek, Sara; Waggoner, Alan; Wilson, Ian A.; Bruchez, Marcel P.

2013-01-01

We report that a symmetric small molecule ligand mediates the assembly of antibody light chain variable domains (VLs) into a correspondent symmetric ternary complex with novel interfaces. The L5* Fluorogen Activating Protein (FAP) is a VL domain that binds malachite green dye (MG) to activate intense fluorescence. Crystallography of liganded L5* reveals a 2:1 protein:ligand complex with inclusive C2 symmetry, where MG is almost entirely encapsulated between an antiparallel arrangement of the two VL domains. Unliganded L5* VL domains crystallize as a similar antiparallel VL/VL homodimer. The complementarity determining regions (CDRs) are spatially oriented to form novel VL/VL and VL/ligand interfaces that tightly constrain a propeller conformer of MG. Binding equilibrium analysis suggests highly cooperative assembly to form a very stable VL/MG/VL complex, such that MG behaves as a strong chemical inducer of dimerization. Fusion of two VL domains into a single protein tightens MG binding over 1,000-fold to low picomolar affinity without altering the large binding enthalpy, suggesting that bonding interactions with ligand and restriction of domain movements make independent contributions to binding. Fluorescence activation of a symmetrical fluorogen provides a selection mechanism for the isolation and directed evolution of ternary complexes where unnatural symmetric binding interfaces are favored over canonical antibody interfaces. As exemplified by L5*, these self-reporting complexes may be useful as modulators of protein association or as high affinity protein tags and capture reagents. PMID:23978698

Symmetric waterbomb origami.

PubMed

Chen, Yan; Feng, Huijuan; Ma, Jiayao; Peng, Rui; You, Zhong

2016-06-01

The traditional waterbomb origami, produced from a pattern consisting of a series of vertices where six creases meet, is one of the most widely used origami patterns. From a rigid origami viewpoint, it generally has multiple degrees of freedom, but when the pattern is folded symmetrically, the mobility reduces to one. This paper presents a thorough kinematic investigation on symmetric folding of the waterbomb pattern. It has been found that the pattern can have two folding paths under certain circumstance. Moreover, the pattern can be used to fold thick panels. Not only do the additional constraints imposed to fold the thick panels lead to single degree of freedom folding, but the folding process is also kinematically equivalent to the origami of zero-thickness sheets. The findings pave the way for the pattern being readily used to fold deployable structures ranging from flat roofs to large solar panels.

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.

Performance limitations of translationally symmetric nonimaging devices

NASA Astrophysics Data System (ADS)

Bortz, John C.; Shatz, Narkis E.; Winston, Roland

2001-11-01

The component of the optical direction vector along the symmetry axis is conserved for all rays propagated through a translationally symmetric optical device. This quality, referred to herein as the translational skew invariant, is analogous to the conventional skew invariant, which is conserved in rotationally symmetric optical systems. The invariance of both of these quantities is a consequence of Noether's theorem. We show how performance limits for translationally symmetric nonimaging optical devices can be derived from the distributions of the translational skew invariant for the optical source and for the target to which flux is to be transferred. Examples of computed performance limits are provided. In addition, we show that a numerically optimized non-tracking solar concentrator utilizing symmetry-breaking surface microstructure can overcome the performance limits associated with translational symmetry. The optimized design provides a 47.4% increase in efficiency and concentration relative to an ideal translationally symmetric concentrator.

Effects of the molecule-electrode interface on the low-bias conductance of Cu–H{sub 2}–Cu single-molecule junctions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jiang, Zhuoling; Centre for Nanoscale Science and Technology, Academy for Advanced Interdisciplinary Studies, Peking University, Beijing 100871; Wang, Hao

The atomic structure and electronic transport properties of a single hydrogen molecule connected to both symmetric and asymmetric Cu electrodes are investigated by using the non-equilibrium Green’s function formalism combined with the density functional theory. Our calculations show that in symmetric Cu–H{sub 2}–Cu junctions, the low-bias conductance drops rapidly upon stretching, while asymmetric ones present a low-bias conductance spanning the 0.2–0.3 G{sub 0} interval for a wide range of electrode separations. This is in good agreement with experiments on Cu atomic contacts in a hydrogen environment. Furthermore, the distribution of the calculated vibrational energies of the two hydrogen atoms inmore » the asymmetric Cu–H{sub 2}–Cu junction is also consistent with experiments. These findings provide clear evidence for the formation of asymmetric Cu–H{sub 2}–Cu molecular junctions in breaking Cu atomic contacts in the presence of hydrogen and are also helpful for the design of molecular devices with Cu electrodes.« less

Adsorption of squaraine molecules to Au(111) and Ag(001) surfaces

NASA Astrophysics Data System (ADS)

Luft, Maike; Groß, Boris; Schulz, Matthias; Lützen, Arne; Schiek, Manuela; Nilius, Niklas

2018-02-01

The adsorption of anilino squaraines, an important chromophore for the use in organic solar cells, to Ag(001) and Au(111) has been studied with scanning tunneling microscopy. Self-assembly into square building blocks with eight molecules per unit cell is revealed on the Ag surface, while no ordering effects occur on gold. The squaraine-silver interaction is mediated by the carbonyl and hydroxyl oxygens located in the center of the molecule. The intermolecular coupling, on the other hand, is governed by hydrogen bonds formed between the terminal isobutyl groups and oxygen species of adjacent molecules. The latter gets maximized by rotating the molecules by a few degrees against a perfect square alignment. A similar molecular pattern does not form on Au(111) due to symmetry mismatch. Moreover, the high electronegativity of gold reduces the directing effect of oxygen-metal bonds that trigger the ordering process on silver. As a consequence, only frustrated three-fold symmetric units that do not expand into an ordered molecular network are present on the gold surface.

Self-assembly of active colloidal molecules with dynamic function

NASA Astrophysics Data System (ADS)

Soto, Rodrigo; Golestanian, Ramin

2015-05-01

Catalytically active colloids maintain nonequilibrium conditions in which they produce and deplete chemicals and hence effectively act as sources and sinks of molecules. While individual colloids that are symmetrically coated do not exhibit any form of dynamical activity, the concentration fields resulting from their chemical activity decay as 1 /r and produce gradients that attract or repel other colloids depending on their surface chemistry and ambient variables. This results in a nonequilibrium analog of ionic systems, but with the remarkable novel feature of action-reaction symmetry breaking. We study solutions of such chemically active colloids in dilute conditions when they join up to form molecules via generalized ionic bonds and discuss how we can achieve structures with time-dependent functionality. In particular, we study a molecule that adopts a spontaneous oscillatory pattern of conformations and another that exhibits a run-and-tumble dynamics similar to bacteria. Our study shows that catalytically active colloids could be used for designing self-assembled structures that possess dynamical functionalities that are determined by their prescribed three-dimensional structures, a strategy that follows the design principle of proteins.

Symmetric autocompensating quantum key distribution

NASA Astrophysics Data System (ADS)

Walton, Zachary D.; Sergienko, Alexander V.; Levitin, Lev B.; Saleh, Bahaa E. A.; Teich, Malvin C.

2004-08-01

We present quantum key distribution schemes which are autocompensating (require no alignment) and symmetric (Alice and Bob receive photons from a central source) for both polarization and time-bin qubits. The primary benefit of the symmetric configuration is that both Alice and Bob may have passive setups (neither Alice nor Bob is required to make active changes for each run of the protocol). We show that both the polarization and the time-bin schemes may be implemented with existing technology. The new schemes are related to previously described schemes by the concept of advanced waves.

Magnetospectroscopy of symmetric and anti-symmetric states in double quantum wells

NASA Astrophysics Data System (ADS)

Marchewka, M.; Sheregii, E. M.; Tralle, I.; Ploch, D.; Tomaka, G.; Furdak, M.; Kolek, A.; Stadler, A.; Mleczko, K.; Zak, D.; Strupinski, W.; Jasik, A.; Jakiela, R.

2008-02-01

The experimental results obtained for magnetotransport in the InGaAs/InAlAs double quantum well (DQW) structures of two different shapes of wells are reported. A beating effect occurring in the Shubnikov-de Haas (SdH) oscillations was observed for both types of structures at low temperatures in the parallel transport when the magnetic field was perpendicular to the layers. An approach for the calculation of the Landau level energies for DQW structures was developed and then applied to the analysis and interpretation of the experimental data related to the beating effect. We also argue that in order to account for the observed magnetotransport phenomena (SdH and integer quantum Hall effect), one should introduce two different quasi-Fermi levels characterizing two electron subsystems regarding the symmetry properties of their states, symmetric and anti-symmetric ones, which are not mixed by electron-electron interaction.

Generalized geometry and non-symmetric metric gravity

NASA Astrophysics Data System (ADS)

Jurčo, Branislav; Khoo, Fech Scen; Schupp, Peter; Vysoký, Jan

2016-04-01

Generalized geometry provides the framework for a systematic approach to non-symmetric metric gravity theory and naturally leads to an Einstein-Kalb-Ramond gravity theory with totally anti-symmetric contortion. The approach is related to the study of the low-energy effective closed string gravity actions.

Filtering microfluidic bubble trains at a symmetric junction.

PubMed

Parthiban, Pravien; Khan, Saif A

2012-02-07

We report how a nominally symmetric microfluidic junction can be used to sort all bubbles of an incoming train exclusively into one of its arms. The existence of this "filter" regime is unexpected, given that the junction is symmetric. We analyze this behavior by quantifying how bubbles modulate the hydrodynamic resistance in microchannels and show how speeding up a bubble train whilst preserving its spatial periodicity can lead to filtering at a nominally symmetric junction. We further show how such an asymmetric traffic of bubble trains can be triggered in symmetric geometries by identifying conditions wherein the resistance to flow decreases with an increase in the number of bubbles in the microchannel and derive an exact criterion to predict the same.

Search for Resonances Decaying to Top and Bottom Quarks with the CDF Experiment.

PubMed

Aaltonen, T; Amerio, S; Amidei, D; Anastassov, A; Annovi, A; Antos, J; Anzà, F; Apollinari, G; Appel, J A; Arisawa, T; Artikov, A; Asaadi, J; Ashmanskas, W; Auerbach, B; Aurisano, A; Azfar, F; Badgett, W; Bae, T; Barbaro-Galtieri, A; Barnes, V E; Barnett, B A; Barria, P; Bartos, P; Bauce, M; Bedeschi, F; Behari, S; Bellettini, G; Bellinger, J; Benjamin, D; Beretvas, A; Bhatti, A; Bianchi, L; Bland, K R; Blumenfeld, B; Bocci, A; Bodek, A; Bortoletto, D; Boudreau, J; Boveia, A; Brigliadori, L; Bromberg, C; Brucken, E; Budagov, J; Budd, H S; Burkett, K; Busetto, G; Bussey, P; Butti, P; Buzatu, A; Calamba, A; Camarda, S; Campanelli, M; Canelli, F; Carls, B; Carlsmith, D; Carosi, R; Carrillo, S; Casal, B; Casarsa, M; Castro, A; Catastini, P; Cauz, D; Cavaliere, V; Cerri, A; Cerrito, L; Chen, Y C; Chertok, M; Chiarelli, G; Chlachidze, G; Cho, K; Chokheli, D; Clark, A; Clarke, C; Convery, M E; Conway, J; Corbo, M; Cordelli, M; Cox, C A; Cox, D J; Cremonesi, M; Cruz, D; Cuevas, J; Culbertson, R; d'Ascenzo, N; Datta, M; de Barbaro, P; Demortier, L; Deninno, M; D'Errico, M; Devoto, F; Di Canto, A; Di Ruzza, B; Dittmann, J R; Donati, S; D'Onofrio, M; Dorigo, M; Driutti, A; Ebina, K; Edgar, R; Elagin, A; Erbacher, R; Errede, S; Esham, B; Farrington, S; Fernández Ramos, J P; Field, R; Flanagan, G; Forrest, R; Franklin, M; Freeman, J C; Frisch, H; Funakoshi, Y; Galloni, C; Garfinkel, A F; Garosi, P; Gerberich, H; Gerchtein, E; Giagu, S; Giakoumopoulou, V; Gibson, K; Ginsburg, C M; Giokaris, N; Giromini, P; Glagolev, V; Glenzinski, D; Gold, M; Goldin, D; Golossanov, A; Gomez, G; Gomez-Ceballos, G; Goncharov, M; González López, O; Gorelov, I; Goshaw, A T; Goulianos, K; Gramellini, E; Grosso-Pilcher, C; Group, R C; Guimaraes da Costa, J; Hahn, S R; Han, J Y; Happacher, F; Hara, K; Hare, M; Harr, R F; Harrington-Taber, T; Hatakeyama, K; Hays, C; Heinrich, J; Herndon, M; Hocker, A; Hong, Z; Hopkins, W; Hou, S; Hughes, R E; Husemann, U; Hussein, M; Huston, J; Introzzi, G; Iori, M; Ivanov, A; James, E; Jang, D; Jayatilaka, B; Jeon, E J; Jindariani, S; Jones, M; Joo, K K; Jun, S Y; Junk, T R; Kambeitz, M; Kamon, T; Karchin, P E; Kasmi, A; Kato, Y; Ketchum, W; Keung, J; Kilminster, B; Kim, D H; Kim, H S; Kim, J E; Kim, M J; Kim, S H; Kim, S B; Kim, Y J; Kim, Y K; Kimura, N; Kirby, M; Knoepfel, K; Kondo, K; Kong, D J; Konigsberg, J; Kotwal, A V; Kreps, M; Kroll, J; Kruse, M; Kuhr, T; Kurata, M; Laasanen, A T; Lammel, S; Lancaster, M; Lannon, K; Latino, G; Lee, H S; Lee, J S; Leo, S; Leone, S; Lewis, J D; Limosani, A; Lipeles, E; Lister, A; Liu, H; Liu, Q; Liu, T; Lockwitz, S; Loginov, A; Lucchesi, D; Lucà, A; Lueck, J; Lujan, P; Lukens, P; Lungu, G; Lys, J; Lysak, R; Madrak, R; Maestro, P; Malik, S; Manca, G; Manousakis-Katsikakis, A; Marchese, L; Margaroli, F; Marino, P; Matera, K; Mattson, M E; Mazzacane, A; Mazzanti, P; McNulty, R; Mehta, A; Mehtala, P; Mesropian, C; Miao, T; Mietlicki, D; Mitra, A; Miyake, H; Moed, S; Moggi, N; Moon, C S; Moore, R; Morello, M J; Mukherjee, A; Muller, Th; Murat, P; Mussini, M; Nachtman, J; Nagai, Y; Naganoma, J; Nakano, I; Napier, A; Nett, J; Neu, C; Nigmanov, T; Nodulman, L; Noh, S Y; Norniella, O; Oakes, L; Oh, S H; Oh, Y D; Oksuzian, I; Okusawa, T; Orava, R; Ortolan, L; Pagliarone, C; Palencia, E; Palni, P; Papadimitriou, V; Parker, W; Pauletta, G; Paulini, M; Paus, C; Phillips, T J; Piacentino, G; Pianori, E; Pilot, J; Pitts, K; Plager, C; Pondrom, L; Poprocki, S; Potamianos, K; Pranko, A; Prokoshin, F; Ptohos, F; Punzi, G; Redondo Fernández, I; Renton, P; Rescigno, M; Rimondi, F; Ristori, L; Robson, A; Rodriguez, T; Rolli, S; Ronzani, M; Roser, R; Rosner, J L; Ruffini, F; Ruiz, A; Russ, J; Rusu, V; Sakumoto, W K; Sakurai, Y; Santi, L; Sato, K; Saveliev, V; Savoy-Navarro, A; Schlabach, P; Schmidt, E E; Schwarz, T; Scodellaro, L; Scuri, F; Seidel, S; Seiya, Y; Semenov, A; Sforza, F; Shalhout, S Z; Shears, T; Shepard, P F; Shimojima, M; Shochet, M; Shreyber-Tecker, I; Simonenko, A; Sliwa, K; Smith, J R; Snider, F D; Song, H; Sorin, V; St Denis, R; Stancari, M; Stentz, D; Strologas, J; Sudo, Y; Sukhanov, A; Suslov, I; Takemasa, K; Takeuchi, Y; Tang, J; Tecchio, M; Teng, P K; Thom, J; Thomson, E; Thukral, V; Toback, D; Tokar, S; Tollefson, K; Tomura, T; Tonelli, D; Torre, S; Torretta, D; Totaro, P; Trovato, M; Ukegawa, F; Uozumi, S; Vázquez, F; Velev, G; Vellidis, C; Vernieri, C; Vidal, M; Vilar, R; Vizán, J; Vogel, M; Volpi, G; Wagner, P; Wallny, R; Wang, S M; Waters, D; Wester, W C; Whiteson, D; Wicklund, A B; Wilbur, S; Williams, H H; Wilson, J S; Wilson, P; Winer, B L; Wittich, P; Wolbers, S; Wolfe, H; Wright, T; Wu, X; Wu, Z; Yamamoto, K; Yamato, D; Yang, T; Yang, U K; Yang, Y C; Yao, W-M; Yeh, G P; Yi, K; Yoh, J; Yorita, K; Yoshida, T; Yu, G B; Yu, I; Zanetti, A M; Zeng, Y; Zhou, C; Zucchelli, S

2015-08-07

We report on a search for charged massive resonances decaying to top (t) and bottom (b) quarks in the full data set of proton-antiproton collisions at a center-of-mass energy of √[s]=1.96  TeV collected by the CDF II detector at the Tevatron, corresponding to an integrated luminosity of 9.5  fb(-1). No significant excess above the standard model background prediction is observed. We set 95% Bayesian credibility mass-dependent upper limits on the heavy charged-particle production cross section times branching ratio to tb. Using a standard model extension with a W'→tb and left-right-symmetric couplings as a benchmark model, we constrain the W' mass and couplings in the 300-900  GeV/c(2) range. The limits presented here are the most stringent for a charged resonance with mass in the range 300-600  GeV/c(2) decaying to top and bottom quarks.

Search for resonances decaying to top and bottom quarks with the CDF experiment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aaltonen, Timo Antero

2015-08-03

We report on a search for charged massive resonances decaying to top (t) and bottom (b) quarks in the full data set of proton-antiproton collisions at a center-of-mass energy of √s = 1.96 TeV collected by the CDF II detector at the Tevatron, corresponding to an integrated luminosity of 9.5 fb –1. No significant excess above the standard model background prediction is observed. We set 95% Bayesian credibility mass-dependent upper limits on the heavy charged-particle production cross section times branching ratio to tb. Using a standard model extension with a W' → tb and left-right-symmetric couplings as a benchmark model,more » we constrain the W' mass and couplings in the 300–900 GeV/c 2 range. As a result, the limits presented here are the most stringent for a charged resonance with mass in the range 300–600 GeV/c 2 decaying to top and bottom quarks.« less

Symmetric and antisymmetric forms of the Pauli master equation.

PubMed

Klimenko, A Y

2016-07-21

When applied to matter and antimatter states, the Pauli master equation (PME) may have two forms: time-symmetric, which is conventional, and time-antisymmetric, which is suggested in the present work. The symmetric and antisymmetric forms correspond to symmetric and antisymmetric extensions of thermodynamics from matter to antimatter - this is demonstrated by proving the corresponding H-theorem. The two forms are based on the thermodynamic similarity of matter and antimatter and differ only in the directions of thermodynamic time for matter and antimatter (the same in the time-symmetric case and the opposite in the time-antisymmetric case). We demonstrate that, while the symmetric form of PME predicts an equibalance between matter and antimatter, the antisymmetric form of PME favours full conversion of antimatter into matter. At this stage, it is impossible to make an experimentally justified choice in favour of the symmetric or antisymmetric versions of thermodynamics since we have no experience of thermodynamic properties of macroscopic objects made of antimatter, but experiments of this kind may become possible in the future.

Symmetric and antisymmetric forms of the Pauli master equation

PubMed Central

Klimenko, A. Y.

2016-01-01

When applied to matter and antimatter states, the Pauli master equation (PME) may have two forms: time-symmetric, which is conventional, and time-antisymmetric, which is suggested in the present work. The symmetric and antisymmetric forms correspond to symmetric and antisymmetric extensions of thermodynamics from matter to antimatter — this is demonstrated by proving the corresponding H-theorem. The two forms are based on the thermodynamic similarity of matter and antimatter and differ only in the directions of thermodynamic time for matter and antimatter (the same in the time-symmetric case and the opposite in the time-antisymmetric case). We demonstrate that, while the symmetric form of PME predicts an equibalance between matter and antimatter, the antisymmetric form of PME favours full conversion of antimatter into matter. At this stage, it is impossible to make an experimentally justified choice in favour of the symmetric or antisymmetric versions of thermodynamics since we have no experience of thermodynamic properties of macroscopic objects made of antimatter, but experiments of this kind may become possible in the future. PMID:27440454

Synthesis of single-molecule nanocars.

PubMed

Vives, Guillaume; Tour, James M

2009-03-17

The drive to miniaturize devices has led to a variety of molecular machines inspired by macroscopic counterparts such as molecular motors, switches, shuttles, turnstiles, barrows, elevators, and nanovehicles. Such nanomachines are designed for controlled mechanical motion and the transport of nanocargo. As researchers miniaturize devices, they can consider two complementary approaches: (1) the "top-down" approach, which reduces the size of macroscopic objects to reach an equivalent microscopic entity using photolithography and related techniques and (2) the "bottom-up" approach, which builds functional microscopic or nanoscopic entities from molecular building blocks. The top-down approach, extensively used by the semiconductor industry, is nearing its scaling limits. On the other hand, the bottom-up approach takes advantage of the self-assembly of smaller molecules into larger networks by exploiting typically weak molecular interactions. But self-assembly alone will not permit complex assembly. Using nanomachines, we hope to eventually consider complex, enzyme-like directed assembly. With that ultimate goal, we are currently exploring the control of nanomachines that would provide a basis for the future bottom-up construction of complex systems. This Account describes the synthesis of a class of molecular machines that resemble macroscopic vehicles. We designed these so-called nanocars for study at the single-molecule level by scanning probe microscopy (SPM). The vehicles have a chassis connected to wheel-terminated axles and convert energy inputs such as heat, electric fields, or light into controlled motion on a surface, ultimately leading to transport of nanocargo. At first, we used C(60) fullerenes as wheels, which allowed the demonstration of a directional rolling mechanism of a nanocar on a gold surface by STM. However, because of the low solubility of the fullerene nanocars and the incompatibility of fullerenes with photochemical processes, we developed new

The emergence of top-down proteomics in clinical research

PubMed Central

2013-01-01

Proteomic technology has advanced steadily since the development of 'soft-ionization' techniques for mass-spectrometry-based molecular identification more than two decades ago. Now, the large-scale analysis of proteins (proteomics) is a mainstay of biological research and clinical translation, with researchers seeking molecular diagnostics, as well as protein-based markers for personalized medicine. Proteomic strategies using the protease trypsin (known as bottom-up proteomics) were the first to be developed and optimized and form the dominant approach at present. However, researchers are now beginning to understand the limitations of bottom-up techniques, namely the inability to characterize and quantify intact protein molecules from a complex mixture of digested peptides. To overcome these limitations, several laboratories are taking a whole-protein-based approach, in which intact protein molecules are the analytical targets for characterization and quantification. We discuss these top-down techniques and how they have been applied to clinical research and are likely to be applied in the near future. Given the recent improvements in mass-spectrometry-based proteomics and stronger cooperation between researchers, clinicians and statisticians, both peptide-based (bottom-up) strategies and whole-protein-based (top-down) strategies are set to complement each other and help researchers and clinicians better understand and detect complex disease phenotypes. PMID:23806018

Topological States in Partially-PT -Symmetric Azimuthal Potentials

NASA Astrophysics Data System (ADS)

Kartashov, Yaroslav V.; Konotop, Vladimir V.; Torner, Lluis

2015-11-01

We introduce partially-parity-time (p PT ) -symmetric azimuthal potentials composed from individual PT -symmetric cells located on a ring, where two azimuthal directions are nonequivalent in a sense that in such potential excitations carrying topological dislocations exhibit different dynamics for different directions of energy circulation in the initial field distribution. Such nonconservative ratchetlike structures support rich families of stable vortex solitons in cubic nonlinear media, whose properties depend on the sign of the topological charge due to the nonequivalence of azimuthal directions. In contrast, oppositely charged vortex solitons remain equivalent in similar fully-P T -symmetric potentials. The vortex solitons in the p P T - and P T -symmetric potentials are shown to feature qualitatively different internal current distributions, which are described by different discrete rotation symmetries of the intensity profiles.

Topologically protected bound states in photonic parity-time-symmetric crystals.

PubMed

Weimann, S; Kremer, M; Plotnik, Y; Lumer, Y; Nolte, S; Makris, K G; Segev, M; Rechtsman, M C; Szameit, A

2017-04-01

Parity-time (PT)-symmetric crystals are a class of non-Hermitian systems that allow, for example, the existence of modes with real propagation constants, for self-orthogonality of propagating modes, and for uni-directional invisibility at defects. Photonic PT-symmetric systems that also support topological states could be useful for shaping and routing light waves. However, it is currently debated whether topological interface states can exist at all in PT-symmetric systems. Here, we show theoretically and demonstrate experimentally the existence of such states: states that are localized at the interface between two topologically distinct PT-symmetric photonic lattices. We find analytical closed form solutions of topological PT-symmetric interface states, and observe them through fluorescence microscopy in a passive PT-symmetric dimerized photonic lattice. Our results are relevant towards approaches to localize light on the interface between non-Hermitian crystals.

Fragmentation of Small Molecules by Photo-Double Ionization

NASA Astrophysics Data System (ADS)

Osipov, Timur

2008-05-01

Molecular structure, formation, breakup pathways and recombination formed the subject of many theoretical and experimental studies. Among molecular species like H2, CO, N2, O2 recently great attention has been paid to the dynamics of the fragmentations and rearrangements of C2H2 molecule. Nature's smallest stable hydrocarbon, the symmetric linear acetylene molecule, C2H2, is an important polyatomic system for the study of photo initiated processes. Important features of the intramolecular dynamics in neutral acetylene have been revealed over many years through numerous spectroscopic studies. More recently, the availability of synchrotron radiation and intense laser sources has lead to intriguing studies of the ionization, isomerization and breakup dynamics of acetylene ions. Of particular interest are the yields into the symmetric (CH^+/CH^+), deprotonation (HCC^+/H^+) and quasi-symmetric (HHC^+/C^+) channels, the latter involving isomerization from the neutral acetylene structure into the vinylidene configuration prior to breakup. One expects that the products of dissociation, their kinetic energy releases (KER) and the isomerization times will depend on the particular initial electronic states of the dication involved, but such detailed information has heretofore not been available. We will present the results of the experiment where the dication of acetylene is prepared by Auger decay following core-level X-ray photoionization. Cold Target Recoil Ion Momentum Spectroscopy technique was used to measure the corresponding 3d momentum vectors of Auger electrons and recoil ions in coincidence. We will show that this experimental approach, in combination with ab initio quantum mechanical calculations, can yield a comprehensive map of the two-body dissociation pathways including transition through different electronic energy surfaces, barriers to direct dissociation and the associated rearrangement channels. Work done in collaboration with T. Rescigno, T. Weber, S

The vibrational excitation of hot molecules by low energy electron impact

NASA Astrophysics Data System (ADS)

Kato, H.; Ohkawa, M.; Hoshino, M.; Campbell, L.; Brunger, M. J.; Tanaka, H.

2010-01-01

We report vibrational excitation functions and angular distributions for electron scattering from the ground vibrational quantum (000), the bending vibrational quantum (010) and the unresolved first bending overtone (020) and symmetric stretch (100) modes of the ground-electronic state in hot (750 K) carbon dioxide (CO2) molecules. The excitation function measurements were carried out at incident electron energies in the range of 1-9 eV, and at the electron scattering angles of 30°, 60°, 90° and 120°.

Symmetric polynomials in information theory: Entropy and subentropy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jozsa, Richard; Mitchison, Graeme

2015-06-15

Entropy and other fundamental quantities of information theory are customarily expressed and manipulated as functions of probabilities. Here we study the entropy H and subentropy Q as functions of the elementary symmetric polynomials in the probabilities and reveal a series of remarkable properties. Derivatives of all orders are shown to satisfy a complete monotonicity property. H and Q themselves become multivariate Bernstein functions and we derive the density functions of their Levy-Khintchine representations. We also show that H and Q are Pick functions in each symmetric polynomial variable separately. Furthermore, we see that H and the intrinsically quantum informational quantitymore » Q become surprisingly closely related in functional form, suggesting a special significance for the symmetric polynomials in quantum information theory. Using the symmetric polynomials, we also derive a series of further properties of H and Q.« less

Symmetric corticobasal degeneration (S-CBD).

PubMed

Hassan, Anhar; Whitwell, Jennifer L; Boeve, Bradley F; Jack, Clifford R; Parisi, Joseph E; Dickson, Dennis W; Josephs, Keith A

2010-03-01

Corticobasal degeneration (CBD) is a neurodegenerative disease characterized pathologically by neuronal loss, gliosis and tau deposition in neocortex, basal ganglia and brainstem. Typical clinical presentation is known as corticobasal syndrome (CBS) and involves the core features of progressive asymmetric rigidity and apraxia, accompanied by other signs of cortical and extrapyramidal dysfunction. Asymmetry is also emphasized on neuroimaging. To describe a series of cases of CBD with symmetric clinical features and to compare clinical and imaging features of these symmetric CBD cases (S-CBD) to typical cases of CBS with CBD pathology. All cases of pathologically confirmed CBD from the Mayo Clinic Rochester database were identified. Clinical records were reviewed and quantitative volumetric analysis of symmetric atrophy on head MRI using atlas based parcellation was performed. Subjects were classified as S-CBD if no differences had been observed between right- and left-sided cortical or extrapyramidal signs or symptoms. S-CBD cases were compared to 10 randomly selected typical CBS cases. Five cases (2 female) met criteria for S-CBD. None had limb dystonia, myoclonus, apraxia or alien limb phenomena. S-CBD cases had significantly less asymmetric atrophy when compared with CBS cases (p=0.009); they were also younger at onset (median 61 versus 66 years, p<0.05) and death (67 versus 73 years, p<0.05). Family history was present in 40% of S-CBD cases. CBD can have a symmetric presentation, clinically and radiologically, in which typical features of CBS, such as limb apraxia, myoclonus, dystonia and alien limb phenomenon, may be absent. Copyright (c) 2009 Elsevier Ltd. All rights reserved.

Simulating Asymmetric Top Impurities in Superfluid Clusters: A para-Water Dopant in para-Hydrogen.

PubMed

Zeng, Tao; Li, Hui; Roy, Pierre-Nicholas

2013-01-03

We present the first simulation study of bosonic clusters doped with an asymmetric top molecule. The path-integral Monte Carlo method with the latest methodological advance in treating rigid-body rotation [Noya, E. G.; Vega, C.; McBride, C. J. Chem. Phys.2011, 134, 054117] is employed to study a para-water impurity in para-hydrogen clusters with up to 20 para-hydrogen molecules. The growth pattern of the doped clusters is similar in nature to that of pure clusters. The para-water molecule appears to rotate freely in the cluster. The presence of para-water substantially quenches the superfluid response of para-hydrogen with respect to the space-fixed frame.

BRAIN TUMOR SEGMENTATION WITH SYMMETRIC TEXTURE AND SYMMETRIC INTENSITY-BASED DECISION FORESTS.

PubMed

Bianchi, Anthony; Miller, James V; Tan, Ek Tsoon; Montillo, Albert

2013-04-01

Accurate automated segmentation of brain tumors in MR images is challenging due to overlapping tissue intensity distributions and amorphous tumor shape. However, a clinically viable solution providing precise quantification of tumor and edema volume would enable better pre-operative planning, treatment monitoring and drug development. Our contributions are threefold. First, we design efficient gradient and LBPTOP based texture features which improve classification accuracy over standard intensity features. Second, we extend our texture and intensity features to symmetric texture and symmetric intensity which further improve the accuracy for all tissue classes. Third, we demonstrate further accuracy enhancement by extending our long range features from 100mm to a full 200mm. We assess our brain segmentation technique on 20 patients in the BraTS 2012 dataset. Impact from each contribution is measured and the combination of all the features is shown to yield state-of-the-art accuracy and speed.

The structure and properties of a simple model mixture of amphiphilic molecules and ions at a solid surface

NASA Astrophysics Data System (ADS)

Pizio, O.; Sokołowski, S.; Sokołowska, Z.

2014-05-01

We investigate microscopic structure, adsorption, and electric properties of a mixture that consists of amphiphilic molecules and charged hard spheres in contact with uncharged or charged solid surfaces. The amphiphilic molecules are modeled as spheres composed of attractive and repulsive parts. The electrolyte component of the mixture is considered in the framework of the restricted primitive model (RPM). The system is studied using a density functional theory that combines fundamental measure theory for hard sphere mixtures, weighted density approach for inhomogeneous charged hard spheres, and a mean-field approximation to describe anisotropic interactions. Our principal focus is in exploring the effects brought by the presence of ions on the distribution of amphiphilic particles at the wall, as well as the effects of amphiphilic molecules on the electric double layer formed at solid surface. In particular, we have found that under certain thermodynamic conditions a long-range translational and orientational order can develop. The presence of amphiphiles produces changes of the shape of the differential capacitance from symmetric or non-symmetric bell-like to camel-like. Moreover, for some systems the value of the potential of the zero charge is non-zero, in contrast to the RPM at a charged surface.

Young—Capelli symmetrizers in superalgebras†

PubMed Central

Brini, Andrea; Teolis, Antonio G. B.

1989-01-01

Let Supern[U [unk] V] be the nth homogeneous subspace of the supersymmetric algebra of U [unk] V, where U and V are Z2-graded vector spaces over a field K of characteristic zero. The actions of the general linear Lie superalgebras pl(U) and pl(V) span two finite-dimensional K-subalgebras B and [unk] of EndK(Supern[U [unk] V]) that are the centralizers of each other. Young—Capelli symmetrizers and Young—Capelli *-symmetrizers give rise to K-linear bases of B and [unk] containing orthogonal systems of idempotents; thus they yield complete decompositions of B and [unk] into minimal left and right ideals, respectively. PMID:16594014

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.

Decomposition of a symmetric second-order tensor

NASA Astrophysics Data System (ADS)

Heras, José A.

2018-05-01

In the three-dimensional space there are different definitions for the dot and cross products of a vector with a second-order tensor. In this paper we show how these products can uniquely be defined for the case of symmetric tensors. We then decompose a symmetric second-order tensor into its ‘dot’ part, which involves the dot product, and the ‘cross’ part, which involves the cross product. For some physical applications, this decomposition can be interpreted as one in which the dot part identifies with the ‘parallel’ part of the tensor and the cross part identifies with the ‘perpendicular’ part. This decomposition of a symmetric second-order tensor may be suitable for undergraduate courses of vector calculus, mechanics and electrodynamics.

Single-molecule designs for electric switches and rectifiers.

PubMed

Kornilovitch, Pavel; Bratkovsky, Alexander; Williams, Stanley

2003-12-01

A design for molecular rectifiers is proposed. Current rectification is based on the spatial asymmetry of a molecule and requires only one resonant conducting molecular orbital. Rectification is caused by asymmetric coupling of the orbital to the electrodes, which results in asymmetric movement of the two Fermi levels with respect to the orbital under external bias. Results from numerical studies of the family of suggested molecular rectifiers, HS-(CH(2))(n)-C(6)H(4)(CH(2))(m)SH, are presented. Current rectification ratios in excess of 100 are achievable for n = 2 and m > 6. A class of bistable stator-rotor molecules is proposed. The stationary part connects the two electrodes and facilitates electron transport between them. The rotary part, which has a large dipole moment, is attached to an atom of the stator via a single sigma bond. Electrostatic bonds formed between the oxygen atom of the rotor and hydrogen atoms of the stator make the symmetric orientation of the dipole unstable. The rotor has two potential minima with equal energy for rotation about the sigma bond. The dipole can be flipped between the two states by an external electric field. Both rotor-orientation states have asymmetric current-voltage characteristics that are the reverse of each other, so they are distinguishable electrically. Theoretical results on conformation, energy barriers, retention times, switching voltages, and current-voltage characteristics are presented for a particular stator-rotor molecule. Such molecules could be the base for single-molecule switches, reversible diodes, and other molecular electronic devices.

Bending wavefunctions for linear molecules

NASA Astrophysics Data System (ADS)

Hirano, Tsuneo; Nagashima, Umpei; Jensen, Per

2018-01-01

The bending motion of a linear triatomic molecule has two unique characteristics: the bending mode is doubly degenerate and only positive values of the bending angle, expressed by the bond angle supplement ρ bar , can be observed. The double degeneracy requires the wavefunction to be described as a two-dimensional oscillator. In the present work, we first review the conventional expressions based on two, symmetrically equivalent normal coordinates. Then we discuss an alternative expression for the bending wavefunction in terms of two geometrical coordinates, the bond angle supplement ρ bar (= π - τ ⩾ 0 , where τ is the bond angle) and the rotation angle χ (0 ⩽ χ < 2 π) describing rotation of the molecule around the molecular axis. In this formalism, defined for the (ρ bar , χ) polar-coordinate space with volume element ρ bar d ρ bar dχ , the one-dimensional wavefunction resulted through re-normalization for χ has zero amplitude at ρ bar = 0 , and the ro-vibrational average of the bending angle, i.e., the expectation value 〈 ρ bar 〉 , attains a non-zero, positive value for any ro-vibrational state including the vibrational ground state. This conclusion appears to cause some controversy since much conventional spectroscopic wisdom insists on 〈 ρ bar 〉 having the value zero.

Foreign molecules and ions in beryl obtained by infrared and visible spectroscopy

NASA Astrophysics Data System (ADS)

Jelić, Ivana; Logar, Mihovil; Milošević, Maja

2017-04-01

Beryl minerals of Serbia were slightly studied in the last century and despite that there is some obtainable data about main characteristics there is a limited amount of information about foreign molecules in the mineral structure. Two beryl samples from different locations in Serbia were examined in detail but infrared spectroscopy (IR) and spectrophotometry (VIS) was used for determination of foreign molecules and ions in the structure and the obtained data is shown in this paper. The infrared (IR) and visible spectra (VIS) of two natural beryl samples indicate the presence of two types of water molecule, Fe2+, Fe3+ ions and CO3. The spectra of two types of water molecules can be recognized with molecular fundamental vibrations at 3687 cm-1 (asymmetric stretching) for type I, at 3574 cm-1 and 3585 cm-1 both symmetric stretching, and with deformation vibrations at 1627 cm-1 and 1632 cm-1 for type II. In range of symmetric stretching there is broad vibrational band which can be explained by presence of water molecules type II near alkali ions. Overtones and combinations of these fundamental vibrations have been identified. The type I molecules have their C2 symmetry axes perpendicular to the crystal C6 axis, while the type II molecules are rotated by 90 degrees and have their C2 symmetry axes parallel to the crystal C6 axis. Vibrational absorption frequency of 1425 cm-1 indicate the presence of CO3. Pale blue beryl is colored according to the relative intensities of two spectral features attributable to iron ions: a) a broad band in the extraordinary ray (Er) at 16000 cm-1 due to Fe2+ in a channel site and b) a broad band in range of 22500-31400 cm-1 in both ordinary ray (Or) and Er due to octahedral Fe3+ in the Al3+ site. Two other features, also attributable to iron, do not produce any visible coloration: a) an absorption edge at 12350 cm-1 in Or is due to Fe2+ in the octahedral site and b) a broad band in Er and Or, centered around 12350 cm-1, is due to Fe2+ in

A parity-time symmetric coherent plasmonic absorber-amplifier

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baum, Brian, E-mail: bbaum@stanford.edu; Dionne, Jennifer, E-mail: jdionne@stanford.edu; Alaeian, Hadiseh

Non-Hermitian parity-time (PT)-symmetric optical potentials have led to a new class of unidirectional photonic components based on the spatially symmetric and balanced inclusion of loss and gain. While most proposed and implemented PT-symmetric optical devices have wavelength-scale dimensions, no physical constraints preclude development of subwavelength PT-symmetric components. We theoretically demonstrate a nanoscale PT-symmetric, all-optical plasmonic modulator capable of phase-controlled amplification and directional absorption. The modulator consists of two deeply subwavelength channels composed of either gain or loss dielectric material, embedded in a metallic cladding. When illuminating on-resonance by two counter-propagating plane waves, the aperture's total output can be modulated bymore » changing the phase offset between the two waves. Modulation depths are greater than 10 dB, with output power varying from less than one half of the incident power to more than six times amplification. Off-resonance, the aperture possesses strong phase-controlled directionality with the output from one side varying from perfect absorption to strong scattering and transmission. The device design provides a platform for nanoscale all-optical modulators with gain while potentially enabling coherent perfect absorption and lasing in a single, compact structure.« less

Symmetric splitting of very light systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grotowski, K.; Majka, Z.; Planeta, R.

1984-10-01

Inclusive and coincidence measurements have been performed to study symmetric products from the reactions 74--186 MeV /sup 12/C+ /sup 40/Ca, 141 MeV /sup 9/Be+ /sup 40/Ca, and 153 MeV /sup 6/Li+ /sup 40/Ca. The binary decay of the composite system has been verified. Energy spectra, angular distributions, and fragment correlations are presented. The total kinetic energies for the symmetric products from these very light composite systems are compared to liquid drop model calculations and fission systematics.

Measuring top-quark polarization in top-pair + missing-energy events.

PubMed

Berger, Edmond L; Cao, Qing-Hong; Yu, Jiang-Hao; Zhang, Hao

2012-10-12

The polarization of a top quark can be sensitive to new physics beyond the standard model. Since the charged lepton from top-quark decay is maximally correlated with the top-quark spin, it is common to measure the polarization from the distribution in the angle between the charged lepton and the top-quark directions. We propose a novel method based on the charged lepton energy fraction and illustrate the method with a detailed simulation of top-quark pairs produced in supersymmetric top squark pair production. We show that the lepton energy ratio distribution that we define is very sensitive to the top-quark polarization but insensitive to the precise measurement of the top-quark energy.

Creation of Functional Micro/Nano Systems through Top-down and Bottom-up Approaches

PubMed Central

Wong, Tak-Sing; Brough, Branden; Ho, Chih-Ming

2009-01-01

Mimicking nature’s approach in creating devices with similar functional complexity is one of the ultimate goals of scientists and engineers. The remarkable elegance of these naturally evolved structures originates from bottom-up self-assembly processes. The seamless integration of top-down fabrication and bottom-up synthesis is the challenge for achieving intricate artificial systems. In this paper, technologies necessary for guided bottom-up assembly such as molecular manipulation, molecular binding, and the self assembling of molecules will be reviewed. In addition, the current progress of synthesizing mechanical devices through top-down and bottom-up approaches will be discussed. PMID:19382535

Molecular Rotation Signals: Molecule Chemistry and Particle Physics

NASA Astrophysics Data System (ADS)

Grabow, Jens-Uwe

2015-06-01

Molecules - large or small - are attractive academic resources, with numerous questions on their chemical behaviour as well as problems in fundamental physics now (or still) waiting to be answered: Targeted by high-resolution spectroscopy, a rotating molecular top can turn into a laboratory for molecule chemistry or a laboratory for particle physics. Once successfully entrained (many species - depending on size and chemical composition - have insufficient vapour pressures or are of transient nature, such that specifically designed pulsed-jet sources are required for their transfer into the gas phase or in-situ generation) into the collision-free environment of a supersonic-jet expansion, each molecular top comes with its own set of challenges, theoretically and experimentally: Multiple internal interactions are causing complicated energy level schemes and the resulting spectra will be rather difficult to predict theoretically. Experimentally, these spectra are difficult to assess and assign. With today's broad-banded chirp microwave techniques, finding and identifying such spectral features have lost their major drawback of being very time consuming for many molecules. For other molecules, the unrivalled resolution and sensitivity of the narrow-banded impulse microwave techniques provide a window to tackle - at the highest precision available to date - fundamental questions in physics, even particle physics - potentially beyond the standard model. Molecular charge distribution, properties of the chemical bond, details on internal dynamics and intermolecular interaction, the (stereo-chemical) molecular structure (including the possibility of their spatial separation) as well as potential evidence for tiny yet significant interactions encode their signature in pure molecular rotation subjected to time-domain microwave spectroscopic techniques. Ongoing exciting technical developments promise rapid progress. We present recent examples from Hannover, new directions, and

Unconventional molecule-resolved current rectification in diamondoid–fullerene hybrids

PubMed Central

Randel, Jason C.; Niestemski, Francis C.; Botello-Mendez, Andrés R.; Mar, Warren; Ndabashimiye, Georges; Melinte, Sorin; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Butova, Ekaterina D.; Fokin, Andrey A.; Schreiner, Peter R.; Charlier, Jean-Christophe; Manoharan, Hari C.

2014-01-01

The unimolecular rectifier is a fundamental building block of molecular electronics. Rectification in single molecules can arise from electron transfer between molecular orbitals displaying asymmetric spatial charge distributions, akin to p–n junction diodes in semiconductors. Here we report a novel all-hydrocarbon molecular rectifier consisting of a diamantane–C60 conjugate. By linking both sp3 (diamondoid) and sp2 (fullerene) carbon allotropes, this hybrid molecule opposingly pairs negative and positive electron affinities. The single-molecule conductances of self-assembled domains on Au(111), probed by low-temperature scanning tunnelling microscopy and spectroscopy, reveal a large rectifying response of the molecular constructs. This specific electronic behaviour is postulated to originate from the electrostatic repulsion of diamantane–C60 molecules due to positively charged terminal hydrogen atoms on the diamondoid interacting with the top electrode (scanning tip) at various bias voltages. Density functional theory computations scrutinize the electronic and vibrational spectroscopic fingerprints of this unique molecular structure and corroborate the unconventional rectification mechanism. PMID:25202942

Geometric multiaxial representation of N -qubit mixed symmetric separable states

NASA Astrophysics Data System (ADS)

SP, Suma; Sirsi, Swarnamala; Hegde, Subramanya; Bharath, Karthik

2017-08-01

The study of N -qubit mixed symmetric separable states is a longstanding challenging problem as no unique separability criterion exists. In this regard, we take up the N -qubit mixed symmetric separable states for a detailed study as these states are of experimental importance and offer an elegant mathematical analysis since the dimension of the Hilbert space is reduced from 2N to N +1 . Since there exists a one-to-one correspondence between the spin-j system and an N -qubit symmetric state, we employ Fano statistical tensor parameters for the parametrization of the spin-density matrix. Further, we use a geometric multiaxial representation (MAR) of the density matrix to characterize the mixed symmetric separable states. Since the separability problem is NP-hard, we choose to study it in the continuum limit where mixed symmetric separable states are characterized by the P -distribution function λ (θ ,ϕ ) . We show that the N -qubit mixed symmetric separable states can be visualized as a uniaxial system if the distribution function is independent of θ and ϕ . We further choose a distribution function to be the most general positive function on a sphere and observe that the statistical tensor parameters characterizing the N -qubit symmetric system are the expansion coefficients of the distribution function. As an example for the discrete case, we investigate the MAR of a uniformly weighted two-qubit mixed symmetric separable state. We also observe that there exists a correspondence between the separability and classicality of states.

Constructing topological models by symmetrization: A projected entangled pair states study

NASA Astrophysics Data System (ADS)

Fernández-González, Carlos; Mong, Roger S. K.; Landon-Cardinal, Olivier; Pérez-García, David; Schuch, Norbert

2016-10-01

Symmetrization of topologically ordered wave functions is a powerful method for constructing new topological models. Here we study wave functions obtained by symmetrizing quantum double models of a group G in the projected entangled pair states (PEPS) formalism. We show that symmetrization naturally gives rise to a larger symmetry group G ˜ which is always non-Abelian. We prove that by symmetrizing on sufficiently large blocks, one can always construct wave functions in the same phase as the double model of G ˜. In order to understand the effect of symmetrization on smaller patches, we carry out numerical studies for the toric code model, where we find strong evidence that symmetrizing on individual spins gives rise to a critical model which is at the phase transitions of two inequivalent toric codes, obtained by anyon condensation from the double model of G ˜.

Design of almost symmetric orthogonal wavelet filter bank via direct optimization.

PubMed

Murugesan, Selvaraaju; Tay, David B H

2012-05-01

It is a well-known fact that (compact-support) dyadic wavelets [based on the two channel filter banks (FBs)] cannot be simultaneously orthogonal and symmetric. Although orthogonal wavelets have the energy preservation property, biorthogonal wavelets are preferred in image processing applications because of their symmetric property. In this paper, a novel method is presented for the design of almost symmetric orthogonal wavelet FB. Orthogonality is structurally imposed by using the unnormalized lattice structure, and this leads to an objective function, which is relatively simple to optimize. The designed filters have good frequency response, flat group delay, almost symmetric filter coefficients, and symmetric wavelet function.

Torsion-rotation structure and quasi-symmetric-rotor behaviour for the CH3SH asymmetric CH3-bending and C-H stretching bands of E parentage

NASA Astrophysics Data System (ADS)

Lees, R. M.; Xu, Li-Hong; Guislain, B. G.; Reid, E. M.; Twagirayezu, S.; Perry, D. S.; Dawadi, M. B.; Thapaliya, B. P.; Billinghurst, B. E.

2018-01-01

High-resolution Fourier transform spectra of the asymmetric methyl-bending and methyl-stretching bands of CH3SH have been recorded employing synchrotron radiation at the FIR beamline of the Canadian Light Source. Analysis of the torsion-rotation structure and relative intensities has revealed the novel feature that for both bend and stretch the in-plane and out-of-plane modes behave much like a Coriolis-coupled l-doublet pair originating from degenerate E modes of a symmetric top. As the axial angular momentum K increases, the energies of the coupled "l = ±1" modes diverge linearly, with effective Coriolis ζ constants typical for symmetric tops. For the methyl-stretching states, separated at K = 0 by only about 1 cm-1, the assigned sub-bands follow a symmetric top Δ(K - l) = 0 selection rule, with only ΔK = -1 transitions observed to the upper l = -1 in-plane A‧ component and only ΔK = +1 transitions to the lower l = +1 out-of-plane A″ component. The K = 0 separation of the CH3-bending states is larger at 9.1 cm-1 with the l-ordering reversed. Here, both ΔK = +1 and ΔK = -1 transitions are seen for each l-component but with a large difference in relative intensity. Term values for the excited state levels have been fitted to J(J + 1) power-series expansions to obtain substate origins. These have then been fitted to a Fourier model to characterize the torsion-K-rotation energy patterns. For both pairs of vibrational states, the torsional energies display the customary oscillatory behaviour as a function of K and have inverted torsional splittings relative to the ground state. The spectra show numerous perturbations, indicating local resonances with the underlying bath of high torsional levels and vibrational combination and overtone states. The overall structure of the two pairs of bands represents a new regime in which the vibrational energy separations, torsional splittings and shifts due to molecular asymmetry are all of the same order, creating a

Self-Similar Subsets of Symmetric Cantor Sets

NASA Astrophysics Data System (ADS)

Zeng, Ying

This paper concerns the affine embeddings of general symmetric Cantor sets. Under certain condition, we show that if a self-similar set F can be affinely embedded into a symmetric Cantor set E, then their contractions are rationally commensurable. Our result supports Conjecture 1.2 in [D. J. Feng, W. Huang and H. Rao, Affine embeddings and intersections of Cantor sets, J. Math. Pures Appl. 102 (2014) 1062-1079].

Spherical Tippe Tops

NASA Astrophysics Data System (ADS)

Cross, Rod

2013-03-01

A tippe top (see Fig. 1) is usually constructed as a truncated sphere with a cylindrical peg on top, as indicated in Fig. 2(a). When spun rapidly on a horizontal surface, a tippe top spins about a vertical axis while rotating slowly about a horizontal axis until the peg touches the surface. At that point, weight is transferred to the peg, the truncated sphere rises off the surface, and the top spins on the peg until it is upright. A feature of a tippe top is that its center of mass, labeled G in Fig. 2, is below the geometric center of the sphere, C, when the top is at rest. That is where it will return if the top is tilted sideways and released since that is the stable equilibrium position. The fact that a tippe top turns upside down when it spins is therefore astonishing. The behavior of a tippe top is quite unlike that of a regular top since the spin axis remains closely vertical the whole time. The center of mass of a regular top can also rise, but the spin axis tilts upward as the top rises and enters a "sleeping" position.

Valley-symmetric quasi-1D transport in ballistic graphene

NASA Astrophysics Data System (ADS)

Lee, Hu-Jong

We present our recent studies on gate-defined valley-symmetric one-dimensional (1D) carrier guiding in ballistic monolayer graphene and valley-symmetry-protected topological 1D transport in ballistic bilayer graphene. Successful carrier guiding was realized in ballistic monolayer graphene even in the absence of a band gap by inducing a high distinction ( more than two orders of magnitude) in the carrier density between the region of a quasi-1D channel and the rest of the top-gated regions. Conductance of a channel shows quantized values in units of 4e2/ h, suggesting that the valley symmetry is preserved. For the latter, the topological 1D conduction was realized between two closely arranged insulating regions with inverted band gaps, induced under a pair of split dual gating with polarities opposite to each other. The maximum conductance along the boundary channel showed 4e2/ h, again with the preserved valley symmetry. The 1D topological carrier guiding demonstrated in this study affords a promising route to robust valleytronic applications and sophisticated valley-associated functionalities based on 2D materials. This work was funded by the National Research Foundation of Korea.

A single-molecule diode

NASA Astrophysics Data System (ADS)

Elbing, Mark; Ochs, Rolf; Koentopp, Max; Fischer, Matthias; von Hänisch, Carsten; Weigend, Florian; Evers, Ferdinand; Weber, Heiko B.; Mayor, Marcel

2005-06-01

We have designed and synthesized a molecular rod that consists of two weakly coupled electronic π -systems with mutually shifted energy levels. The asymmetry thus implied manifests itself in a current-voltage characteristic with pronounced dependence on the sign of the bias voltage, which makes the molecule a prototype for a molecular diode. The individual molecules were immobilized by sulfur-gold bonds between both electrodes of a mechanically controlled break junction, and their electronic transport properties have been investigated. The results indeed show diode-like current-voltage characteristics. In contrast to that, control experiments with symmetric molecular rods consisting of two identical π -systems did not show significant asymmetries in the transport properties. To investigate the underlying transport mechanism, phenomenological arguments are combined with calculations based on density functional theory. The theoretical analysis suggests that the bias dependence of the polarizability of the molecule feeds back into the current leading to an asymmetric shape of the current-voltage characteristics, similar to the phenomena in a semiconductor diode. Author contributions: F.E., H.B.W., and M.M. designed research; M.E., R.O., M.K., M.F., F.E., H.B.W., and M.M. performed research; M.E., R.O., M.K., M.F., C.v.H., F.W., F.E., H.B.W., and M.M. contributed new reagents/analytic tools; M.E., R.O., M.K., C.v.H., F.E., H.B.W., and M.M. analyzed data; and F.E., H.B.W., and M.M. wrote the paper.This paper was submitted directly (Track II) to the PNAS office.Abbreviations: A, acceptor; D, donor; MCB, mechanically controlled break junction.Data deposition: The atomic coordinates have been deposited in the Cambridge Structural Database, Cambridge Crystallographic Data Centre, Cambridge CB2 1EZ, United Kingdom (CSD reference no. 241632).

Symmetric Electrodes for Electrochemical Energy-Storage Devices.

PubMed

Zhang, Lei; Dou, Shi Xue; Liu, Hua Kun; Huang, Yunhui; Hu, Xianluo

2016-12-01

Increasing environmental problems and energy challenges have so far attracted urgent demand for developing green and efficient energy-storage systems. Among various energy-storage technologies, sodium-ion batteries (SIBs), electrochemical capacitors (ECs) and especially the already commercialized lithium-ion batteries (LIBs) are playing very important roles in the portable electronic devices or the next-generation electric vehicles. Therefore, the research for finding new electrode materials with reduced cost, improved safety, and high-energy density in these energy storage systems has been an important way to satisfy the ever-growing demands. Symmetric electrodes have recently become a research focus because they employ the same active materials as both the cathode and anode in the same energy-storage system, leading to the reduced manufacturing cost and simplified fabrication process. Most importantly, this feature also endows the symmetric energy-storage system with improved safety, longer lifetime, and ability of charging in both directions. In this Progress Report, we provide the comprehensive summary and comment on different symmetric electrodes and focus on the research about the applications of symmetric electrodes in different energy-storage systems, such as the above mentioned SIBs, ECs and LIBs. Further considerations on the possibility of mass production have also been presented.

Noncommutative spherically symmetric spacetimes at semiclassical order

NASA Astrophysics Data System (ADS)

Fritz, Christopher; Majid, Shahn

2017-07-01

Working within the recent formalism of Poisson-Riemannian geometry, we completely solve the case of generic spherically symmetric metric and spherically symmetric Poisson-bracket to find a unique answer for the quantum differential calculus, quantum metric and quantum Levi-Civita connection at semiclassical order O(λ) . Here λ is the deformation parameter, plausibly the Planck scale. We find that r, t, d r, d t are all forced to be central, i.e. undeformed at order λ, while for each value of r, t we are forced to have a fuzzy sphere of radius r with a unique differential calculus which is necessarily nonassociative at order λ2 . We give the spherically symmetric quantisation of the FLRW cosmology in detail and also recover a previous analysis for the Schwarzschild black hole, now showing that the quantum Ricci tensor for the latter vanishes at order λ. The quantum Laplace-Beltrami operator for spherically symmetric models turns out to be undeformed at order λ while more generally in Poisson-Riemannian geometry we show that it deforms to □f+λ2ωαβ(Ricγα-Sγα)(∇^βdf)γ+O(λ2) in terms of the classical Levi-Civita connection \\widehat\

Communication: Equivalence between symmetric and antisymmetric stretching modes of NH3 in promoting H + NH3 → H2 + NH2 reaction

NASA Astrophysics Data System (ADS)

Song, Hongwei; Yang, Minghui; Guo, Hua

2016-10-01

Vibrational excitations of reactants sometimes promote reactions more effectively than the same amount of translational energy. Such mode specificity provides insights into the transition-state modulation of reactivity and might be used to control chemical reactions. We report here a state-of-the-art full-dimensional quantum dynamical study of the hydrogen abstraction reaction H + NH3 → H2 + NH2 on an accurate ab initio based global potential energy surface. This reaction serves as an ideal candidate to study the relative efficacies of symmetric and degenerate antisymmetric stretching modes. Strong mode specificity, particularly for the NH3 stretching modes, is demonstrated. It is further shown that nearly identical efficacies of the symmetric and antisymmetric stretching modes of NH3 in promoting the reaction can be understood in terms of local-mode stretching vibrations of the reactant molecule.

Observation and control of coherent torsional dynamics in a quinquethiophene molecule.

PubMed

Cirmi, Giovanni; Brida, Daniele; Gambetta, Alessio; Piacenza, Manuel; Della Sala, Fabio; Favaretto, Laura; Cerullo, Giulio; Lanzani, Guglielmo

2010-07-28

By applying femtosecond pump-probe spectroscopy to a substituted quinquethiophene molecule in solution, we observe in the time domain the coherent torsional dynamics that drives planarization of the excited state. Our interpretation is based on numerical modeling of the ground and excited state potential energy surfaces and simulation of wavepacket dynamics, which reveals two symmetric excited state deactivation pathways per oscillation period. We use the acquired knowledge on torsional dynamics to coherently control the excited state population with a pump-dump scheme, exploiting the non-stationary Franck-Condon overlap between ground and excited states.

Highly-dispersive electromagnetic induced transparency in planar symmetric metamaterials.

PubMed

Lu, Xiqun; Shi, Jinhui; Liu, Ran; Guan, Chunying

2012-07-30

We propose, design and experimentally demonstrate highly-dispersive electromagnetically induced transparency (EIT) in planar symmetric metamaterials actively switched and controlled by angles of incidence. Full-wave simulation and measurement results show EIT phenomena, trapped-mode excitations and the associated local field enhancement of two symmetric metamaterials consisting of symmetrically split rings (SSR) and a fishscale (FS) metamaterial pattern, respectively, strongly depend on angles of incidence. The FS metamaterial shows much broader spectral splitting than the SSR metamaterial due to the surface current distribution variation.

Activity of convective coupled equatorial wave in tropical Tropopause layer in reanalysis and high-top CMIP5 models

NASA Astrophysics Data System (ADS)

Harza, Alia; Lubis, Sandro W.; Setiawan, Sonni

2018-05-01

The activity of convectively coupled equatorial waves (CCEWs), including Kelvin waves, Mixed Rossby-Gravity (MRG), and Equatorial Rossby (ER), in the tropical tropopause layer (TTL) is investigated in the Reanalysis and nine high-top CMIP5 models using the zonal wave number-frequency spectral analysis with equatorially symmetric-antisymmetric decomposition. We found that the TTL activities in the high-top CMIP5 models show significant difference among the high-top CMIP5 models with respect to the observation. The MIROC and HadGEM2-CC models work best in simulating Kelvin wave in the TTL, while the HadGEM2-CC and MPI-ESM-LR models work best in simulating MRG waves. The ER waves in TTL are best simulated in the MRI-CGCM model. None of the models are good in simulating all waves at once. It is concluded that the broad range of wave activity found in the different CMIP5 models depend on the convective parameterization used by each model and the representation of the tropical stratosphere variability, including the QBO.

Tevatron Top-Quark Combinations and World Top-Quark Mass Combination

DOE Office of Scientific and Technical Information (OSTI.GOV)

Peters, Reinhild Yvonne

2014-11-04

Almost 20 years after its discovery, the top quark is still an interesting particle, undergoing precise investigation of its properties. For many years, the Tevatron proton antiproton collider at Fermilab was the only place to study top quarks in detail, while with the recent start of the LHC proton proton collider a top quark factory has opened. An important ingredient for the full understanding of the top quark is the combination of measurements from the individual experiments. In particular, the Tevaton combinations of single top-quark cross sections, the ttbar production cross section, the W helicity in top-quark decays as wellmore » as the Tevatron and the world combination of the top-quark mass are discussed.« less

Top quark pair production and top quark properties at CDF

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moon, Chang-Seong

2016-06-02

We present the most recent measurements of top quark pairs production and top quark properties in proton-antiproton collisions with center-of-mass energy of 1.96 TeV using CDF II detector at the Tevatron. The combination of top pair production cross section measurements and the direct measurement of top quark width are reported. The test of Standard Model predictions for top quark decaying intomore » $b$-quarks, performed by measuring the ratio $R$ between the top quark branching fraction to $b$-quark and the branching fraction to any type of down quark is shown. The extraction of the CKM matrix element $$|V_{tb}|$$ from the ratio $R$ is discussed. We also present the latest measurements on the forward-backward asymmetry ($$A_{FB}$$) in top anti-top quark production. With the full CDF Run II data set, the measurements are performed in top anti-top decaying to final states that contain one or two charged leptons (electrons or muons). In addition, we combine the results of the leptonic forward-backward asymmetry in $$t\\bar t$$ system between the two final states. All the results show deviations from the next-to-leading order (NLO) standard model (SM) calculation.« less

ITFITS model for vibration--translation energy partitioning in atom-- polyatomic molecule collisions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shobatake, K.; Rice, S.A.; Lee, Y.T.

1973-09-01

A model for vibration-translation energy partitioning in the collinear collision of an atom and an axially symmetric polyatonaic molecule is proposed. The model is based on an extension of the ideas of Mahan and Heidrich, Wilson, and Rapp. Comparison of energy transfers computed from classical trajesctory calculations and the model proposed indicate good agreement when the mass of the free atom is small relative to the mass of the bound atom it strikes. The agreement is less satisfactory when that mass ratio becomes large. (auth)

Complex symmetric matrices with strongly stable iterates

NASA Technical Reports Server (NTRS)

Tadmor, E.

1985-01-01

Complex-valued symmetric matrices are studied. A simple expression for the spectral norm of such matrices is obtained, by utilizing a unitarily congruent invariant form. A sharp criterion is provided for identifying those symmetric matrices whose spectral norm is not exceeding one: such strongly stable matrices are usually sought in connection with convergent difference approximations to partial differential equations. As an example, the derived criterion is applied to conclude the strong stability of a Lax-Wendroff scheme.

In situ superexchange electron transfer through a single molecule: a rectifying effect.

PubMed

Kornyshev, Alexei A; Kuznetsov, Alexander M; Ulstrup, Jens

2006-05-02

An increasingly comprehensive body of literature is being devoted to single-molecule bridge-mediated electronic nanojunctions, prompted by their prospective applications in molecular electronics and single-molecule analysis. These junctions may operate in gas phase or electrolyte solution (in situ). For biomolecules, the latter is much closer to their native environment. Convenient target molecules are aromatic molecules, peptides, oligonucleotides, transition metal complexes, and, broadly, molecules with repetitive units, for which the conducting orbitals are energetically well below electronic levels of the solvent. A key feature for these junctions is rectification in the current-voltage relation. A common view is that asymmetric molecules or asymmetric links to the electrodes are needed to acquire rectification. However, as we show here, this requirement could be different in situ, where a structurally symmetric system can provide rectification because of the Debye screening of the electric field in the nanogap if the screening length is smaller than the bridge length. The Galvani potentials of each electrode can be varied independently and lead to a transistor effect. We explore this behavior for the superexchange mechanism of electron transport, appropriate for a wide class of molecules. We also include the effect of conformational fluctuations on the lowest unoccupied molecular orbital (LUMO) energy levels; that gives rise to non-Arrhenius temperature dependence of the conductance, affected by the molecule length. Our study offers an analytical formula for the current-voltage characteristics that demonstrates all these features. A detailed physical interpretation of the results is given with a discussion of reported experimental data.

Complex organic molecules in strongly UV-irradiated gas⋆

PubMed Central

Cuadrado, S.; Goicoechea, J. R.; Cernicharo, J.; Fuente, A.; Pety, J.; Tercero, B.

2017-01-01

We investigate the presence of complex organic molecules (COMs) in strongly UV-irradiated interstellar molecular gas. We have carried out a complete millimetre (mm) line survey using the IRAM 30 m telescope towards the edge of the Orion Bar photodissociation region (PDR), close to the H2 dissociation front, a position irradiated by a very intense far-UV (FUV) radiation field. These observations have been complemented with 8.5″ resolution maps of the H2CO JKa,Kc = 51,5 → 41,4 and C18O J = 3 → 2 emission at 0.9 mm. Despite being a harsh environment, we detect more than 250 lines from COMs and related precursors: H2CO, CH3OH, HCO, H2CCO, CH3CHO, H2CS, HCOOH, CH3CN, CH2NH, HNCO, H213CO, and HC3N (in decreasing order of abundance). For each species, the large number of detected lines allowed us to accurately constrain their rotational temperatures (Trot) and column densities (N). Owing to subthermal excitation and intricate spectroscopy of some COMs (symmetric- and asymmetric-top molecules such as CH3CN and H2CO, respectively), a correct determination of N and Trot requires building rotational population diagrams of their rotational ladders separately. The inferred column densities are in the 1011 – 1013cm−2 range. We also provide accurate upper limit abundances for chemically related molecules that might have been expected, but are not conclusively detected at the edge of the PDR (HDCO, CH3O, CH3NC, CH3CCH, CH3OCH3, HCOOCH3, CH3CH2OH, CH3CH2CN, and CH2CHCN). A non-thermodynamic equilibrium excitation analysis for molecules with known collisional rate coefficients suggests that some COMs arise from different PDR layers but we cannot resolve them spatially. In particular, H2CO and CH3CN survive in the extended gas directly exposed to the strong FUV flux (Tk = 150 – 250 K and Td ≳ 60 K), whereas CH3OH only arises from denser and cooler gas clumps in the more shielded PDR interior (Tk = 40 – 50 K). The non-detection of HDCO towards the PDR edge is

Complex organic molecules in strongly UV-irradiated gas.

PubMed

Cuadrado, S; Goicoechea, J R; Cernicharo, J; Fuente, A; Pety, J; Tercero, B

2017-07-01

We investigate the presence of complex organic molecules (COMs) in strongly UV-irradiated interstellar molecular gas. We have carried out a complete millimetre (mm) line survey using the IRAM 30 m telescope towards the edge of the Orion Bar photodissociation region (PDR), close to the H 2 dissociation front, a position irradiated by a very intense far-UV (FUV) radiation field. These observations have been complemented with 8.5″ resolution maps of the H 2 CO J K a , K c = 5 1,5 → 4 1,4 and C 18 O J = 3 → 2 emission at 0.9 mm. Despite being a harsh environment, we detect more than 250 lines from COMs and related precursors: H 2 CO, CH 3 OH, HCO, H 2 CCO, CH 3 CHO, H 2 CS, HCOOH, CH 3 CN, CH 2 NH, HNCO, [Formula: see text] and HC 3 N (in decreasing order of abundance). For each species, the large number of detected lines allowed us to accurately constrain their rotational temperatures ( T rot ) and column densities ( N ). Owing to subthermal excitation and intricate spectroscopy of some COMs (symmetric- and asymmetric-top molecules such as CH 3 CN and H 2 CO, respectively), a correct determination of N and T rot requires building rotational population diagrams of their rotational ladders separately. The inferred column densities are in the 10 11 - 10 13 cm -2 range. We also provide accurate upper limit abundances for chemically related molecules that might have been expected, but are not conclusively detected at the edge of the PDR (HDCO, CH 3 O, CH 3 NC, CH 3 CCH, CH 3 OCH 3 , HCOOCH 3 , CH 3 CH 2 OH, CH 3 CH 2 CN, and CH 2 CHCN). A non-thermodynamic equilibrium excitation analysis for molecules with known collisional rate coefficients suggests that some COMs arise from different PDR layers but we cannot resolve them spatially. In particular, H 2 CO and CH 3 CN survive in the extended gas directly exposed to the strong FUV flux ( T k = 150 - 250 K and T d ≳ 60 K), whereas CH 3 OH only arises from denser and cooler gas clumps in the more shielded PDR interior

Mixed Quantum/Classical Theory for Molecule-Molecule Inelastic Scattering: Derivations of Equations and Application to N2 + H2 System.

PubMed

Semenov, Alexander; Babikov, Dmitri

2015-12-17

The mixed quantum classical theory, MQCT, for inelastic scattering of two molecules is developed, in which the internal (rotational, vibrational) motion of both collision partners is treated with quantum mechanics, and the molecule-molecule scattering (translational motion) is described by classical trajectories. The resultant MQCT formalism includes a system of coupled differential equations for quantum probability amplitudes, and the classical equations of motion in the mean-field potential. Numerical tests of this theory are carried out for several most important rotational state-to-state transitions in the N2 + H2 system, in a broad range of collision energies. Besides scattering resonances (at low collision energies) excellent agreement with full-quantum results is obtained, including the excitation thresholds, the maxima of cross sections, and even some smaller features, such as slight oscillations of energy dependencies. Most importantly, at higher energies the results of MQCT are nearly identical to the full quantum results, which makes this approach a good alternative to the full-quantum calculations that become computationally expensive at higher collision energies and for heavier collision partners. Extensions of this theory to include vibrational transitions or general asymmetric-top rotor (polyatomic) molecules are relatively straightforward.

Probing scattering mechanisms with symmetric quantum cascade lasers.

PubMed

Deutsch, Christoph; Detz, Hermann; Zederbauer, Tobias; Andrews, Aaron M; Klang, Pavel; Kubis, Tillmann; Klimeck, Gerhard; Schuster, Manfred E; Schrenk, Werner; Strasser, Gottfried; Unterrainer, Karl

2013-03-25

A characteristic feature of quantum cascade lasers is their unipolar carrier transport. We exploit this feature and realize nominally symmetric active regions for terahertz quantum cascade lasers, which should yield equal performance with either bias polarity. However, symmetric devices exhibit a strongly bias polarity dependent performance due to growth direction asymmetries, making them an ideal tool to study the related scattering mechanisms. In the case of an InGaAs/GaAsSb heterostructure, the pronounced interface asymmetry leads to a significantly better performance with negative bias polarity and can even lead to unidirectionally working devices, although the nominal band structure is symmetric. The results are a direct experimental proof that interface roughness scattering has a major impact on transport/lasing performance.

Free radical and overtone spectroscopy

NASA Technical Reports Server (NTRS)

Reilly, James P.

1991-01-01

In the fall of 1987 during a photoacoustic study of hydrogen peroxide's fourth vibrational overtone band, the remarkably clear and well resolved spectrum was observed. Its periodicity and K subband structure suggested that the spectrum was not of hydrogen peroxide but of a smaller near-prolate symmetric top molecule. Furthermore, the time dependent behavior of the signal indicated that chemical changes were taking place within the photoacoustic apparatus.

Top squark with mass close to the top quark

NASA Astrophysics Data System (ADS)

Buckley, Matthew R.; Plehn, Tilman; Ramsey-Musolf, Michael J.

2014-07-01

The most natural supersymmetric solution to the hierarchy problem prefers the scalar top partner to be close in mass to the top quark. Experimental searches exclude top squarks across a wide range of masses, but a gap remains when the difference between the masses of the stop and the lightest supersymmetric particle is close to the top mass. We propose to search for stops in this regime by exploiting the azimuthal angular correlation of forward tagging jets in (s)top pair production. As shown in earlier work, this correlation is sensitive to the spin of the heavy states, allowing one to distinguish between top and stop pair production. Here, we demonstrate that this angular information can give a statistically significant stop pair production signal in the upcoming LHC run. While the appropriate simulation including parton showering and detector simulation requires some care, we find stable predictions for the angular correlation using multijet merging.

Ordinary versus PT-symmetric Φ³ quantum field theory

DOE PAGES

Bender, Carl M.; Branchina, Vincenzo; Messina, Emanuele

2012-04-02

A quantum-mechanical theory is PT-symmetric if it is described by a Hamiltonian that commutes with PT, where the operator P performs space reflection and the operator T performs time reversal. A PT-symmetric Hamiltonian often has a parametric region of unbroken PT symmetry in which the energy eigenvalues are all real. There may also be a region of broken PT symmetry in which some of the eigenvalues are complex. These regions are separated by a phase transition that has been repeatedly observed in laboratory experiments. This paper focuses on the properties of a PT-symmetric igΦ³ quantum field theory. This quantum fieldmore » theory is the analog of the PT-symmetric quantum-mechanical theory described by the Hamiltonian H=p²+ix³, whose eigenvalues have been rigorously shown to be all real. This paper compares the renormalization group properties of a conventional Hermitian gΦ³ quantum field theory with those of the PT-symmetric igΦ³ quantum field theory. It is shown that while the conventional gΦ³ theory in d=6 dimensions is asymptotically free, the igΦ³ theory is like a gΦ⁴ theory in d=4 dimensions; it is energetically stable, perturbatively renormalizable, and trivial.« less

High resolution top-down experimental strategies on the Orbitrap platform.

PubMed

Scheffler, Kai; Viner, Rosa; Damoc, Eugen

2018-03-20

Top-down mass spectrometry (MS) strategies allow in-depth characterization of proteins by fragmentation of the entire molecule(s) inside a mass spectrometer without requiring prior proteolytic digestion. Importantly, the fragmentation techniques on commercially available mass spectrometers have become more versatile over the past decade, with different characteristics in regards to the type and wealth of fragment ions that can be obtained while preserving labile protein post-translational modifications. Due to these and other improvements, top-down MS has become of broader interest and has started to be applied in more disciplines, such as the quality control of recombinant proteins, analysis and characterization of biopharmaceuticals, and clinical biochemistry to probe protein forms as potential disease biomarkers. This article provides a technical overview and guidance for data acquisition strategies on the Orbitrap platform for single proteins and low complexity protein mixtures. A protein standard mixture composed of six recombinant proteins is also introduced and analysis strategies are discussed in detail. The article provides a detailed overview and guidance on how to choose from the variety of available methods for protein characterization by top-down analysis on the Orbitrap platform. Technical details are provided explaining important observations and phenomena when working with intact proteins and data from a number of different samples should serve to provide a solid understanding on how experiments were and should be setup and to set the right expectations on the outcome of these types of experiments. Additionally, a new intact protein standard sample is introduced that will help as a QC sample to check the instrument's hardware and method setup conditions as a requirement for obtaining high quality data from biologically relevant samples. Copyright © 2017 Elsevier B.V. All rights reserved.

Symmetric operation of the resonant exchange qubit

NASA Astrophysics Data System (ADS)

Malinowski, Filip K.; Martins, Frederico; Nissen, Peter D.; Fallahi, Saeed; Gardner, Geoffrey C.; Manfra, Michael J.; Marcus, Charles M.; Kuemmeth, Ferdinand

2017-07-01

We operate a resonant exchange qubit in a highly symmetric triple-dot configuration using IQ-modulated rf pulses. We find that the qubit splitting is an order of magnitude less sensitive to all relevant control voltages, compared to the conventional operating point, but we observe no significant improvement in the quality of Rabi oscillations. For weak driving this is consistent with Overhauser field fluctuations modulating the qubit splitting. For strong driving we infer that effective voltage noise modulates the coupling strength between rf drive and the qubit, thereby quickening Rabi decay. Application of CPMG dynamical decoupling sequences consisting of up to 32 π pulses significantly prolongs qubit coherence, leading to marginally longer dephasing times in the symmetric configuration. This is consistent with dynamical decoupling from low frequency noise, but quantitatively cannot be explained by effective gate voltage noise and Overhauser field fluctuations alone. Our results inform recent strategies for the utilization of symmetric configurations in the operation of triple-dot qubits.

Communication: Equivalence between symmetric and antisymmetric stretching modes of NH 3 in promoting H + NH 3 → H 2 + NH 2 reaction

DOE PAGES

Song, Hongwei; Yang, Minghui; Guo, Hua

2016-10-07

Vibrational excitations of reactants sometimes promote reactions more effectively than the same amount of translational energy. Such mode specificity provides insights into the transition-state modulation of reactivity and might be used to control chemical reactions. We report here a state-ofthe- art full-dimensional quantum dynamical study of the hydrogen abstraction reaction H + NH 3 → H 2 + NH 2 on an accurate ab initio based global potential energy surface. This reaction serves as an ideal candidate to study the relative efficacies of symmetric and degenerate antisymmetric stretching modes. Strong mode specificity, particularly for the NH 3 stretching modes, ismore » demonstrated. In conclusion, it is further shown that nearly identical efficacies of the symmetric and antisymmetric stretching modes of NH 3 in promoting the reaction can be understood in terms of local-mode stretching vibrations of the reactant molecule.« less

Market Exclusivity Time for Top Selling Originator Drugs in Canada: A Cohort Study.

PubMed

Lexchin, Joel

2017-09-01

This study looks at market exclusivity time for the top selling originator drugs in Canada. Total sales for drugs without competition were also calculated. A list of the top selling originator drugs by dollar sales from 2009 to 2015 inclusive, except for 2010, was compiled along with their annual sales. Health Canada databases were used to extract the following information: generic name, date of Notice of Compliance (NOC, date of marketing authorization), whether the product was a small molecule drug or a biologic, and date of NOC for a generic or biosimilar. Market exclusivity time was calculated in days for drugs. A total of 121 drugs were identified. There were 96 small molecule drugs (63 with a generic competitor and 33 with no generic competitor) and 25 biologics (none with a biosimilar competitor). The 63 drugs with a competitor had a mean market exclusivity time of 4478 days (12.3 years) (95% CI 4159-4798). The 58 drugs without competition had total annual sales of Can$8.59 billion and were on the market for a median of 5357 days (14.7 years) (interquartile range 3291-6679) as of January 31, 2017. Top selling originator drugs in Canada have a considerably longer period of market exclusivity than the 8 to 10 years that the research-based pharmaceutical industry claims. Copyright © 2017 International Society for Pharmacoeconomics and Outcomes Research (ISPOR). Published by Elsevier Inc. All rights reserved.

Effect of dividing daylight in symmetric prismatic daylight collector

NASA Astrophysics Data System (ADS)

Yeh, Shih-Chuan; Lu, Ju-Lin; Cheng, Yu-Chin

2017-04-01

This paper presented a symmetric prismatic daylight collector to collect daylight for the natural light illumination system. We analyzed the characteristics of the emerging light when the parallel light beam illuminate on the horizontally placed symmetric prismatic daylight collector. The ratio of the relative intensities of collected daylight that emerging from each surface of the daylight collector shown that the ratio is varied with the incident angle during a day. The simulation of the emerging light of the daylight collector shown that the ratio of emerging light is varied with the tilted angle when sunshine illuminated on a symmetric prismatic daylight collector which was not placed horizontally. The integration of normalized intensity is also varied with the tilted angle. The symmetric prismatic daylight collector with the benefits of reducing glare and dividing intensity of incident daylight, it is applicable to using in the natural light illumination system and hybrid system for improving the efficiency of utilizing of solar energy.

The Minimum Binding Energy and Size of Doubly Muonic D3 Molecule

NASA Astrophysics Data System (ADS)

Eskandari, M. R.; Faghihi, F.; Mahdavi, M.

The minimum energy and size of doubly muonic D3 molecule, which two of the electrons are replaced by the much heavier muons, are calculated by the well-known variational method. The calculations show that the system possesses two minimum positions, one at typically muonic distance and the second at the atomic distance. It is shown that at the muonic distance, the effective charge, zeff is 2.9. We assumed a symmetric planar vibrational model between two minima and an oscillation potential energy is approximated in this region.

Top coat or no top coat for immersion lithography?

NASA Astrophysics Data System (ADS)

Stepanenko, N.; Kim, Hyun-Woo; Kishimura, S.; Van Den Heuvel, D.; Vandenbroeck, N.; Kocsis, M.; Foubert, P.; Maenhoudt, M.; Ercken, M.; Van Roey, F.; Gronheid, R.; Pollentier, I.; Vangoidsenhoven, D.; Delvaux, C.; Baerts, C.; O'Brien, S.; Fyen, W.; Wells, G.

2006-03-01

Since the moment immersion lithography appeared in the roadmaps of IC manufacturers, the question whether to use top coats has become one of the important topics for discussions. The top coats used in immersion lithography have proved to serve as good protectors from leaching of the resist components (PAGs, bases) into the water. However their application complicates the process and may lead to two side effects. First, top coats can affect the process window and resist profile depending on the material's refractive index, thickness, acidity, chemical interaction with the resist and the soaking time. Second, the top coat application may increase the total amount of defects on the wafer. Having an immersion resist which could work without the top coat would be a preferable solution. Still, it is quite challenging to make such a resist as direct water/resist interaction may also result in process window changes, CD variations, generation of additional defects. We have performed a systematic evaluation of a large number of immersion resist and top coat combinations, using the ASML XT:1250Di scanner at IMEC. The samples for the experiments were provided by all the leading resist and top coat suppliers. Particular attention was paid to how the resist and top coat materials from different vendors interacted with each other. Among the factors which could influence the total amount of defects or CD variations on the wafer were: the material's dynamic contact angle and its interaction with the scanner stage speed, top coat thickness and intermixing layer formation, water uptake and leaching. We have examined the importance of all mentioned factors, using such analytical techniques as Resist Development Analyser (RDA), Quartz Crystal Microbalance (QCM), Mass Spectroscopy (MS) and scatterometry. We have also evaluated the influence of the pre- and pos- exposure rinse processes on the defectivity. In this paper we will present the data on imaging and defectivity performance of

Finite Element Analysis of Tube Hydroforming in Non-Symmetrical Dies

NASA Astrophysics Data System (ADS)

Nulkar, Abhishek V.; Gu, Randy; Murty, Pilaka

2011-08-01

Tube hydroforming has been studied intensively using commercial finite element programs. A great deal of the investigations dealt with models with symmetric cross-sections. It is known that additional constraints due to symmetry may be imposed on the model so that it is properly supported. For a non-symmetric model, these constraints become invalid and the model does not have sufficient support resulting in a singular finite element system. Majority of commercial codes have a limited capability in solving models with insufficient supports. Recently, new algorithms using penalty variable and air-like contact element (ALCE) have been developed to solve positive semi-definite finite element systems such as those in contact mechanics. In this study the ALCE algorithm is first validated by comparing its result against a commercial code using a symmetric model in which a circular tube is formed to polygonal dies with symmetric shapes. Then, the study investigates the accuracy and efficiency of using ALCE in analyzing hydroforming of tubes with various cross-sections in non-symmetrical dies in 2-D finite element settings.

Conformal Galilei algebras, symmetric polynomials and singular vectors

NASA Astrophysics Data System (ADS)

Křižka, Libor; Somberg, Petr

2018-01-01

We classify and explicitly describe homomorphisms of Verma modules for conformal Galilei algebras cga_ℓ (d,C) with d=1 for any integer value ℓ \\in N. The homomorphisms are uniquely determined by singular vectors as solutions of certain differential operators of flag type and identified with specific polynomials arising as coefficients in the expansion of a parametric family of symmetric polynomials into power sum symmetric polynomials.

Interaction of non-radially symmetric camphor particles

NASA Astrophysics Data System (ADS)

Ei, Shin-Ichiro; Kitahata, Hiroyuki; Koyano, Yuki; Nagayama, Masaharu

2018-03-01

In this study, the interaction between two non-radially symmetric camphor particles is theoretically investigated and the equation describing the motion is derived as an ordinary differential system for the locations and the rotations. In particular, slightly modified non-radially symmetric cases from radial symmetry are extensively investigated and explicit motions are obtained. For example, it is theoretically shown that elliptically deformed camphor particles interact so as to be parallel with major axes. Such predicted motions are also checked by real experiments and numerical simulations.

Asymmetric Top Rotors in Superfluid Para-Hydrogen Nano-Clusters

NASA Astrophysics Data System (ADS)

Zeng, Tao; Li, Hui; Roy, Pierre-Nicholas

2012-06-01

We present the first simulation study of bosonic clusters doped with an asymmetric top molecule. A variation of the path-integral Monte Carlo method is developed to study a para-water (pH_2O) impurity in para-hydrogen (pH_2) clusters. The growth pattern of the doped clusters is similar in nature to that of the pure clusters. The pH_2O molecule appears to rotate freely in the cluster due to its large rotational constants and the lack of adiabatic following. The presence of pH_2O substantially quenches the superfluid response of pH_2 with respect to the space fixed frame. We also study the behaviour of a sulphur dioxide (32S16O_2) dopant in the pH_2 clusters. For such a heavy rotor, the adiabatic following of the pH_2 molecules is established and the superfluid renormalization of the rotational constants is observed. The rotational structure of the SO_2-p(H_2)_N clusters' ro-vibrational spectra is predicted. The connection between the superfluid response respect to the external boundary rotation and the dopant rotation is discussed.

A GPU-based symmetric non-rigid image registration method in human lung.

PubMed

Haghighi, Babak; D Ellingwood, Nathan; Yin, Youbing; Hoffman, Eric A; Lin, Ching-Long

2018-03-01

Quantitative computed tomography (QCT) of the lungs plays an increasing role in identifying sub-phenotypes of pathologies previously lumped into broad categories such as chronic obstructive pulmonary disease and asthma. Methods for image matching and linking multiple lung volumes have proven useful in linking structure to function and in the identification of regional longitudinal changes. Here, we seek to improve the accuracy of image matching via the use of a symmetric multi-level non-rigid registration employing an inverse consistent (IC) transformation whereby images are registered both in the forward and reverse directions. To develop the symmetric method, two similarity measures, the sum of squared intensity difference (SSD) and the sum of squared tissue volume difference (SSTVD), were used. The method is based on a novel generic mathematical framework to include forward and backward transformations, simultaneously, eliminating the need to compute the inverse transformation. Two implementations were used to assess the proposed method: a two-dimensional (2-D) implementation using synthetic examples with SSD, and a multi-core CPU and graphics processing unit (GPU) implementation with SSTVD for three-dimensional (3-D) human lung datasets (six normal adults studied at total lung capacity (TLC) and functional residual capacity (FRC)). Success was evaluated in terms of the IC transformation consistency serving to link TLC to FRC. 2-D registration on synthetic images, using both symmetric and non-symmetric SSD methods, and comparison of displacement fields showed that the symmetric method gave a symmetrical grid shape and reduced IC errors, with the mean values of IC errors decreased by 37%. Results for both symmetric and non-symmetric transformations of human datasets showed that the symmetric method gave better results for IC errors in all cases, with mean values of IC errors for the symmetric method lower than the non-symmetric methods using both SSD and SSTVD

Results on top-quark physics and top-quark-like signatures by CMS

NASA Astrophysics Data System (ADS)

Chabert, Eric; CMS Collaboration

2017-07-01

This report reviews the results obtained by the CMS Collaboration on top quark physics, focusing on the latest ones based on p-p collisions provided by the LHC at \\sqrt{s}=13{{TeV}} during Run II. It covers measurements of single-top, top quark pairs and associated productions as well as measurements of top quark properties. Finally several beyond the standard model searches involving top quark in the final states are presented, such as searches for supersymmetry in the third generation, heavy resonances decaying into a top quark pair, or dark matter produced in association to a single-top or a top quark pair.

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.

Time-dependent spherically symmetric accretion onto compact X-ray sources

NASA Technical Reports Server (NTRS)

Cowie, L. L.; Ostriker, J. P.; Stark, A. A.

1978-01-01

Analytical arguments and a numerical hydrodynamic code are used to investigate spherically symmetric accretion onto a compact object, in an attempt to provide some insight into gas flows heated by an outgoing X-ray flux. It is shown that preheating of spherically symmetric accretion flows by energetic radiation from an X-ray source results in time-dependent behavior for a much wider range of source parameters than was determined previously and that there are two distinct types of instability. The results are compared with observations of X-ray bursters and transients as well as with theories on quasars and active galactic nuclei that involve quasi-spherically symmetric accretion onto massive black holes. Models based on spherically symmetric accretion are found to be inconsistent with observations of bursters and transients.

Evolution-Inspired Computational Design of Symmetric Proteins.

PubMed

Voet, Arnout R D; Simoncini, David; Tame, Jeremy R H; Zhang, Kam Y J

2017-01-01

Monomeric proteins with a number of identical repeats creating symmetrical structures are potentially very valuable building blocks with a variety of bionanotechnological applications. As such proteins do not occur naturally, the emerging field of computational protein design serves as an excellent tool to create them from nonsymmetrical templates. Existing pseudo-symmetrical proteins are believed to have evolved from oligomeric precursors by duplication and fusion of identical repeats. Here we describe a computational workflow to reverse-engineer this evolutionary process in order to create stable proteins consisting of identical sequence repeats.

Method of characteristics for three-dimensional axially symmetrical supersonic flows.

NASA Technical Reports Server (NTRS)

Sauer, R

1947-01-01

An approximation method for three-dimensional axially symmetrical supersonic flows is developed; it is based on the characteristics theory (represented partly graphically, partly analytically). Thereafter this method is applied to the construction of rotationally symmetrical nozzles. (author)

The generalised Sylvester matrix equations over the generalised bisymmetric and skew-symmetric matrices

NASA Astrophysics Data System (ADS)

Dehghan, Mehdi; Hajarian, Masoud

2012-08-01

A matrix P is called a symmetric orthogonal if P = P T = P -1. A matrix X is said to be a generalised bisymmetric with respect to P if X = X T = PXP. It is obvious that any symmetric matrix is also a generalised bisymmetric matrix with respect to I (identity matrix). By extending the idea of the Jacobi and the Gauss-Seidel iterations, this article proposes two new iterative methods, respectively, for computing the generalised bisymmetric (containing symmetric solution as a special case) and skew-symmetric solutions of the generalised Sylvester matrix equation ? (including Sylvester and Lyapunov matrix equations as special cases) which is encountered in many systems and control applications. When the generalised Sylvester matrix equation has a unique generalised bisymmetric (skew-symmetric) solution, the first (second) iterative method converges to the generalised bisymmetric (skew-symmetric) solution of this matrix equation for any initial generalised bisymmetric (skew-symmetric) matrix. Finally, some numerical results are given to illustrate the effect of the theoretical results.

Mechanical, physical, and physiological analysis of symmetrical and asymmetrical combat.

PubMed

Clemente-Suárez, Vicente J; Robles-Pérez, José J

2013-09-01

In current theaters of operation, soldiers had to face a different situation as symmetrical (defined battlefield) and asymmetrical combat (non-defined battlefield), especially in urban areas. The mechanical and organic responses of soldiers in these combats are poorly studied in specific literature. This research aimed to analyze physical, mechanical, and physiological parameters during symmetrical and asymmetrical combat simulations. We analyzed 20 soldiers from the Spanish Army and Spanish Forces and Security Corps (34.5 ± 4.2 years; 176.4 ± 8.4 cm; 74.6 ± 8.7 kg; 63.3 ± 8.0 kg muscular mass; 7.6 ± 3.2 kg fat mass) during a symmetric combat (traditional combat simulation) and during an asymmetrical combat (urban combat simulation). Heart rate (HR), speed, sprints, distances, impact, and body load parameters were measured by a GPS system and a HR belt. Results showed many differences between symmetrical and asymmetrical combat. Asymmetrical combat presented higher maximum velocity movement, number of sprints, sprint distance, and average HR. By contrary, symmetric combat presented higher number of impact and body load. This information could be used to improve specific training programs for each type of combat.

Symmetric factorization of the conformation tensor in viscoelastic fluid models

NASA Astrophysics Data System (ADS)

Thomases, Becca; Balci, Nusret; Renardy, Michael; Doering, Charles

2010-11-01

The positive definite symmetric polymer conformation tensor possesses a unique symmetric square root that satisfies a closed evolution equation in the Oldroyd-B and FENE-P models of viscoelastic fluid flow. When expressed in terms of the velocity field and the symmetric square root of the conformation tensor, these models' equations of motion formally constitute an evolution in a Hilbert space with a total energy functional that defines a norm. Moreover, this formulation is easily implemented in direct numerical simulations resulting in significant practical advantages in terms of both accuracy and stability.

Engineering giant magnetic anisotropy in single-molecule magnets by dimerizing heavy transition-metal atoms

NASA Astrophysics Data System (ADS)

Qu, Jiaxing; Hu, Jun

2018-05-01

The search for single-molecule magnets with large magnetic anisotropy energy (MAE) is essential for the development of molecular spintronics devices for use at room temperature. Through systematic first-principles calculations, we found that an Os–Os or Ir–Ir dimer embedded in the (5,5‧-Br2-salophen) molecule gives rise to a large MAE of 41.6 or 51.4 meV, respectively, which is large enough to hold the spin orientation at room temperature. Analysis of the electronic structures reveals that the top Os and Ir atoms play the most important part in the total spin moments and large MAEs of the molecules.

A modified gradient approach for the growth of low-density InAs quantum dot molecules by molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Sharma, Nandlal; Reuter, Dirk

2017-11-01

Two vertically stacked quantum dots that are electronically coupled, so called quantum dot molecules, are of great interest for the realization of solid state building blocks for quantum communication networks. We present a modified gradient approach to realize InAs quantum dot molecules with a low areal density so that single quantum dot molecules can be optically addressed. The individual quantum dot layers were prepared by solid source molecular beam epitaxy depositing InAs on GaAs(100). The bottom quantum dot layer has been grown without substrate rotation resulting in an In-gradient across the surface, which translated into a density gradient with low quantum dot density in a certain region of the wafer. For the top quantum dot layer, separated from the bottom quantum dot layer by a 6 nm thick GaAs barrier, various InAs amounts were deposited without an In-gradient. In spite of the absence of an In-gradient, a pronounced density gradient is observed for the top quantum dots. Even for an In-amount slightly below the critical thickness for a single dot layer, a density gradient in the top quantum dot layer, which seems to reproduce the density gradient in the bottom layer, is observed. For more or less In, respectively, deviations from this behavior occur. We suggest that the obvious influence of the bottom quantum dot layer on the growth of the top quantum dots is due to the strain field induced by the buried dots.

CDF Top Physics

DOE R&D Accomplishments Database

Tartarelli, G. F.; CDF Collaboration

1996-05-01

The authors present the latest results about top physics obtained by the CDF experiment at the Fermilab Tevatron collider. The data sample used for these analysis (about 110 pb{sup{minus}1}) represents almost the entire statistics collected by CDF during four years (1992--95) of data taking. This large data size has allowed detailed studies of top production and decay properties. The results discussed here include the determination of the top quark mass, the measurement of the production cross section, the study of the kinematics of the top events and a look at top decays.

Acetylcholinesterase inhibitory and antioxidant activities of novel symmetric sulfamides derived from phenethylamines.

PubMed

Aksu, Kadir; Topal, Fevzi; Gulcin, İlhami; Tümer, Ferhan; Göksu, Süleyman

2015-06-01

The antioxidant and acetylcholinesterase inhibitory properties of novel symmetric sulfamides derived from phenethylamines were evaluated. Phenethylamines 8-11 were reacted with SO2Cl2 in the presence of Et3N to afford sulfamides in good yields. The synthesized sulfamides were converted to their phenolic derivatives with BBr3. We elucidated the antioxidant activity of novel symmetric sulfamides by using different bioanalytical assays. For this purpose, the radical scavenging activities of the novel symmetric sulfamides were assessed by DPPH(•), ABTS(•+), DMPD(•+), and O2(•-) radical scavenging tests. In addition, the reducing abilities of the novel symmetric sulfamides were evaluated by Fe(3+)-Fe(2+) reducing, Cu(2+)-Cu(+) reducing, and [Fe(3+)-(TPTZ)2](3+)-[Fe(2+)-(TPTZ)2](2+) reducing activity tests. Also, the Fe(2+) chelating activity by the pipyrdyl reagent and the acetylcholinesterase inhibitory activities of the novel symmetric sulfamides were studied. Especially, the novel phenolic and symmetric sulfamides 16-19 showed high antioxidant and acetylcholinesterase inhibitory properties. On the other hand, IC50 values were calculated for the DPPH(•), ABTS(•+), DMPD(•+), and O2(•-) scavenging, the metal chelating, and the acetylcholinesterase inhibition effects of the novel symmetric sulfamides. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Inelastic transport and low-bias rectification in a single-molecule diode.

PubMed

Hihath, Joshua; Bruot, Christopher; Nakamura, Hisao; Asai, Yoshihiro; Díez-Pérez, Ismael; Lee, Youngu; Yu, Luping; Tao, Nongjian

2011-10-25

Designing, controlling, and understanding rectification behavior in molecular-scale devices has been a goal of the molecular electronics community for many years. Here we study the transport behavior of a single molecule diode, and its nonrectifying, symmetric counterpart at low temperatures, and at both low and high biases to help elucidate the electron-phonon interactions and transport mechanisms in the rectifying system. We find that the onset of current rectification occurs at low biases, indicating a significant change in the elastic transport pathway. However, the peaks in the inelastic electron tunneling (IET) spectrum are antisymmetric about zero bias and show no significant changes in energy or intensity in the forward or reverse bias directions, indicating that despite the change in the elastic transmission probability there is little impact on the inelastic pathway. These results agree with first principles calculations performed to evaluate the IETS, which also allow us to identify which modes are active in the single molecule junction.

Symmetrical or Non-Symmetrical Debonds at Fiber-Matrix Interfaces: A Study by BEM and Finite Fracture Mechanics on Elastic Interfaces

NASA Astrophysics Data System (ADS)

Muñoz-Reja, Mar; Távara, Luis; Mantič, Vladislav

A recently proposed criterion is used to study the behavior of debonds produced at a fiber-matrix interface. The criterion is based on the Linear Elastic-(Perfectly) Brittle Interface Model (LEBIM) combined with a Finite Fracture Mechanics (FFM) approach, where the stress and energy criteria are suitably coupled. Special attention is given to the discussion about the symmetry of the debond onset and growth in an isolated single fiber specimen under uniaxial transverse tension. A common composite material system, glass fiber-epoxy matrix, is considered. The present methodology uses a two-dimensional (2D) Boundary Element Method (BEM) code to carry out the analysis of interface failure. The present results show that a non-symmetrical interface crack configuration (debonds at one side only) is produced by a lower critical remote load than the symmetrical case (debonds at both sides). Thus, the non-symmetrical solution is the preferred one, which agrees with the experimental evidences found in the literature.

Star-Shaped Conjugated Molecules with Oxa- or Thiadiazole Bithiophene Side Arms.

PubMed

Kotwica, Kamil; Kostyuchenko, Anastasia S; Data, Przemyslaw; Marszalek, Tomasz; Skorka, Lukasz; Jaroch, Tomasz; Kacka, Sylwia; Zagorska, Malgorzata; Nowakowski, Robert; Monkman, Andrew P; Fisyuk, Alexander S; Pisula, Wojciech; Pron, Adam

2016-08-08

Star-shaped conjugated molecules, consisting of a benzene central unit symmetrically trisubstituted with either oxa- or thiadiazole bithiophene groups, were synthesized as promising molecules and building blocks for application in (opto)electronics and electrochromic devices. Their optical (Eg (opt)) as well as electrochemical (Eg (electro)) band gaps depended on the type of the side arm and the number of solubilizing alkyl substituents. Oxadiazole derivatives showed Eg (opt) slightly below 3 eV and by 0.2 eV larger than those determined for thiadiazole-based compounds. The presence of alkyl substituents in the arms additionally lowered the band gap. The obtained compounds were efficient electroluminophores in guest/host-type light-emitting diodes. They also showed a strong tendency to self-organize in monolayers deposited on graphite, as evidenced by scanning tunneling microscopy. The structural studies by X-ray scattering revealed the formation of supramolecular columnar stacks in which the molecules were organized. Differences in macroscopic alignment in the specimen indicated variations in the self-assembly mechanism between the molecules. The compounds as trifunctional monomers were electrochemically polymerized to yield the corresponding polymer network. As shown by UV/Vis-NIR spectroelectrochemical studies, these networks exhibited reversible electrochromic behavior both in the oxidation and in the reduction modes. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Formation of hydroxyl-functionalized stilbenoid molecular sieves at the liquid/solid interface on top of a 1-decanol monolayer.

PubMed

Bellec, Amandine; Arrigoni, Claire; Douillard, Ludovic; Fiorini-Debuisschert, Céline; Mathevet, Fabrice; Kreher, David; Attias, André-Jean; Charra, Fabrice

2014-10-31

Specific molecular tectons can be designed to form molecular sieves through self-assembly at the solid-liquid interface. After demonstrating a model tecton bearing apolar alkyl chains, we then focus on a modified structure involving asymmetric functionalization of some alkyl chains with polar hydroxyl groups in order to get chemical selectivity in the sieving. As the formation of supramolecular self-assembled networks strongly depends on molecule-molecule, molecule-substrate and molecule-solvent interactions, we compared the tectons' self-assembly on graphite for two types of solvent. We demonstrate the possibility to create hydroxylated stilbenoid molecular sieves by using 1-decanol as a solvent. Interestingly, with this solvent, the porous network is developed on top of a 1-decanol monolayer.

A Symmetric Two-Locus Fertility Model

PubMed Central

Feldman, Marcus W.; Liberman, Uri

1985-01-01

A model in which selection is mediated by differential fertilities among the genotypes at two diallelic loci is proposed. Fertility depends only on the number of heterozygous loci participating in the mating. Classes analogous to symmetric equilibria in symmetric viability models are determined explicitly and shown to exhibit stability behavior very different from the viability results. Linkage equilibrium is shown to occur in a relatively asymmetric fashion and to overlap in stability with linkage disequilibrium. In many cases single-locus or two-locus polymorphism is shown to be stable simultaneously with chromosome fixation even under very tight linkage. It is suggested that historical effects may be of great significance in the evolution of systems in which fertility is the primary agent of natural selection. PMID:3967817

Symmetric quadratic Hamiltonians with pseudo-Hermitian matrix representation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fernández, Francisco M., E-mail: fernande@quimica.unlp.edu.ar

2016-06-15

We prove that any symmetric Hamiltonian that is a quadratic function of the coordinates and momenta has a pseudo-Hermitian adjoint or regular matrix representation. The eigenvalues of the latter matrix are the natural frequencies of the Hamiltonian operator. When all the eigenvalues of the matrix are real, then the spectrum of the symmetric Hamiltonian is real and the operator is Hermitian. As illustrative examples we choose the quadratic Hamiltonians that model a pair of coupled resonators with balanced gain and loss, the electromagnetic self-force on an oscillating charged particle and an active LRC circuit. -- Highlights: •Symmetric quadratic operators aremore » useful models for many physical applications. •Any such operator exhibits a pseudo-Hermitian matrix representation. •Its eigenvalues are the natural frequencies of the Hamiltonian operator. •The eigenvalues may be real or complex and describe a phase transition.« less

Optomechanically-induced transparency in parity-time-symmetric microresonators

PubMed Central

Jing, H.; Özdemir, Şahin K.; Geng, Z.; Zhang, Jing; Lü, Xin-You; Peng, Bo; Yang, Lan; Nori, Franco

2015-01-01

Optomechanically-induced transparency (OMIT) and the associated slowing of light provide the basis for storing photons in nanoscale devices. Here we study OMIT in parity-time (PT)-symmetric microresonators with a tunable gain-to-loss ratio. This system features a sideband-reversed, non-amplifying transparency , i.e., an inverted-OMIT. When the gain-to-loss ratio is varied, the system exhibits a transition from a PT-symmetric phase to a broken-PT-symmetric phase. This PT-phase transition results in the reversal of the pump and gain dependence of the transmission rates. Moreover, we show that by tuning the pump power at a fixed gain-to-loss ratio, or the gain-to-loss ratio at a fixed pump power, one can switch from slow to fast light and vice versa. These findings provide new tools for controlling light propagation using nanofabricated phononic devices. PMID:26169253

Su-Schrieffer-Heeger chain with one pair of [Formula: see text]-symmetric defects.

PubMed

Jin, L; Wang, P; Song, Z

2017-07-19

The topologically nontrivial edge states induce [Formula: see text] transition in Su-Schrieffer-Heeger (SSH) chain with one pair of gain and loss at boundaries. In this study, we investigated a pair of [Formula: see text]-symmetric defects located inside the SSH chain, in particular, the defects locations are at the chain centre. The [Formula: see text] symmetry breaking of the bound states leads to the [Formula: see text] transition, the [Formula: see text]-symmetric phases and the localized states were studied. In the broken [Formula: see text]-symmetric phase, all energy levels break simultaneously in topologically trivial phase; however, two edge states in topologically nontrivial phase are free from the influence of the [Formula: see text]-symmetric defects. We discovered [Formula: see text]-symmetric bound states induced by the [Formula: see text]-symmetric local defects at the SSH chain centre. The [Formula: see text]-symmetric bound states significantly increase the [Formula: see text] transition threshold and coalesce to the topologically protected zero mode with vanishing probabilities on every other site of the left-half chain and the right-half chain, respectively.

Top Quark Properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Peters, Yvonne

2011-12-01

Since its discovery in 1995 by the CDF and D0 collaborations at the Fermilab Tevatron collider, the top quark has undergone intensive studies. Besides the Tevatron experiments, with the start of the LHC in 2010 a top quark factory started its operation. It is now possible to measure top quark properties simultaneously at four different experiments, namely ATLAS and CMS at LHC and CDF and D0 at Tevatron. Having collected thousands of top quarks each, several top quark properties have been measured precisely, while others are being measured for the first time. In this article, recent measurements of top quarkmore » properties from ATLAS, CDF, CMS and D0 are presented, using up to 5.4 fb{sup -1} of integrated luminosity at the Tevatron and 1.1 fb{sup -1} at the LHC. In particular, measurements of the top quark mass, mass difference, foward backward charge asymmetry, t{bar t} spin correlations, the ratio of branching fractions, W helicity, anomalous couplings, color flow and the search for flavor changing neutral currents are discussed.« less

Imaging prototypical aromatic molecules on insulating surfaces: a review

NASA Astrophysics Data System (ADS)

Hoffmann-Vogel, R.

2018-01-01

Insulating substrates allow for in-plane contacted molecular electronics devices where the molecule is in contact with the insulator. For the development of such devices it is important to understand the interaction of molecules with insulating surfaces. As substrates, ionic crystals such as KBr, KCl, NaCl and CaF2 are discussed. The surface energies of these substrates are small and as a consequence intrinsic properties of the molecules, such as molecule–molecule interaction, become more important relative to interactions with the substrates. As prototypical molecules, three variants of graphene-related molecules are used, pentacene, C60 and PTCDA. Pentacene is a good candidate for molecular electronics applications due to its high charge carrier mobility. It shows mainly an upright standing growth mode and the morphology of the islands is strongly influenced by dewetting. A new second flat-lying phase of the molecule has been observed. Studying the local work function using the Kelvin method reveals details such as line defects in the center of islands. The local work function differences between the upright-standing and flat-lying phase can only be explained by charge transfer that is unusual on ionic crystalline surfaces. C60 nucleation and growth is explained by loosely bound molecules at kink sites as nucleation sites. The stability of C60 islands as a function of magic numbers is investigated. Peculiar island shapes are obtained from unusual dewetting processes already at work during growth, where molecules ‘climb’ to the second molecular layer. PTCDA is a prototypical semiconducting molecule with strong quadrupole moment. It grows in the form of elongated islands where the top and the facets can be molecularly resolved. In this way the precise molecular arrangement in the islands is revealed.

Separator-Integrated, Reversely Connectable Symmetric Lithium-Ion Battery.

PubMed

Wang, Yuhang; Zeng, Jiren; Cui, Xiaoqi; Zhang, Lijuan; Zheng, Gengfeng

2016-02-24

A separator-integrated, reversely connectable, symmetric lithium-ion battery is developed based on carbon-coated Li3V2(PO4)3 nanoparticles and polyvinylidene fluoride-treated separators. The Li3V2(PO4)3 nanoparticles are synthesized via a facile solution route followed by calcination in Ar/H2 atmosphere. Sucrose solution is used as the carbon source for uniform carbon coating on the Li3V2(PO4)3 nanoparticles. Both the carbon and the polyvinylidene fluoride treatments substantially improve the cycling life of the symmetric battery by preventing the dissolution and shuttle of the electroactive Li3V2(PO4)3. The obtained symmetric full cell exhibits a reversible capacity of ≈ 87 mA h g(-1), good cycling stability, and capacity retention of ≈ 70% after 70 cycles. In addition, this type of symmetric full cell can be operated in both forward and reverse connection modes, without any influence on the cycling of the battery. Furthermore, a new separator integration approach is demonstrated, which enables the direct deposition of electroactive materials for the battery assembly and does not affect the electrochemical performance. A 10-tandem-cell battery assembled without differentiating the electrode polarity exhibits a low thickness of ≈ 4.8 mm and a high output voltage of 20.8 V. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Complex organic molecules in strongly UV-irradiated gas

NASA Astrophysics Data System (ADS)

Cuadrado, S.; Goicoechea, J. R.; Cernicharo, J.; Fuente, A.; Pety, J.; Tercero, B.

2017-07-01

We investigate the presence of complex organic molecules (COMs) in strongly UV-irradiated interstellar molecular gas. We have carried out a complete millimetre (mm) line survey using the IRAM 30 m telescope towards the edge of the Orion Bar photodissociation region (PDR), close to the H2 dissociation front, a position irradiated by a very intense far-UV (FUV) radiation field. These observations have been complemented with 8.5'' resolution maps of the H2CO JKa,Kc = 51,5 → 41,4 and C18O J = 3 → 2 emission at 0.9 mm. Despite being a harsh environment, we detect more than 250 lines from COMs and related precursors: H2CO, CH3OH, HCO, H2CCO, CH3CHO, H2CS, HCOOH, CH3CN, CH2NH, HNCO, H213CO, and HC3N (in decreasing order of abundance). For each species, the large number of detected lines allowed us to accurately constrain their rotational temperatures (Trot) and column densities (N). Owing to subthermal excitation and intricate spectroscopy of some COMs (symmetric- and asymmetric-top molecules such as CH3CN and H2CO, respectively), a correct determination of N and Trot requires building rotational population diagrams of their rotational ladders separately. The inferred column densities are in the 1011-1013 cm-2 range. We also provide accurate upper limit abundances for chemically related molecules that might have been expected, but are not conclusively detected at the edge of the PDR (HDCO, CH3O, CH3NC, CH3CCH, CH3OCH3, HCOOCH3, CH3CH2OH, CH3CH2CN, and CH2CHCN). A non-thermodynamic equilibrium excitation analysis for molecules with known collisional rate coefficients suggests that some COMs arise from different PDR layers but we cannot resolve them spatially. In particular, H2CO and CH3CN survive in the extended gas directly exposed to the strong FUV flux (Tk = 150-250 K and Td≳ 60 K), whereas CH3OH only arises from denser and cooler gas clumps in the more shielded PDR interior (Tk = 40-50 K). The non-detection of HDCO towards the PDR edge is consistent with the

De novo protein sequencing by combining top-down and bottom-up tandem mass spectra.

PubMed

Liu, Xiaowen; Dekker, Lennard J M; Wu, Si; Vanduijn, Martijn M; Luider, Theo M; Tolić, Nikola; Kou, Qiang; Dvorkin, Mikhail; Alexandrova, Sonya; Vyatkina, Kira; Paša-Tolić, Ljiljana; Pevzner, Pavel A

2014-07-03

There are two approaches for de novo protein sequencing: Edman degradation and mass spectrometry (MS). Existing MS-based methods characterize a novel protein by assembling tandem mass spectra of overlapping peptides generated from multiple proteolytic digestions of the protein. Because each tandem mass spectrum covers only a short peptide of the target protein, the key to high coverage protein sequencing is to find spectral pairs from overlapping peptides in order to assemble tandem mass spectra to long ones. However, overlapping regions of peptides may be too short to be confidently identified. High-resolution mass spectrometers have become accessible to many laboratories. These mass spectrometers are capable of analyzing molecules of large mass values, boosting the development of top-down MS. Top-down tandem mass spectra cover whole proteins. However, top-down tandem mass spectra, even combined, rarely provide full ion fragmentation coverage of a protein. We propose an algorithm, TBNovo, for de novo protein sequencing by combining top-down and bottom-up MS. In TBNovo, a top-down tandem mass spectrum is utilized as a scaffold, and bottom-up tandem mass spectra are aligned to the scaffold to increase sequence coverage. Experiments on data sets of two proteins showed that TBNovo achieved high sequence coverage and high sequence accuracy.

[A retrieval method of drug molecules based on graph collapsing].

PubMed

Qu, J W; Lv, X Q; Liu, Z M; Liao, Y; Sun, P H; Wang, B; Tang, Z

2018-04-18

To establish a compact and efficient hypergraph representation and a graph-similarity-based retrieval method of molecules to achieve effective and efficient medicine information retrieval. Chemical structural formula (CSF) was a primary search target as a unique and precise identifier for each compound at the molecular level in the research field of medicine information retrieval. To retrieve medicine information effectively and efficiently, a complete workflow of the graph-based CSF retrieval system was introduced. This system accepted the photos taken from smartphones and the sketches drawn on tablet personal computers as CSF inputs, and formalized the CSFs with the corresponding graphs. Then this paper proposed a compact and efficient hypergraph representation for molecules on the basis of analyzing factors that directly affected the efficiency of graph matching. According to the characteristics of CSFs, a hierarchical collapsing method combining graph isomorphism and frequent subgraph mining was adopted. There was yet a fundamental challenge, subgraph overlapping during the collapsing procedure, which hindered the method from establishing the correct compact hypergraph of an original CSF graph. Therefore, a graph-isomorphism-based algorithm was proposed to select dominant acyclic subgraphs on the basis of overlapping analysis. Finally, the spatial similarity among graphical CSFs was evaluated by multi-dimensional measures of similarity. To evaluate the performance of the proposed method, the proposed system was firstly compared with Wikipedia Chemical Structure Explorer (WCSE), the state-of-the-art system that allowed CSF similarity searching within Wikipedia molecules dataset, on retrieval accuracy. The system achieved higher values on mean average precision, discounted cumulative gain, rank-biased precision, and expected reciprocal rank than WCSE from the top-2 to the top-10 retrieved results. Specifically, the system achieved 10%, 1.41, 6.42%, and 1

All symmetric space solutions of eleven-dimensional supergravity

NASA Astrophysics Data System (ADS)

Wulff, Linus

2017-06-01

We find all symmetric space solutions of eleven-dimensional supergravity completing an earlier classification by Figueroa-O’Farrill. They come in two types: AdS solutions and pp-wave solutions. We analyze the supersymmetry conditions and show that out of the 99 AdS geometries the only supersymmetric ones are the well known backgrounds arising as near-horizon limits of (intersecting) branes and preserving 32, 16 or 8 supersymmetries. The general form of the superisometry algebra for symmetric space backgrounds is also derived.

Laboratory Formation of Fullerenes from PAHs: Top-down Interstellar Chemistry

NASA Astrophysics Data System (ADS)

Zhen, Junfeng; Castellanos, Pablo; Paardekooper, Daniel M.; Linnartz, Harold; Tielens, Alexander G. G. M.

2014-12-01

Interstellar molecules are thought to build up in the shielded environment of molecular clouds or in the envelope of evolved stars. This follows many sequential reaction steps of atoms and simple molecules in the gas phase and/or on (icy) grain surfaces. However, these chemical routes are highly inefficient for larger species in the tenuous environment of space as many steps are involved and, indeed, models fail to explain the observed high abundances. This is definitely the case for the C60 fullerene, recently identified as one of the most complex molecules in the interstellar medium. Observations have shown that, in some photodissociation regions, its abundance increases close to strong UV-sources. In this Letter we report laboratory findings in which C60 formation can be explained by characterizing the photochemical evolution of large polycyclic aromatic hydrocarbons (PAHs). Sequential H losses lead to fully dehydrogenated PAHs and subsequent losses of C2 units convert graphene into cages. Our results present for the first time experimental evidence that PAHs in excess of 60 C-atoms efficiently photo-isomerize to buckminsterfullerene, C60. These laboratory studies also attest to the importance of top-down synthesis routes for chemical complexity in space.

Computational design of a self-assembling symmetrical β-propeller protein.

PubMed

Voet, Arnout R D; Noguchi, Hiroki; Addy, Christine; Simoncini, David; Terada, Daiki; Unzai, Satoru; Park, Sam-Yong; Zhang, Kam Y J; Tame, Jeremy R H

2014-10-21

The modular structure of many protein families, such as β-propeller proteins, strongly implies that duplication played an important role in their evolution, leading to highly symmetrical intermediate forms. Previous attempts to create perfectly symmetrical propeller proteins have failed, however. We have therefore developed a new and rapid computational approach to design such proteins. As a test case, we have created a sixfold symmetrical β-propeller protein and experimentally validated the structure using X-ray crystallography. Each blade consists of 42 residues. Proteins carrying 2-10 identical blades were also expressed and purified. Two or three tandem blades assemble to recreate the highly stable sixfold symmetrical architecture, consistent with the duplication and fusion theory. The other proteins produce different monodisperse complexes, up to 42 blades (180 kDa) in size, which self-assemble according to simple symmetry rules. Our procedure is suitable for creating nano-building blocks from different protein templates of desired symmetry.

Chiral optical response of planar and symmetric nanotrimers enabled by heteromaterial selection.

PubMed

Banzer, Peter; Woźniak, Paweł; Mick, Uwe; De Leon, Israel; Boyd, Robert W

2016-10-13

Chirality is an intriguing property of certain molecules, materials or artificial nanostructures, which allows them to interact with the spin angular momentum of the impinging light field. Due to their chiral geometry, they can distinguish between left- and right-hand circular polarization states or convert them into each other. Here we introduce an approach towards optical chirality, which is observed in individual two-dimensional and geometrically mirror-symmetric nanostructures. In this scheme, the chiral optical response is induced by the chosen heterogeneous material composition of a particle assembly and the corresponding resonance behaviour of the constituents it is built from, which breaks the symmetry of the system. As a proof of principle, we investigate such a structure composed of individual silicon and gold nanoparticles both experimentally, as well as numerically. Our proposed concept constitutes an approach for designing two-dimensional chiral media tailored at the nanoscale, allowing for high tunability of their optical response.

Chiral optical response of planar and symmetric nanotrimers enabled by heteromaterial selection

PubMed Central

Banzer, Peter; Woźniak, Paweł; Mick, Uwe; De Leon, Israel; Boyd, Robert W.

2016-01-01

Chirality is an intriguing property of certain molecules, materials or artificial nanostructures, which allows them to interact with the spin angular momentum of the impinging light field. Due to their chiral geometry, they can distinguish between left- and right-hand circular polarization states or convert them into each other. Here we introduce an approach towards optical chirality, which is observed in individual two-dimensional and geometrically mirror-symmetric nanostructures. In this scheme, the chiral optical response is induced by the chosen heterogeneous material composition of a particle assembly and the corresponding resonance behaviour of the constituents it is built from, which breaks the symmetry of the system. As a proof of principle, we investigate such a structure composed of individual silicon and gold nanoparticles both experimentally, as well as numerically. Our proposed concept constitutes an approach for designing two-dimensional chiral media tailored at the nanoscale, allowing for high tunability of their optical response. PMID:27734960

Duality, phase structures, and dilemmas in symmetric quantum games

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ichikawa, Tsubasa; Tsutsui, Izumi

Symmetric quantum games for 2-player, 2-qubit strategies are analyzed in detail by using a scheme in which all pure states in the 2-qubit Hilbert space are utilized for strategies. We consider two different types of symmetric games exemplified by the familiar games, the Battle of the Sexes (BoS) and the Prisoners' Dilemma (PD). These two types of symmetric games are shown to be related by a duality map, which ensures that they share common phase structures with respect to the equilibria of the strategies. We find eight distinct phase structures possible for the symmetric games, which are determined by themore » classical payoff matrices from which the quantum games are defined. We also discuss the possibility of resolving the dilemmas in the classical BoS, PD, and the Stag Hunt (SH) game based on the phase structures obtained in the quantum games. It is observed that quantization cannot resolve the dilemma fully for the BoS, while it generically can for the PD and SH if appropriate correlations for the strategies of the players are provided.« less

Symmetric peace education and Unesco's potential for promoting it

NASA Astrophysics Data System (ADS)

Pikas, Anatol

1983-09-01

Peace education activities, widely contrasting and often mutually inconsistent, may be understood as constituting a dialectic in which each step is based on fundamental human reaction patterns mobilized as incentives. Although neither thesis, `Sounding the Alarm', nor anthithesis, `Identifying Causes', is adequate on its own for building peace, each is a necessary stage in development towards the synthesis, `Symmetric Peace Education'. According to this concept, peace can only be achieved through co-operation between the parties threatening or threatened by each other; and the task of symmetric peace education is to bring both sides and involved neutrals together to work out a basis of common values and joint activities while protecting the identity and integrity of all participants. On the micro-level, in schools, appropriate exercises can be designed to enable pupils to learn, from their own experiences of conflict, symmetrical and constructive habits in communication. Extension to the macro-, international, level may be achieved by representative groups of educators working together without destructive confrontation to produce common peace education packages: these would be used symmetrically by mutual agreement in countries currently rearming against each other. A different approach is proposed for bringing together groups of other professional people in `prepared, constructive confrontations' in order to reduce distrust and increase mutual understanding. The express purpose for the foundation of Unesco was to build peace; and by virtue of this mandate and the nature of its constitution, the organization is uniquely placed to promote symmetric peace education in the ways described.

Transient behavior of granular materials with symmetric conditions for tumbler shapes and fill fractions

NASA Astrophysics Data System (ADS)

Pohlman, Nicholas; Si, Yun

2014-11-01

The typical granular motion in circular tumblers is considered steady-state since there are no features to disrupt the top surface layer dimension. In polygon tumblers, however, the flowing layer is perpetually changing length, which creates unsteady conditions with corresponding change in the flow behavior. Prior work showed the minimization of free surface energy is independent of tumbler dimension, particle size, and rotation rate. This subsequent research reports on experiments where dimensional symmetry of the free surface in triangular and square tumblers with varying fill fractions do not necessarily produce the symmetric flow behaviors. Results of the quasi-2D tumbler experiment show that other dimensions aligned with gravity and the instantaneous free surface influence the phase when extrema for angle of repose and other flow features occur. The conclusion is that 50% fill fraction may produce geometric symmetry of dimensions, but the symmetry point of flow likely occurs at a lower fill fraction.

Symmetrization in jellyfish: reorganization to regain function, and not lost parts.

PubMed

Abrams, Michael J; Goentoro, Lea

2016-02-01

We recently reported a previously unidentified strategy of self-repair in the moon jellyfish Aurelia aurita. Rather than regenerating lost parts, juvenile Aurelia reorganize remaining parts to regain essential body symmetry. This process that we called symmetrization is rapid and frequent, and is not driven by cell proliferation or cell death. Instead, the swimming machinery generates mechanical forces that drive symmetrization. We found evidence for symmetrization across three other species of jellyfish (Chrysaora pacifica, Mastigias sp., and Cotylorhiza tuberculata). We propose reorganization to regain function without recovery of initial morphology as a potentially broad class of self-repair strategy beyond radially symmetrical animals, and discuss the implications of this finding on the evolution of self-repair strategies in animals. Copyright © 2015 The Authors. Published by Elsevier GmbH.. All rights reserved.

Accessing the exceptional points of parity-time symmetric acoustics

PubMed Central

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

2016-01-01

Parity-time (PT) symmetric systems experience phase transition between PT exact and broken phases at exceptional point. These PT phase transitions contribute significantly to the design of single mode lasers, coherent perfect absorbers, isolators, and diodes. However, such exceptional points are extremely difficult to access in practice because of the dispersive behaviour of most loss and gain materials required in PT symmetric systems. Here we introduce a method to systematically tame these exceptional points and control PT phases. Our experimental demonstration hinges on an active acoustic element that realizes a complex-valued potential and simultaneously controls the multiple interference in the structure. The manipulation of exceptional points offers new routes to broaden applications for PT symmetric physics in acoustics, optics, microwaves and electronics, which are essential for sensing, communication and imaging. PMID:27025443

Infrared spectra and density functional calculations for SMO2 molecules (M = Cr, Mo, W).

PubMed

Wang, Xuefeng; Andrews, Lester

2009-08-06

Infrared absorptions of the matrix isolated SMO2 (M = Cr, Mo, W) molecules were observed following laser-ablated metal atom reactions with SO2 during condensation in solid argon and neon. The symmetric and antisymmetric M-O stretching mode assignments were confirmed by appropriate S18O2 and S(16,18)O2 isotopic shifts. The much weaker Cr-S stretching mode was identified through its 34S shift. Density functional (B3LYP and BPW91) calculations were performed to obtain molecular structures and to reproduce the infrared spectra. Computed pyramidal structures for the SMO2 molecules are very similar to those for the analogous trioxides and this functional group in [MO2S(bdt)]2- complexes. Additional weaker absorptions are assigned to the (SO2)(SMO2) adducts, which are stabilized by a four-membered ring.

Nonadiabatic laser-induced alignment of molecules: Reconstructing ⟨ θ⟩ directly from ⟨ θ2D⟩ by Fourier analysis.

PubMed

Søndergaard, Anders Aspegren; Shepperson, Benjamin; Stapelfeldt, Henrik

2017-07-07

We present an efficient, noise-robust method based on Fourier analysis for reconstructing the three-dimensional measure of the alignment degree, ⟨cos 2 θ⟩, directly from its two-dimensional counterpart, ⟨cos 2 θ 2D ⟩. The method applies to nonadiabatic alignment of linear molecules induced by a linearly polarized, nonresonant laser pulse. Our theoretical analysis shows that the Fourier transform of the time-dependent ⟨cos 2 θ 2D ⟩ trace over one molecular rotational period contains additional frequency components compared to the Fourier transform of ⟨cos 2 θ⟩. These additional frequency components can be identified and removed from the Fourier spectrum of ⟨cos 2 θ 2D ⟩. By rescaling of the remaining frequency components, the Fourier spectrum of ⟨cos 2 θ⟩ is obtained and, finally, ⟨cos 2 θ⟩ is reconstructed through inverse Fourier transformation. The method allows the reconstruction of the ⟨cos 2 θ⟩ trace from a measured ⟨cos 2 θ 2D ⟩ trace, which is the typical observable of many experiments, and thereby provides direct comparison to calculated ⟨cos 2 θ⟩ traces, which is the commonly used alignment metric in theoretical descriptions. We illustrate our method by applying it to the measurement of nonadiabatic alignment of I 2 molecules. In addition, we present an efficient algorithm for calculating the matrix elements of cos 2 θ 2D and any other observable in the symmetric top basis. These matrix elements are required in the rescaling step, and they allow for highly efficient numerical calculation of ⟨cos 2 θ 2D ⟩ and ⟨cos 2 θ⟩ in general.

Large-area ordered Ge-Si compound quantum dot molecules on dot-patterned Si (001) substrates

NASA Astrophysics Data System (ADS)

Lei, Hui; Zhou, Tong; Wang, Shuguang; Fan, Yongliang; Zhong, Zhenyang

2014-08-01

We report on the formation of large-area ordered Ge-Si compound quantum dot molecules (CQDMs) in a combination of nanosphere lithography and self-assembly. Truncated-pyramid-like Si dots with {11n} facets are readily formed, which are spatially ordered in a large area with controlled period and size. Each Si dot induces four self-assembled Ge-rich dots at its base edges that can be fourfold symmetric along <110> directions. A model based on surface chemical potential accounts well for these phenomena. Our results disclose the critical effect of surface curvature on the diffusion and the aggregation of Ge adatoms and shed new light on the unique features and the inherent mechanism of self-assembled QDs on patterned substrates. Such a configuration of one Si QD surrounded by fourfold symmetric Ge-rich QDs can be seen as a CQDM with unique features, which will have potential applications in novel devices.

Uncovering the single top: observation of electroweak top quark production

DOE Office of Scientific and Technical Information (OSTI.GOV)

Benitez, Jorge Armando

2009-01-01

The top quark is generally produced in quark and anti-quark pairs. However, the Standard Model also predicts the production of only one top quark which is mediated by the electroweak interaction, known as 'Single Top'. Single Top quark production is important because it provides a unique and direct way to measure the CKM matrix element V tb, and can be used to explore physics possibilities beyond the Standard Model predictions. This dissertation presents the results of the observation of Single Top using 2.3 fb -1 of Data collected with the D0 detector at the Fermilab Tevatron collider. The analysis includes the Single Top muon+jets and electron+jets final states and employs Boosted Decision Tress as a method to separate the signal from the background. The resulting Single Top cross section measurement is: (1) σ(pmore » $$\\bar{p}$$→ tb + X, tqb + X) = 3.74 -0.74 +0.95 pb, where the errors include both statistical and systematic uncertainties. The probability to measure a cross section at this value or higher in the absence of signal is p = 1.9 x 10 -6. This corresponds to a standard deviation Gaussian equivalence of 4.6. When combining this result with two other analysis methods, the resulting cross section measurement is: (2) σ(p$$\\bar{p}$$ → tb + X, tqb + X) = 3.94 ± 0.88 pb, and the corresponding measurement significance is 5.0 standard deviations.« less

Energy transport in the three coupled α-polypeptide chains of collagen molecule with long-range interactions effect

NASA Astrophysics Data System (ADS)

Mvogo, Alain; Ben-Bolie, G. H.; Kofané, T. C.

2015-06-01

The dynamics of three coupled α-polypeptide chains of a collagen molecule is investigated with the influence of power-law long-range exciton-exciton interactions. The continuum limit of the discrete equations reveal that the collagen dynamics is governed by a set of three coupled nonlinear Schrödinger equations, whose dispersive coefficient depends on the LRI parameter r. We construct the analytic symmetric and asymmetric (antisymmetric) soliton solutions, which match with the structural features of collagen related with the acupuncture channels. These solutions are used as initial conditions for the numerical simulations of the discrete equations, which reveal a coherent transport of energy in the molecule for r > 3. The results also indicate that the width of the solitons is a decreasing function of r, which help to stabilize the solitons propagating in the molecule. To confirm further the efficiency of energy transport in the molecule, the modulational instability of the system is performed and the numerical simulations show that the energy can flow from one polypeptide chain to another in the form of nonlinear waves.

Modeling the antisymmetric and symmetric stretching vibrational modes of aqueous carboxylate anions

NASA Astrophysics Data System (ADS)

Sutton, Catherine C. R.; Franks, George V.; da Silva, Gabriel

2015-01-01

The infrared spectra of six aqueous carboxylate anions have been calculated at the M05-2X/cc-pVTZ level of theory with the SMD solvent model, and validated against experimental data from the literature over the region of 1700 cm-1 to 1250 cm-1; this region corresponds to the stretching modes of the carboxylate group, and is often interrogated when probing bonding of carboxylates to other species and surfaces. The anions studied here were formate, acetate, oxalate, succinate, glutarate and citrate. For the lowest energy conformer of each anion, the carboxylate moiety antisymmetric stretching peak was predicted with a mean signed error of only 4 cm-1 using the SMD solvent model, while the symmetric peak was slightly overestimated. Performing calculations in vacuum and scaling was found to generally over-predict the antisymmetric vibrational frequencies and under predict the symmetric peak. Different conformers of the same anion were found to have only slightly different spectra in the studied region and the inclusion of explicit water molecules was not found to significantly change the calculated spectra when the implicit solvent model is used. Overall, the use of density functional theory in conjunction with an implicit solvent model was found to result in infra-red spectra that are the best reproduction of the features found experimentally for the aqueous carboxylate ions in the important 1700 cm-1 to 1250 cm-1 region. The development of validated model chemistries for simulating the stretching modes of aqueous carboxylate ions will be valuable for future studies that investigate how carboxylate anions complex with multivalent metal cations and related species in solution.

Nonspherically Symmetric Collapse in Asymptotically AdS Spacetimes.

PubMed

Bantilan, Hans; Figueras, Pau; Kunesch, Markus; Romatschke, Paul

2017-11-10

We numerically simulate gravitational collapse in asymptotically anti-de Sitter spacetimes away from spherical symmetry. Starting from initial data sourced by a massless real scalar field, we solve the Einstein equations with a negative cosmological constant in five spacetime dimensions and obtain a family of nonspherically symmetric solutions, including those that form two distinct black holes on the axis. We find that these configurations collapse faster than spherically symmetric ones of the same mass and radial compactness. Similarly, they require less mass to collapse within a fixed time.

Nonspherically Symmetric Collapse in Asymptotically AdS Spacetimes

NASA Astrophysics Data System (ADS)

Bantilan, Hans; Figueras, Pau; Kunesch, Markus; Romatschke, Paul

2017-11-01

We numerically simulate gravitational collapse in asymptotically anti-de Sitter spacetimes away from spherical symmetry. Starting from initial data sourced by a massless real scalar field, we solve the Einstein equations with a negative cosmological constant in five spacetime dimensions and obtain a family of nonspherically symmetric solutions, including those that form two distinct black holes on the axis. We find that these configurations collapse faster than spherically symmetric ones of the same mass and radial compactness. Similarly, they require less mass to collapse within a fixed time.

Exploring plane-symmetric solutions in f(R) gravity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shamir, M. F., E-mail: farasat.shamir@nu.edu.pk

2016-02-15

The modified theories of gravity, especially the f(R) gravity, have attracted much attention in the last decade. This paper is devoted to exploring plane-symmetric solutions in the context of metric f(R) gravity. We extend the work on static plane-symmetric vacuum solutions in f(R) gravity already available in the literature [1, 2]. The modified field equations are solved using the assumptions of both constant and nonconstant scalar curvature. Some well-known solutions are recovered with power-law and logarithmic forms of f(R) models.

Negative refraction and planar focusing based on parity-time symmetric metasurfaces.

PubMed

Fleury, Romain; Sounas, Dimitrios L; Alù, Andrea

2014-07-11

We introduce a new mechanism to realize negative refraction and planar focusing using a pair of parity-time symmetric metasurfaces. In contrast to existing solutions that achieve these effects with negative-index metamaterials or phase conjugating surfaces, the proposed parity-time symmetric lens enables loss-free, all-angle negative refraction and planar focusing in free space, without relying on bulk metamaterials or nonlinear effects. This concept may represent a pivotal step towards loss-free negative refraction and highly efficient planar focusing by exploiting the largely uncharted scattering properties of parity-time symmetric systems.

Single molecule dynamics at a mechanically controllable break junction in solution at room temperature.

PubMed

Konishi, Tatsuya; Kiguchi, Manabu; Takase, Mai; Nagasawa, Fumika; Nabika, Hideki; Ikeda, Katsuyoshi; Uosaki, Kohei; Ueno, Kosei; Misawa, Hiroaki; Murakoshi, Kei

2013-01-23

The in situ observation of geometrical and electronic structural dynamics of a single molecule junction is critically important in order to further progress in molecular electronics. Observations of single molecular junctions are difficult, however, because of sensitivity limits. Here, we report surface-enhanced Raman scattering (SERS) of a single 4,4'-bipyridine molecule under conditions of in situ current flow in a nanogap, by using nano-fabricated, mechanically controllable break junction (MCBJ) electrodes. When adsorbed at room temperature on metal nanoelectrodes in solution to form a single molecule junction, statistical analysis showed that nontotally symmetric b(1) and b(2) modes of 4,4'-bipyridine were strongly enhanced relative to observations of the same modes in solid or aqueous solutions. Significant changes in SERS intensity, energy (wavenumber), and selectivity of Raman vibrational bands that are coincident with current fluctuations provide information on distinct states of electronic and geometrical structure of the single molecule junction, even under large thermal fluctuations occurring at room temperature. We observed the dynamics of 4,4'-bipyridine motion between vertical and tilting configurations in the Au nanogap via b(1) and b(2) mode switching. A slight increase in the tilting angle of the molecule was also observed by noting the increase in the energies of Raman modes and the decrease in conductance of the molecular junction.

A molecular symmetry analysis of the electronic states and transition dipole moments for molecules with two torsional degrees of freedom

DOE Office of Scientific and Technical Information (OSTI.GOV)

Obaid, R.; Applied Chemistry Department, Palestine Polytechnic University, Hebron, Palestine; Leibscher, M., E-mail: monika.leibscher@itp.uni-hannover.de

2015-02-14

We present a molecular symmetry analysis of electronic states and transition dipole moments for molecules which undergo large amplitude intramolecular torsions. The method is based on the correlation between the point group of the molecule at highly symmetric configurations and the molecular symmetry group. As an example, we determine the global irreducible representations of the electronic states and transition dipole moments for the quinodimethane derivative 2-[4-(cyclopenta-2,4-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]-2H-1, 3-dioxole for which two torsional degrees of freedom can be activated upon photo-excitation and construct the resulting symmetry adapted transition dipole functions.

Diagnostic and Therapeutic Advances: Distal Symmetric Polyneuropathy

PubMed Central

Callaghan, Brian C.; Price, Raymond S.; Feldman, Eva L.

2016-01-01

Importance Peripheral neuropathy is a highly prevalent and morbid condition affecting 2–7% of the population. Patients frequently suffer from pain and are at risk of falls, ulcerations, and amputations. We aimed to review recent diagnostic and therapeutic advances in peripheral neuropathy in distal symmetric polyneuropathy, the most common subtype of peripheral neuropathy. Observations and Advances Current evidence supports limited routine laboratory testing in patients with distal symmetric polyneuropathy. Patients without a known cause should have a complete blood count, comprehensive metabolic panel, B12, serum protein electrophoresis with immunofixation, fasting glucose, and a glucose tolerance test. The presence of atypical features such as asymmetry, non-length-dependence, motor predominance, acute or subacute onset, and/or prominent autonomic involvement should prompt a consultation with a neurologist or neuromuscular specialist. Electrodiagnostic tests and magnetic resonance imaging of the neuroaxis are the main drivers of the cost of the diagnostic evaluation, but evidence supporting their use is lacking. Strong evidence supports the use of tricyclic antidepressants, serotonin and norepinephrine reuptake inhibitors, and voltage-gated calcium channel ligands in the treatment of neuropathic pain. More intensive glucose control substantially reduces the incidence of distal symmetric polyneuropathy in patients with type 1 diabetes, but does not in type 2 diabetes. Conclusions and Relevance The opportunity exists to improve guideline concordant testing in distal symmetric polyneuropathy patients. Moreover, the role of electrodiagnostic tests needs to be further defined, and interventions to reduce magnetic resonance imaging use in this population are needed. Even though several efficacious medications exist for neuropathic pain treatment, pain is still under-recognized and undertreated. New disease modifying medications are needed to prevent and treat

Symmetric vs. Asymmetric Stem Cell Divisions: An Adaptation against Cancer?

PubMed Central

Shahriyari, Leili; Komarova, Natalia L.

2013-01-01

Traditionally, it has been held that a central characteristic of stem cells is their ability to divide asymmetrically. Recent advances in inducible genetic labeling provided ample evidence that symmetric stem cell divisions play an important role in adult mammalian homeostasis. It is well understood that the two types of cell divisions differ in terms of the stem cells' flexibility to expand when needed. On the contrary, the implications of symmetric and asymmetric divisions for mutation accumulation are still poorly understood. In this paper we study a stochastic model of a renewing tissue, and address the optimization problem of tissue architecture in the context of mutant production. Specifically, we study the process of tumor suppressor gene inactivation which usually takes place as a consequence of two “hits”, and which is one of the most common patterns in carcinogenesis. We compare and contrast symmetric and asymmetric (and mixed) stem cell divisions, and focus on the rate at which double-hit mutants are generated. It turns out that symmetrically-dividing cells generate such mutants at a rate which is significantly lower than that of asymmetrically-dividing cells. This result holds whether single-hit (intermediate) mutants are disadvantageous, neutral, or advantageous. It is also independent on whether the carcinogenic double-hit mutants are produced only among the stem cells or also among more specialized cells. We argue that symmetric stem cell divisions in mammals could be an adaptation which helps delay the onset of cancers. We further investigate the question of the optimal fraction of stem cells in the tissue, and quantify the contribution of non-stem cells in mutant production. Our work provides a hypothesis to explain the observation that in mammalian cells, symmetric patterns of stem cell division seem to be very common. PMID:24204602

Functionalization of Probe Tips and Supports for Single-Molecule Recognition Force Microscopy

NASA Astrophysics Data System (ADS)

Ebner, Andreas; Wildling, Linda; Zhu, Rong; Rankl, Christian; Haselgrübler, Thomas; Hinterdorfer, Peter; Gruber, Hermann J.

The measuring tip of a force microscope can be converted into a monomolecular sensor if one or few "ligand" molecules are attached to the apex of the tip while maintaining ligand function. Functionalized tips are used to study fine details of receptor-ligand interaction by force spectroscopy or to map cognate "receptor" molecules on the sample surface. The receptor (or target) molecules can be present on the surface of a biological specimen; alternatively, soluble target molecules must be immobilized on ultraflat supports. This review describes the methods of tip functionalization, as well as target molecule immobilization. Silicon nitride tips, silicon chips, and mica have usually been functionalized in three steps: (1) aminofunctionalization, (2) crosslinker attachment, and (3) ligand/receptor coupling, whereby numerous crosslinkers are available to couple widely different ligand molecules. Gold-covered tips and/or supports have usually been coated with a self-assembled monolayer, on top of which the ligand/receptor molecule has been coupled either directly or via a crosslinker molecule. Apart from these general strategies, many simplified methods have been used for tip and/or support functionalization, even single-step methods such as adsorption or chemisorption being very efficient under suitable circumstances. All methods are described with the same explicitness and critical parameters are discussed. In conclusion, this review should help to find suitable methods for specific problems of tip and support functionalization.

Seeing the electroporative uptake of cell-membrane impermeable fluorescent molecules and nanoparticles

NASA Astrophysics Data System (ADS)

Kim, Kisoo; Kim, Jeong Ah; Lee, Soon-Geul; Lee, Won Gu

2012-07-01

This paper presents direct visualization of uptake directionality for cell-membrane impermeant fluorescent molecules and fluorescence-doped nanoparticles at a single-cell level during electroporation. To observe directly the uptake direction, we used microchannel-type electroporation that can generate a relatively symmetric and uniform electric field. For all the image frames during electroporation, fluorescence intensities that occurred at cell membranes in both uptake directions toward the electrodes have been sequentially recorded and quantitatively analyzed pixel by pixel. In our experiments, we found that fluorescent molecules, even not labeled to target biomolecules, had their own uptake direction with different intensities. It is also observed that the uptake intensity toward the cell membrane had a maximal value at a certain electric voltage, not at the highest value of voltages applied. The results also imply that the uptake direction of fluorescence-doped nanoparticles can be determined by a net surface charge of uptake materials and sizes in the electroporative environments. In summary, we performed a quantitative screening and direct visualization of uptake directionality for a set of fluorescent molecules and fluorescence-doped nanoparticles using electric-pulsation. Taking a closer look at the uptake direction of exogenous materials will help researchers to understand an unknown uptake phenomenon in which way foreign materials are inclined to move, and furthermore to design functional nanoparticles for electroporative gene delivery.This paper presents direct visualization of uptake directionality for cell-membrane impermeant fluorescent molecules and fluorescence-doped nanoparticles at a single-cell level during electroporation. To observe directly the uptake direction, we used microchannel-type electroporation that can generate a relatively symmetric and uniform electric field. For all the image frames during electroporation, fluorescence intensities

General description of circularly symmetric Bessel beams of arbitrary order

NASA Astrophysics Data System (ADS)

Wang, Jia Jie; Wriedt, Thomas; Lock, James A.; Mädler, Lutz

2016-11-01

A general description of circularly symmetric Bessel beams of arbitrary order is derived in this paper. This is achieved by analyzing the relationship between different descriptions of polarized Bessel beams obtained using different approaches. It is shown that a class of circularly symmetric Davis Bessel beams derived using the Hertz vector potentials possesses the same general functional dependence as the aplanatic Bessel beams generated using the angular spectrum representation (ASR). This result bridges the gap between different descriptions of Bessel beams and leads to a general description of circularly symmetric Bessel beams, such that the Davis Bessel beams and the aplanatic Bessel beams are merely the two simplest cases of an infinite number of possible circularly symmetric Bessel beams. Additionally, magnitude profiles of the electric and magnetic fields, the energy density and the Poynting vector are displayed for Bessel beams in both paraxial and nonparaxial cases. The results presented in this paper provide a fresh perspective on the description of Bessel beams and cast some insights into the light scattering and light-matter interactions problems in practice.

Entanglement of three-qubit Greenberger-Horne-Zeilinger-symmetric states.

PubMed

Eltschka, Christopher; Siewert, Jens

2012-01-13

The first characterization of mixed-state entanglement was achieved for two-qubit states in Werner's seminal work [Phys. Rev. A 40, 4277 (1989)]. A physically important extension concerns mixtures of a pure entangled state [such as the Greenberger-Horne-Zeilinger (GHZ) state] and the unpolarized state. These mixed states serve as benchmark for the robustness of multipartite entanglement. They share the symmetries of the GHZ state. We call such states GHZ symmetric. Here we give a complete description of the entanglement in the family of three-qubit GHZ-symmetric states and, in particular, of the three-qubit generalized Werner states. Our method relies on the appropriate parametrization of the states and on the invariance of entanglement properties under general local operations. An application is the definition of a symmetrization witness for the entanglement class of arbitrary three-qubit states.

Delayed-enhanced cardiac MRI for differentiation of Fabry's disease from symmetric hypertrophic cardiomyopathy.

PubMed

De Cobelli, Francesco; Esposito, Antonio; Belloni, Elena; Pieroni, Maurizio; Perseghin, Gianluca; Chimenti, Cristina; Frustaci, Andrea; Del Maschio, Alessandro

2009-03-01

Fabry's disease may be difficult to differentiate from symmetric hypertrophic cardiomyopathy. Our aim was to compare the myocardial location and distribution patterns of delayed enhancement between patients with Fabry's disease who are affected by symmetric myocardial hypertrophy and patients with symmetric hypertrophic cardiomyopathy in order to identify a specific sign to best differentiate the two diseases. Patients with Fabry's disease-related hypertrophy showed left ventricular (LV) delayed enhancement with a typical and consistently found pattern characterized by the involvement of the inferolateral basal or mid basal segments and a mesocardial distribution that spared the subendocardium. This pattern seems to be specific to Fabry's disease; in fact, patients with symmetric hypertrophic cardiomyopathy had variable locations and distributions of delayed enhancement. These observations may contribute to identifying Fabry's disease as a specific cause of symmetric hypertrophy.

Quasi-symmetric designs and equiangular tight frames

NASA Astrophysics Data System (ADS)

Fickus, Matthew; Jasper, John; Mixon, Dustin; Peterson, Jesse

2015-08-01

An equiangular tight frame (ETF) is an M×N matrix which has orthogonal equal norm rows, equal norm columns, and the inner products of all pairs of columns have the same modulus. ETFs arise in numerous applications, including compressed sensing. They also seem to be rare: despite over a decade of active research by the community, only a few construction methods have been discovered. In this article we introduce a new construction of ETFs which uses a particular set of combinatorial designs called quasi-symmetric designs. For ETFs whose entries are contained in {+1;-1}, called real constant amplitude ETFs (RCAETFs), we see that this construction is reversible, giving new quasi-symmetric designs from the known constructions RCAETFs.

Symmetric convolution of asymmetric multidimensional sequences using discrete trigonometric transforms.

PubMed

Foltz, T M; Welsh, B M

1999-01-01

This paper uses the fact that the discrete Fourier transform diagonalizes a circulant matrix to provide an alternate derivation of the symmetric convolution-multiplication property for discrete trigonometric transforms. Derived in this manner, the symmetric convolution-multiplication property extends easily to multiple dimensions using the notion of block circulant matrices and generalizes to multidimensional asymmetric sequences. The symmetric convolution of multidimensional asymmetric sequences can then be accomplished by taking the product of the trigonometric transforms of the sequences and then applying an inverse trigonometric transform to the result. An example is given of how this theory can be used for applying a two-dimensional (2-D) finite impulse response (FIR) filter with nonlinear phase which models atmospheric turbulence.

Stochastic thermodynamics for Ising chain and symmetric exclusion process.

PubMed

Toral, R; Van den Broeck, C; Escaff, D; Lindenberg, Katja

2017-03-01

We verify the finite-time fluctuation theorem for a linear Ising chain in contact with heat reservoirs at its ends. Analytic results are derived for a chain consisting of two spins. The system can be mapped onto a model for particle transport, namely, the symmetric exclusion process in contact with thermal and particle reservoirs. We modify the symmetric exclusion process to represent a thermal engine and reproduce universal features of the efficiency at maximum power.

Quasi-Axially Symmetric Stellarators with 3 Field Periods

NASA Astrophysics Data System (ADS)

Garabedian, Paul; Ku, Long-Poe

1998-11-01

Compact hybrid configurations with 2 field periods have been studied recently as candidates for a proof of principle experiment at PPPL, cf. A. Reiman et al., Physics design of a high beta quasi-axially symmetric stellarator, J. Plas. Fus. Res. SERIES 1, 429(1998). This enterprise has led us to the discovery of a family of quasi-axially symmetric stellarators with 3 field periods that seem to have significant advantages, although their aspect ratios are a little larger. They have reversed shear and perform better in a local analysis of ballooning modes. Nonlinear equilibrium and stability calculations predict that the average beta limit may be as high as 6% if the bootstrap current turns out to be as big as that expected in comparable tokamaks. The concept relies on a combination of helical fields and bootstrap current to achieve adequate rotational transform at low aspect ratio. A detailed manuscript describing some of this work will be published soon, cf. P.R. Garabedian, Quasi-axially symmetric stellarators, Proc. Natl. Acad. Sci. USA 95 (1998).

Analytical stability criteria for the Caledonian Symmetric Four and Five Body Problems

NASA Astrophysics Data System (ADS)

Steves, Bonnie; Shoaib Afridi, Mohammad; Sweatman, Winston

2017-06-01

Analytical studies of the stability of three or more body gravitational systems are difficult because of the greater number of variables involved with the increasing number of bodies and the limitation of 10 integrals that exist in the gravitational n-body problem. Utilisation of symmetries or the neglecting of the masses of some of the bodies compared to others can simplify the dynamical problem and enable global analytical stability solutions to be derived. These symmetric and restricted few body systems with their analytical stability criterion can then provide useful information on the stability of the general few body system when near symmetry or the restricted situation. Even with symmetrical reductions, analytical stability derivations for four and five body problems are rare. In this paper, we develop an analytical stability criterion for the Caledonian Symmetric Five Body Problem (CS5BP) , a dynamically symmetrical planar problem with two pairs of equal masses and a fifth mass located at the centre of mass. Sundman’s inequality is applied to derive boundary surfaces to the allowed real motion of the system. This enables the derivation of a stability criterion valid for all time for the hierarchical stability of the CS5BP and its subset the Caledonian Symmetric Four Body Problem (CSFBP), where the central mass is taken to be equal to zero. We show that the hierarchical stability depends solely on the Szebehely constant C0, which is a function of the total energy H and angular momentum c. The critical value Ccrit at which the system becomes hierarchically stable for all time depends only on the two mass ratios of the symmetric five body system. We then explore the effect on the stability of the whole system of adding an increasing massive central body. It is shown both analytically and numerically that all CS5BPs and CSFBPs of different mass ratios are hierarchically stable if C0 > 0.0659 and C0 > 0.0465, respectively. The Caledonian Symmetric Four and

Dynamic propagation of symmetric Airy pulses with initial chirps in an optical fiber

NASA Astrophysics Data System (ADS)

Shi, Xiaohui; Huang, Xianwei; Deng, Yangbao; Tan, Chao; Bai, Yanfeng; Fu, Xiquan

2017-09-01

We analytically and numerically investigate the propagation dynamics of initially chirped symmetric Airy pulses in an optical fiber. The results show that the positive chirps act to promote the interference in generating a focal point on the propagation axis, while the negative chirps tend to suppress the focusing effect, as compared to conventional unchirped symmetric Airy pulses. The numerical results demonstrate that the linear propagation of chirped symmetric Airy pulses depend considerably on the chirp parameter and the primary lobe position. In the anomalous dispersion region, positively chirped symmetric Airy pulses first undergo an initial compression, and reach a foci due to the opposite acceleration, and then experience a lossy inversion transformation, and come to the opposite facing focal position. The impact of truncation coefficient and Kerr nonlinearity on the chirped symmetric Airy pulses propagation is also disclosed separately.

Arbitrary Dicke-State Control of Symmetric Rydberg Ensembles

NASA Astrophysics Data System (ADS)

Deutsch, Ivan

2017-04-01

We study the production of arbitrary superpositions of Dicke states via optimal control. We show that N atomic hyperfine qubits, interacting symmetrically via the Rydberg blockade, are well described by the Jaynes-Cummings Model (JCM), familiar in cavity QED. In this isomorphism, the presence or absence of a collective Rydberg excitation plays the role of the two-level system and the number of symmetric excitations of the hyperfine qubits plays the role of the bosonic excitations of the JCM. This system is fully controllable through the addition of phase-modulated microwaves that drive transitions between the Rydberg-dressed states. In the weak dressing regime, this results in a single-axis twisting Hamiltonian, plus time-dependent rotations of the collective spin. For strong dressing we control the entire Jaynes-Cummings ladder. Using optimal control, we design microwave waveforms that can generate arbitrary states in the symmetric subspace. This includes cat states, Dicke states, and spin squeezed states. With currently feasible parameters, it is possible to generate arbitrary symmetric states of _10 hyperfine qubits in 1 microsec, assuming a fast microwave phase switching time. The same control can be achieved with a ``dressed-ground control'' scheme, which reduces the demands for fast phase switching at the expense of increased total control time. More generally, we can achieve control on larger ensembles of qubits by designing waveforms that are bandwidth limited within the coherence time of the system. We use this to study general questions of the ``quantum speed limit'' and information content in a waveform that is needed to generate arbitrary quantum states.

Top tagging: a method for identifying boosted hadronically decaying top quarks.

PubMed

Kaplan, David E; Rehermann, Keith; Schwartz, Matthew D; Tweedie, Brock

2008-10-03

A method is introduced for distinguishing top jets (boosted, hadronically decaying top quarks) from light-quark and gluon jets using jet substructure. The procedure involves parsing the jet cluster to resolve its subjets and then imposing kinematic constraints. With this method, light-quark or gluon jets with p{T} approximately 1 TeV can be rejected with an efficiency of around 99% while retaining up to 40% of top jets. This reduces the dijet background to heavy tt[over ] resonances by a factor of approximately 10 000, thereby allowing resonance searches in tt[over ] to be extended into the all-hadronic channel. In addition, top tagging can be used in tt[over ] events when one of the top quarks decays semileptonically, in events with missing energy, and in studies of b-tagging efficiency at high p{T}.

Asymmetric intermolecular Pauson-Khand reaction of symmetrically substituted alkynes.

PubMed

Ji, Yining; Riera, Antoni; Verdaguer, Xavier

2009-10-01

The asymmetric intermolecular Pauson-Khand reaction of symmetric alkynes has been accomplished for the first time. N-Phosphino-p-tolylsulfinamide (PNSO) ligands have been identified as efficient ligands in this process. The chirality of the cobalt S-bonded sulfinyl moiety was found to direct olefin insertion into one of the two possible cobalt-carbon bonds in the alkyne complex. Reaction of symmetric alkynes allows for a simplified experimental protocol since there is no need for separation of diastereomeric complexes.

SYMTRAN - A Time-dependent Symmetric Tandem Mirror Transport Code

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hua, D; Fowler, T

2004-06-15

A time-dependent version of the steady-state radial transport model in symmetric tandem mirrors in Ref. [1] has been coded up and first tests performed. Our code, named SYMTRAN, is an adaptation of the earlier SPHERE code for spheromaks, now modified for tandem mirror physics. Motivated by Post's new concept of kinetic stabilization of symmetric mirrors, it is an extension of the earlier TAMRAC rate-equation code omitting radial transport [2], which successfully accounted for experimental results in TMX. The SYMTRAN code differs from the earlier tandem mirror radial transport code TMT in that our code is focused on axisymmetric tandem mirrorsmore » and classical diffusion, whereas TMT emphasized non-ambipolar transport in TMX and MFTF-B due to yin-yang plugs and non-symmetric transitions between the plugs and axisymmetric center cell. Both codes exhibit interesting but different non-linear behavior.« less

The discrete dynamics of symmetric competition in the plane.

PubMed

Jiang, H; Rogers, T D

1987-01-01

We consider the generalized Lotka-Volterra two-species system xn + 1 = xn exp(r1(1 - xn) - s1yn) yn + 1 = yn exp(r2(1 - yn) - s2xn) originally proposed by R. M. May as a model for competitive interaction. In the symmetric case that r1 = r2 and s1 = s2, a region of ultimate confinement is found and the dynamics therein are described in some detail. The bifurcations of periodic points of low period are studied, and a cascade of period-doubling bifurcations is indicated. Within the confinement region, a parameter region is determined for the stable Hopf bifurcation of a pair of symmetrically placed period-two points, which imposes a second component of oscillation near the stable cycles. It is suggested that the symmetric competitive model contains much of the dynamical complexity to be expected in any discrete two-dimensional competitive model.

Comparison of the effects of symmetric and asymmetric temperature elevation and CO2 enrichment on yield and evapotranspiration of winter wheat (Triticum aestivum L.).

PubMed

Qiao, Yunzhou; Liu, Huiling; Kellomäki, Seppo; Peltola, Heli; Liu, Yueyan; Dong, Baodi; Shi, Changhai; Zhang, Huizhen; Zhang, Chao; Gong, Jinnan; Si, Fuyan; Li, Dongxiao; Zheng, Xin; Liu, Mengyu

2014-05-01

Under the changing climate, asymmetric warming pattern would be more likely during day and night time, instead of symmetric one. Concurrently, the growth responses and water use of plants may be different compared with those estimated based on symmetric warming. In this work, it was compared with the effects of symmetric (ETs) and asymmetric (ETa) elevation of temperature alone, and in interaction with elevated carbon dioxide concentration (EC), on the grain yield (GY) and evapotranspiration in winter wheat (Triticum aestivum L.) based on pot experiment in the North China Plain (NCP). The experiment was carried out in six enclosed-top chambers with following climate treatments: (1) ambient temperature and ambient CO2 (CON), (2) ambient temperature and elevated CO2 (EC), (3) elevated temperature and ambient CO2 (ETs; ETa), and (4) elevated temperature and elevated CO2 (ECETs, ECETa). In symmetric warming, temperature was increased by 3°C and in asymmetric one by 3.5°C during night and 2.5°C during daytime, respectively. As a result, GY was in ETa and ETs 15.6 (P < 0.05) and 10.3% (P < 0.05) lower than that in CON. In ECETs and ECETa treatments, GY was 14.9 (P < 0.05) and 9.1% (P < 0.05) higher than that in CON. Opposite to GY, evapotranspiration was 7.8 (P < 0.05) and 17.9% (P < 0.05) higher in ETa and ETs treatments and 7.2 (P < 0.05) and 2.1% (P > 0.05) lower in ECETs and ECETa treatments compared with CON. Thus, GY of wheat could be expected to increase under the changing climate with concurrent elevation of CO2 and temperature as a result of increased WUE under the elevated CO2. However, the gain would be lower under ETa than that estimated based on ETs due to higher evapotranspiration.

Symmetric and asymmetric wormholes immersed in rotating matter

NASA Astrophysics Data System (ADS)

Hoffmann, Christian; Ioannidou, Theodora; Kahlen, Sarah; Kleihaus, Burkhard; Kunz, Jutta

2018-06-01

We consider four-dimensional wormholes immersed in bosonic matter. While their existence is based on the presence of a phantom field, many of their interesting physical properties are bestowed upon them by an ordinary complex scalar field, which carries only a mass term, but no self-interactions. For instance, the rotation of the scalar field induces a rotation of the throat as well. Moreover, the bosonic matter need not be symmetrically distributed in both asymptotically flat regions, leading to symmetric and asymmetric rotating wormhole spacetimes. The presence of the rotating matter also allows for wormholes with a double throat.

Measurement of top quark polarisation in t-channel single top quark production

DOE PAGES

Khachatryan, Vardan

2016-04-13

Our first measurement of the top quark spin asymmetry, sensitive to the top quark polarisation, in t-channel single top quark production is presented. It is based on a sample of pp collisions at a centre-of-mass energy of 8 TeV corresponding to an integrated luminosity of 19.7 fb -1. A high-purity sample of t-channel single top quark events with an isolated muon is selected. Signal and background components are estimated using a fit to data. Furthermore, a differential cross section measurement, corrected for detector effects, of an angular observable sensitive to the top quark polarisation is performed. The differential distribution ismore » used to extract a top quark spin asymmetry of 0.26 ± 0.03 (stat) ± 0.10 (syst), which is compatible with a p-value of 4.6% with the standard model prediction of 0.44.« less

Tbx5 Buffers Inherent Left/Right Asymmetry Ensuring Symmetric Forelimb Formation

PubMed Central

Nishimoto, Satoko; Kucharska, Anna; Newbury-Ecob, Ruth; Logan, Malcolm P. O.

2016-01-01

The forelimbs and hindlimbs of vertebrates are bilaterally symmetric. The mechanisms that ensure symmetric limb formation are unknown but they can be disrupted in disease. In Holt-Oram Syndrome (HOS), caused by mutations in TBX5, affected individuals have left-biased upper/forelimb defects. We demonstrate a role for the transcription factor Tbx5 in ensuring the symmetric formation of the left and right forelimb. In our mouse model, bilateral hypomorphic levels of Tbx5 produces asymmetric forelimb defects that are consistently more severe in the left limb than the right, phenocopying the left-biased limb defects seen in HOS patients. In Tbx hypomorphic mutants maintained on an INV mutant background, with situs inversus, the laterality of defects is reversed. Our data demonstrate an early, inherent asymmetry in the left and right limb-forming regions and that threshold levels of Tbx5 are required to overcome this asymmetry to ensure symmetric forelimb formation. PMID:27992425

Analogies of the classical Euler top with a rotor to spin squeezing and quantum phase transitions in a generalized Lipkin-Meshkov-Glick model.

PubMed

Opatrný, Tomáš; Richterek, Lukáš; Opatrný, Martin

2018-01-31

We show that the classical model of Euler top (freely rotating, generally asymmetric rigid body), possibly supplemented with a rotor, corresponds to a generalized Lipkin-Meshkov-Glick (LMG) model describing phenomena of various branches of quantum physics. Classical effects such as free precession of a symmetric top, Feynman's wobbling plate, tennis-racket instability and the Dzhanibekov effect, attitude control of satellites by momentum wheels, or twisting somersault dynamics, have their counterparts in quantum effects that include spin squeezing by one-axis twisting and two-axis countertwisting, transitions between the Josephson and Rabi regimes of a Bose-Einstein condensate in a double-well potential, and other quantum critical phenomena. The parallels enable us to expand the range of explored quantum phase transitions in the generalized LMG model, as well as to present a classical analogy of the recently proposed LMG Floquet time crystal.

Scanning Tunneling Microscopic Characterization of an Engineered Organic Molecule

DTIC Science & Technology

2011-08-01

attachment and wide-band MCT detector , was used. Figure 3 shows the spectra obtained for SAM of PMNBT (top), which was compared to raw crystal PMNBT...averaged in order to reduce random noise , especially in the high bias region. Figure 4d shows the average second-order STM I-V curves of each molecule...done to avoid the low signal-to- noise ratio regime of the STM (18). Our estimated value of go for dDT is about two orders of magnitude smaller than

Rotationally symmetric viscous gas flows

NASA Astrophysics Data System (ADS)

Weigant, W.; Plotnikov, P. I.

2017-03-01

The Dirichlet boundary value problem for the Navier-Stokes equations of a barotropic viscous compressible fluid is considered. The flow region and the data of the problem are assumed to be invariant under rotations about a fixed axis. The existence of rotationally symmetric weak solutions for all adiabatic exponents from the interval (γ*,∞) with a critical exponent γ* < 4/3 is proved.

PREFACE: 5th International Workshop on Top Quark Physics (TOP2012)

NASA Astrophysics Data System (ADS)

Salamanna, G.; Boisvert, V.; Cerrito, L.; Khan, A.; Moretti, S.; Owen, M.; Schwanenberger, C.

2013-07-01

The 5th International Workshop on Top Quark Physics (TOP 2012) took place in Winchester, UK, from the 16-21 September. It gathered students as well as people active in the top quark sector and provided a framework to highlight the newest results and matters related to top quark physics. Discovered in 1995, the top quark is the sixth and heaviest of all quarks, and it is the only one with a lifetime short enough to be observed 'naked'. This makes it an important testing ground in the search for new physics. In fact, the fact of its mass being so much larger than the other quarks, hints at its special role in the Higgs mechanism. For the same reason, in many models of New Physics, new heavy resonances are expected to couple mostly with top quarks. Even if no new particles are observed, the direct correlation between its angular momentum and that of its detectable decay products allows us to probe indirectly New Physics in action when top quarks are created. In this edition of the TOP conference series, for the first time, the agenda was equally balanced between 'traditional' measurements and the now vast number of searches for physics BSM in the top quark sector, thanks mostly to the amount of data collected at the LHC in its Run I. New results were presented by both the Tevatron and the LHC collaborations: improved ttbar and single top cross-section measurements, refined techniques to measure the top quark mass and a large number of results on properties such as spin correlation and W boson polarization in top quark decays were shown. More technical discussions on the experimental issues, both from the detector and the simulation side also took place, drawing together experimentalists and theorists. Reviews of the latest results on ttbar asymmetry both from CDF and D0 and from ATLAS and CMS were shown, and theorists active in the field made some interesting points on this hot topic. Additionally, results on the search for fourth generation fermions and new

Molecular arrangement of symmetric and non-symmetric triblock copolymers of poly(ethylene oxide) and poly(isobutylene) at the air/water interface.

PubMed

Fuchs, Christian; Hussain, Hazrat; Schwieger, Christian; Schulz, Matthias; Binder, Wolfgang H; Kressler, Jörg

2015-01-01

The behavior of a series of amphiphilic triblock copolymers of poly(ethylene oxide) (PEO) and poly(isobutylene) (PIB); including both symmetric (same degree of polymerization (DP) of the terminal PEO blocks) PEOm-b-PIBn-b-PEOm and non-symmetric (different DP of the terminal PEO blocks) PEOm-b-PIBn-b-PEOz, is investigated at the air/water interface by measuring surface pressure vs mean molecular area isotherms (π vs mmA), Langmuir-Blodgett (LB) technique, and infrared reflection-absorption spectroscopy (IRRAS). The block copolymer (PEO32-b-PIB160-b-PEO32) with longer PEO segments forms a stable monolayer and the isotherm reveals a pseudo-plateau starting at π∼5.7 mN/m, also observed in the IRRAS, which is assigned to the pancake-to-brush transition related to the PEO dissolution into the subphase and subsequent PEO brush dehydration. Another plateau is observed at π∼40 mN/m, which is attributed to the film collapse due to multilayer formation. The pancake-to-brush transition could not be observed for samples with smaller PEO chains. The isotherms for block copolymers, with short PEO chains, both symmetric (PEO3-b-PIBn-b-PEO3) and non-symmetric (PEO12-b-PIBn-b-PEO3), reveal another transition at π∼20-25 mN/m. This is interpreted to be due to the conformational transition from a folded state where the middle PIB block is anchored to the water surface at both ends by the terminal hydrophilic segments to an unfolded state with PIB anchored to the water surface at one end. It is assumed that this transition involves the removal of PEO3 chains from the water surface in case of non-symmetric PEO12-b-PIB85-b-PEO3 and in case of symmetric, probably one PEO3 of each PEO3-b-PIB85-b-PEO3 chain. Because of the weaker interaction of the short PEO3 chains with the water surface as compared with the relatively longer PEO12 chains, the film of PEO3-b-PIB85-b-PEO3 collapses at much lower surface pressure after the transition as compared with the PEO12-b-PIB85-b-PEO3. The

Bunch-Kaufman factorization for real symmetric indefinite banded matrices

NASA Technical Reports Server (NTRS)

Jones, Mark T.; Patrick, Merrell L.

1989-01-01

The Bunch-Kaufman algorithm for factoring symmetric indefinite matrices was rejected for banded matrices because it destroys the banded structure of the matrix. Herein, it is shown that for a subclass of real symmetric matrices which arise in solving the generalized eigenvalue problem using Lanczos's method, the Bunch-Kaufman algorithm does not result in major destruction of the bandwidth. Space time complexities of the algorithm are given and used to show that the Bunch-Kaufman algorithm is a significant improvement over LU factorization.

11. VIEW SHOWING TOP OF WATER TANK TAKEN FROM TOP ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

11. VIEW SHOWING TOP OF WATER TANK TAKEN FROM TOP OF ELEVATOR SHAFT. - U.S. Naval Base, Pearl Harbor, Signal Tower, Corner of Seventh Street & Avenue D east of Drydock No. 1, Pearl City, Honolulu County, HI

Traffic operation strategies : TOPS

DOT National Transportation Integrated Search

2000-04-01

The Legislature required the Department of Transportation to submit a report on Traffic Operations Strategies (TOPS). This report responds to the Legislative requirement by describing the motivation for TOPS, the current status of TOPS, and opportuni...

Magnetic moment enhancement and spin polarization switch of the manganese phthalocyanine molecule on an IrMn(100) surface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sun, X.; National Institute for Materials Science, 1-2-1 Sengen, Tsukuba 305-0047; Wang, B.

2014-07-21

The geometric, electronic, and magnetic structures of a manganese phthalocyanine (MnPc) molecule on an antiferromagnetic IrMn(100) surface are studied by density functional theory calculations. Two kinds of orientation of the adsorbed MnPc molecule are predicted to coexist due to molecular self-assembly on the surface—a top-site geometry with the Mn–N bonds aligned along the 〈100〉 direction, and a hollow-site orientation in which the Mn–N bonds are parallel to the 〈110〉 direction. The MnPc molecule is antiferromagnetically coupled to the substrate at the top site with a slight reduction in the magnetic moment of the Mn atom of the MnPc molecule (Mn{submore » mol}). In contrast, the magnetic moment of the Mn{sub mol} is enhanced to 4.28 μB at the hollow site, a value larger than that in the free MnPc molecule (3.51 μB). Molecular distortion induced by adsorption is revealed to be responsible for the enhancement of the magnetic moment. Furthermore, the spin polarization of the Mn{sub mol} atom at around the Fermi level is found to change from negative to positive through an elongation of the Mn–N bonds of the MnPc. We propose that a reversible switch of the low/high magnetic moment and negative/positive spin polarization might be realized through some mechanical engineering methods.« less

Three-dimensional single-molecule localization with nanometer accuracy using Metal-Induced Energy Transfer (MIET) imaging

NASA Astrophysics Data System (ADS)

Karedla, Narain; Chizhik, Anna M.; Stein, Simon C.; Ruhlandt, Daja; Gregor, Ingo; Chizhik, Alexey I.; Enderlein, Jörg

2018-05-01

Our paper presents the first theoretical and experimental study using single-molecule Metal-Induced Energy Transfer (smMIET) for localizing single fluorescent molecules in three dimensions. Metal-Induced Energy Transfer describes the resonant energy transfer from the excited state of a fluorescent emitter to surface plasmons in a metal nanostructure. This energy transfer is strongly distance-dependent and can be used to localize an emitter along one dimension. We have used Metal-Induced Energy Transfer in the past for localizing fluorescent emitters with nanometer accuracy along the optical axis of a microscope. The combination of smMIET with single-molecule localization based super-resolution microscopy that provides nanometer lateral localization accuracy offers the prospect of achieving isotropic nanometer localization accuracy in all three spatial dimensions. We give a thorough theoretical explanation and analysis of smMIET, describe its experimental requirements, also in its combination with lateral single-molecule localization techniques, and present first proof-of-principle experiments using dye molecules immobilized on top of a silica spacer, and of dye molecules embedded in thin polymer films.

Axially symmetrical stresses measurement in the cylindrical tube using DIC with hole-drilling

NASA Astrophysics Data System (ADS)

Ma, Yinji; Yao, Xuefeng; Zhang, Danwen

2015-03-01

In this paper, a new method combining the digital image correlation (DIC) with the hole-drilling technology to characterize the axially symmetrical stresses of the cylindrical tube is developed. First, the theoretical expressions of the axially symmetrical stresses in the cylindrical tube are derived based on the displacement or strain fields before and after hole-drilling. Second, the release of the axially symmetrical stresses for the cylindrical tube caused by hole-drilling is simulated by the finite element method (FEM), which indicates that the axially symmetrical stresses of the cylindrical tube calculated by the cylindrical solution is more accuracy than that for traditionally planar solution. Finally, both the speckle image information and the displacement field of the cylindrical tube before and after hole-drilling are extracted by combining the DIC with the hole-drilling technology, then the axially symmetrical loading induced stresses of the cylindrical tube are obtained, which agree well with the results from the strain gauge method.

Particle in a box in PT-symmetric quantum mechanics and an electromagnetic analog

NASA Astrophysics Data System (ADS)

Dasarathy, Anirudh; Isaacson, Joshua P.; Jones-Smith, Katherine; Tabachnik, Jason; Mathur, Harsh

2013-06-01

In PT-symmetric quantum mechanics a fundamental principle of quantum mechanics, that the Hamiltonian must be Hermitian, is replaced by another set of requirements, including notably symmetry under PT, where P denotes parity and T denotes time reversal. Here we study the role of boundary conditions in PT-symmetric quantum mechanics by constructing a simple model that is the PT-symmetric analog of a particle in a box. The model has the usual particle-in-a-box Hamiltonian but boundary conditions that respect PT symmetry rather than Hermiticity. We find that for a broad class of PT-symmetric boundary conditions the model respects the condition of unbroken PT symmetry, namely, that the Hamiltonian and the symmetry operator PT have simultaneous eigenfunctions, implying that the energy eigenvalues are real. We also find that the Hamiltonian is self-adjoint under the PT-symmetric inner product. Thus we obtain a simple soluble model that fulfills all the requirements of PT-symmetric quantum mechanics. In the second part of this paper we formulate a variational principle for PT-symmetric quantum mechanics that is the analog of the textbook Rayleigh-Ritz principle. Finally we consider electromagnetic analogs of the PT-symmetric particle in a box. We show that the isolated particle in a box may be realized as a Fabry-Perot cavity between an absorbing medium and its conjugate gain medium. Coupling the cavity to an external continuum of incoming and outgoing states turns the energy levels of the box into sharp resonances. Remarkably we find that the resonances have a Breit-Wigner line shape in transmission and a Fano line shape in reflection; by contrast, in the corresponding Hermitian case the line shapes always have a Breit-Wigner form in both transmission and reflection.

Stabilization of self-mode-locked quantum dash lasers by symmetric dual-loop optical feedback

NASA Astrophysics Data System (ADS)

Asghar, Haroon; Wei, Wei; Kumar, Pramod; Sooudi, Ehsan; McInerney, John. G.

2018-02-01

We report experimental studies of the influence of symmetric dual-loop optical feedback on the RF linewidth and timing jitter of self-mode-locked two-section quantum dash lasers emitting at 1550 nm. Various feedback schemes were investigated and optimum levels determined for narrowest RF linewidth and low timing jitter, for single-loop and symmetric dual-loop feedback. Two symmetric dual-loop configurations, with balanced and unbalanced feedback ratios, were studied. We demonstrate that unbalanced symmetric dual loop feedback, with the inner cavity resonant and fine delay tuning of the outer loop, gives narrowest RF linewidth and reduced timing jitter over a wide range of delay, unlike single and balanced symmetric dual-loop configurations. This configuration with feedback lengths 80 and 140 m narrows the RF linewidth by 4-67x and 10-100x, respectively, across the widest delay range, compared to free-running. For symmetric dual-loop feedback, the influence of different power split ratios through the feedback loops was determined. Our results show that symmetric dual-loop feedback is markedly more effective than single-loop feedback in reducing RF linewidth and timing jitter, and is much less sensitive to delay phase, making this technique ideal for applications where robustness and alignment tolerance are essential.

Proteomics in Heart Failure: Top-down or Bottom-up?

PubMed Central

Gregorich, Zachery R.; Chang, Ying-Hua; Ge, Ying

2014-01-01

Summary The pathophysiology of heart failure (HF) is diverse, owing to multiple etiologies and aberrations in a number of cellular processes. Therefore, it is essential to understand how defects in the molecular pathways that mediate cellular responses to internal and external stressors function as a system to drive the HF phenotype. Mass spectrometry (MS)-based proteomics strategies have great potential for advancing our understanding of disease mechanisms at the systems level because proteins are the effector molecules for all cell functions and, thus, are directly responsible for determining cell phenotype. Two MS-based proteomics strategies exist: peptide-based bottom-up and protein-based top-down proteomics—each with its own unique strengths and weaknesses for interrogating the proteome. In this review, we will discuss the advantages and disadvantages of bottom-up and top-down MS for protein identification, quantification, and the analysis of post-translational modifications, as well as highlight how both of these strategies have contributed to our understanding of the molecular and cellular mechanisms underlying HF. Additionally, the challenges associated with both proteomics approaches will be discussed and insights will be offered regarding the future of MS-based proteomics in HF research. PMID:24619480

Analysis of quantum error correction with symmetric hypergraph states

NASA Astrophysics Data System (ADS)

Wagner, T.; Kampermann, H.; Bruß, D.

2018-03-01

Graph states have been used to construct quantum error correction codes for independent errors. Hypergraph states generalize graph states, and symmetric hypergraph states have been shown to allow for the correction of correlated errors. In this paper, it is shown that symmetric hypergraph states are not useful for the correction of independent errors, at least for up to 30 qubits. Furthermore, error correction for error models with protected qubits is explored. A class of known graph codes for this scenario is generalized to hypergraph codes.

14 CFR 23.331 - Symmetrical flight conditions.

Code of Federal Regulations, 2010 CFR

2010-01-01

... inertia loads corresponding to any of the symmetrical flight conditions specified in §§ 23.333 through 23... angular inertia of the airplane in a rational or conservative manner. (c) Mutual influence of the...

14 CFR 25.331 - Symmetric maneuvering conditions.

Code of Federal Regulations, 2011 CFR

2011-01-01

... Conditions § 25.331 Symmetric maneuvering conditions. (a) Procedure. For the analysis of the maneuvering... factor (at point A2 in § 25.333(b)), or the resulting tailplane normal load reaches its maximum...

14 CFR 23.331 - Symmetrical flight conditions.

Code of Federal Regulations, 2011 CFR

2011-01-01

... inertia loads corresponding to any of the symmetrical flight conditions specified in §§ 23.333 through 23... angular inertia of the airplane in a rational or conservative manner. (c) Mutual influence of the...

14 CFR 23.331 - Symmetrical flight conditions.

Code of Federal Regulations, 2013 CFR

2013-01-01

... inertia loads corresponding to any of the symmetrical flight conditions specified in §§ 23.333 through 23... angular inertia of the airplane in a rational or conservative manner. (c) Mutual influence of the...

14 CFR 23.331 - Symmetrical flight conditions.

Code of Federal Regulations, 2012 CFR

2012-01-01

... inertia loads corresponding to any of the symmetrical flight conditions specified in §§ 23.333 through 23... angular inertia of the airplane in a rational or conservative manner. (c) Mutual influence of the...

14 CFR 23.331 - Symmetrical flight conditions.

Code of Federal Regulations, 2014 CFR

2014-01-01

... inertia loads corresponding to any of the symmetrical flight conditions specified in §§ 23.333 through 23... angular inertia of the airplane in a rational or conservative manner. (c) Mutual influence of the...

Study of the kinematic and load sharing properties of wormgearing with non-symmetric tooth profiles

NASA Technical Reports Server (NTRS)

Sun, D. C.; Yuan, Qin

1995-01-01

The geometry of non-symmetric tooth profiles, i.e. tooth profiles with different pressure angles on the two sides of the tooth, is studied. A feasible non-symmetric tooth profile for application in helicopter transmissions is laid out as the best compromise among several conflicting factors. The non-symmetric tooth profile is then compared with the symmetric tooth profile studied previously. Based on the detailed comparisons it is concluded that the use of the non-symmetric tooth profile would severely limit the face width of the worm, consequently reduce the number of meshing teeth and cause much higher normal load on the individual gear teeth.

Symmetric voltage-controlled variable resistance

NASA Technical Reports Server (NTRS)

Vanelli, J. C.

1978-01-01

Feedback network makes resistance of field-effect transistor (FET) same for current flowing in either direction. It combines control voltage with source and load voltages to give symmetric current/voltage characteristics. Since circuit produces same magnitude output voltage for current flowing in either direction, it introduces no offset in presense of altering polarity signals. It is therefore ideal for sensor and effector circuits in servocontrol systems.

Inter-molecule interaction for magnetic property of vanadyl tetrakis(thiadiazole) porphyrazine film on Au(1 1 1)

NASA Astrophysics Data System (ADS)

Hou, Jie; Wang, Yu; Eguchi, Keitaro; Nanjo, Chihiro; Takaoka, Tsuyoshi; Sainoo, Yasuyuki; Awaga, Kunio; Komeda, Tadahiro

2018-05-01

We report scanning tunneling microscope (STM) observation of vanadyl tetrakis(thiadiazole) porphyrazine (VOTTDPz) molecules, which is a family molecule of phthalocyanine (Pc) but without Csbnd H termination in the perimeter, deposited on Au(1 1 1) surface. Well-ordered film corresponding to 4 × 4 superstructure with respect to Au(1 1 1) surface is formed, in which the centers of the molecules are separated by 1.12 nm, which is much smaller than that observed for a VOPc molecule on Au(1 1 1), due to the absence of Csbnd H termination. At the same time, the azimuthal angles of neighboring molecules rotate with each other by 30°. A contrast variation of bright and dark molecules is observed, which are interpreted as O-up and O-down molecules, respectively, based on the density functional theory simulation. Spin-polarized local density of states calculation shows spin-polarized V 3d state, which is delocalized over the ring. Spin detection is executed by measuring Kondo resonance in the tunneling spectroscopy near the Fermi level, which is caused by the interaction of an isolated spin and conduction electron of the substrate. We detected asymmetric and weak Kondo peak for out-of-plane outer magnetic field of 0 T, which becomes strong and symmetric peak at 5 T, which is understood by the shift of the spin center of the Kondo resonance from V 3d to delocalized π state in ring with the magnetic field.

On equatorially symmetric and antisymmetric geomagnetic secular variation timescales

NASA Astrophysics Data System (ADS)

Amit, Hagay; Coutelier, Maélie; Christensen, Ulrich R.

2018-03-01

It has been suggested that the secular variation (SV) timescales of the geomagnetic field vary as 1 / ℓ (where ℓ is the spherical harmonic degree), except for the dipole. Here we propose that the same scaling law applies for SV timescales defined for different symmetry classes of the geomagnetic field and SV. We decompose the field and its SV into symmetric and antisymmetric parts and show in geomagnetic field models and numerical dynamo simulations that the corresponding SV timescales also vary as 1 / ℓ , again except for the dipole. The time-average antisymmetric/symmetric SV timescales are larger/smaller than the total, respectively. The difference in SV timescales between these two symmetry classes is probably due to different degrees of alignment of the core flow with different magnetic field structures at the core-mantle boundary. The symmetric dipole SV timescale in the recent geomagnetic field and in long-term time-averages from numerical dynamos is below the extrapolated 1 / ℓ curve, whereas before ∼ 1965 the geomagnetic dipole tilt was rather steady and the symmetric dipole SV timescale exceeded the extrapolated 1 / ℓ curve. We hypothesize that the period of nearly steady geomagnetic dipole tilt between 1810-1965 was anomalous for the geodynamo. Overall, the deviation of the dipole SV timescales from the 1 / ℓ curves may indicate that magnetic diffusion contributes to the dipole SV more than it does for higher degrees.

On the ordinary quiver of the symmetric group over a field of characteristic 2

NASA Astrophysics Data System (ADS)

Martin, Stuart; Russell, Lee

1997-11-01

Let [fraktur S]n and [fraktur A]n denote the symmetric and alternating groups of degree n[set membership][open face N] respectively. Let p be a prime number and let F be an arbitrary field of characteristic p. We say that a partition of n is p-regular if no p (non-zero) parts of it are equal; otherwise we call it p-singular. Let S[lambda]F denote the Specht module corresponding to [lambda]. For [lambda] a p-regular partition of n let D[lambda]F denote the unique irreducible top factor of S[lambda]F. Denote by [Delta][lambda]F =D[lambda]F [downward arrow][fraktur A]n its restriction to [fraktur A]n. Recall also that, over F, the ordinary quiver of the modular group algebra FG is a finite directed graph defined as follows: the vertices are labelled by the set of all simple FG-modules, L1, [ctdot], Lr, and the number of arrows from Li to Lj equals dimFExtFG(Li, Lj). The quiver gives important information about the block structure of G.

PRMT7, a new protein arginine methyltransferase that synthesizes symmetric dimethylarginine.

PubMed

Lee, Jin-Hyung; Cook, Jeffry R; Yang, Zhi-Hong; Mirochnitchenko, Olga; Gunderson, Samuel I; Felix, Arthur M; Herth, Nicole; Hoffmann, Ralf; Pestka, Sidney

2005-02-04

The cDNA for PRMT7, a recently discovered human protein-arginine methyltransferase (PRMT), was cloned and expressed in Escherichia coli and mammalian cells. Immunopurified PRMT7 actively methylated histones, myelin basic protein, a fragment of human fibrillarin (GAR) and spliceosomal protein SmB. Amino acid analysis showed that the modifications produced were predominantly monomethylarginine and symmetric dimethylarginine (SDMA). Examination of PRMT7 expressed in E. coli demonstrated that peptides corresponding to sequences contained in histone H4, myelin basic protein, and SmD3 were methylated. Furthermore, analysis of the methylated proteins showed that symmetric dimethylarginine and relatively small amounts of monomethylarginine and asymmetric dimethylarginine were produced. SDMA was also formed when a GRG tripeptide was methylated by PRMT7, indicating that a GRG motif is by itself sufficient for symmetric dimethylation to occur. Symmetric dimethylation is reduced dramatically compared with monomethylation as the concentration of the substrate is increased. The data demonstrate that PRMT7 (like PRMT5) is a Type II methyltransferase capable of producing SDMA modifications in proteins.

Theoretical and experimental evidence of non-symmetric doubly localized rogue waves.

PubMed

He, Jingsong; Guo, Lijuan; Zhang, Yongshuai; Chabchoub, Amin

2014-11-08

We present determinant expressions for vector rogue wave (RW) solutions of the Manakov system, a two-component coupled nonlinear Schrödinger (NLS) equation. As a special case, we generate a family of exact and non-symmetric RW solutions of the NLS equation up to third order, localized in both space and time. The derived non-symmetric doubly localized second-order solution is generated experimentally in a water wave flume for deep-water conditions. Experimental results, confirming the characteristic non-symmetric pattern of the solution, are in very good agreement with theory as well as with numerical simulations, based on the modified NLS equation, known to model accurately the dynamics of weakly nonlinear wave packets in deep water.

47 CFR 51.711 - Symmetrical reciprocal compensation.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 47 Telecommunication 3 2013-10-01 2013-10-01 false Symmetrical reciprocal compensation. 51.711 Section 51.711 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) COMMON CARRIER SERVICES (CONTINUED) INTERCONNECTION Reciprocal Compensation for Transport and Termination of Telecommunications...

Dynamic self-organisation of haematopoiesis and (a)symmetric cell division.

PubMed

Måløy, Marthe; Måløy, Frode; Jakobsen, Per; Olav Brandsdal, Bjørn

2017-02-07

A model of haematopoiesis that links self-organisation with symmetric and asymmetric cell division is presented in this paper. It is assumed that all cell divisions are completely random events, and that the daughter cells resulting from symmetric and asymmetric stem cell divisions are, in general, phenotypically identical, and still, the haematopoietic system has the flexibility to self-renew, produce mature cells by differentiation, and regenerate undifferentiated and differentiated cells when necessary, due to self-organisation. As far as we know, no previous model implements symmetric and asymmetric division as the result of self-organisation. The model presented in this paper is inspired by experiments on the Drosophila germline stem cell, which imply that under normal conditions, the stem cells typically divide asymmetrically, whereas during regeneration, the rate of symmetric division increases. Moreover, the model can reproduce several of the results from experiments on female Safari cats. In particular, the model can explain why significant fluctuation in the phenotypes of haematopoietic cells was observed in some cats, when the haematopoietic system had reached normal population level after regeneration. To our knowledge, no previous model of haematopoiesis in Safari cats has captured this phenomenon. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

Difficulties in Laboratory Studies and Astronomical Observations of Organic Molecules: Hydroxyacetone and Lactic Acid

NASA Technical Reports Server (NTRS)

Apponi, A. J.; Brewster, M. A.; Hoy, J.; Ziurys, L. M.

2006-01-01

For the past 35 years, radio astronomy has revealed a rich organic chemistry in the interstellar gas, which is exceptionally complex towards active star-forming regions. New solar systems condense out of this gas and may influence the evolution of life on newly formed planets. Much of the biologically important functionality is present among the some 130 gas-phase molecules found to date, including alcohols, aldehydes, ketones, acids, amines, amides and even the simplest sugar - glycolaldehyde. Still, many unidentified interstellar radio signals remain, and their identification relies on further laboratory study. The molecules hydroxyacetone and lactic acid are relatively small organic molecules, but possess rather complex rotational spectra owing to their high asymmetry. Hydroxyacetone is particularly problematic because it possess a very low barrier to internal rotation, and exhibits strong coupling of the free-rotor states with the overall rotation of the molecule. As in the case of acetamide, a full decomposition method was employed to order the resultant eigenstates onto normal asymmetric top eigenvectors.

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…

7. DETAIL OF TOP CHORD/END POST CONNECTION. THE TOPS OF ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

7. DETAIL OF TOP CHORD/END POST CONNECTION. THE TOPS OF BOTH MEMBERS ARE COVERED WITH SOLID PLATES. - Montgomery County Bridge No. 221, Metz Road spanning Towamencin Creek, Skippack, Montgomery County, PA

Determining the Drag Coefficient of Rotational Symmetric Objects Falling through Liquids

ERIC Educational Resources Information Center

Houari, Ahmed

2012-01-01

I will propose here a kinematic approach for measuring the drag coefficient of rotational symmetric objects falling through liquids. For this, I will show that one can obtain a measurement of the drag coefficient of a rotational symmetric object by numerically solving the equation of motion describing its fall through a known liquid contained in a…

Holographic Spherically Symmetric Metrics

NASA Astrophysics Data System (ADS)

Petri, Michael

The holographic principle (HP) conjectures, that the maximum number of degrees of freedom of any realistic physical system is proportional to the system's boundary area. The HP has its roots in the study of black holes. It has recently been applied to cosmological solutions. In this article we apply the HP to spherically symmetric static space-times. We find that any regular spherically symmetric object saturating the HP is subject to tight constraints on the (interior) metric, energy-density, temperature and entropy-density. Whenever gravity can be described by a metric theory, gravity is macroscopically scale invariant and the laws of thermodynamics hold locally and globally, the (interior) metric of a regular holographic object is uniquely determined up to a constant factor and the interior matter-state must follow well defined scaling relations. When the metric theory of gravity is general relativity, the interior matter has an overall string equation of state (EOS) and a unique total energy-density. Thus the holographic metric derived in this article can serve as simple interior 4D realization of Mathur's string fuzzball proposal. Some properties of the holographic metric and its possible experimental verification are discussed. The geodesics of the holographic metric describe an isotropically expanding (or contracting) universe with a nearly homogeneous matter-distribution within the local Hubble volume. Due to the overall string EOS the active gravitational mass-density is zero, resulting in a coasting expansion with Ht = 1, which is compatible with the recent GRB-data.

Small-Noise Analysis and Symmetrization of Implicit Monte Carlo Samplers

DOE PAGES

Goodman, Jonathan; Lin, Kevin K.; Morzfeld, Matthias

2015-07-06

Implicit samplers are algorithms for producing independent, weighted samples from multivariate probability distributions. These are often applied in Bayesian data assimilation algorithms. We use Laplace asymptotic expansions to analyze two implicit samplers in the small noise regime. Our analysis suggests a symmetrization of the algorithms that leads to improved implicit sampling schemes at a relatively small additional cost. Here, computational experiments confirm the theory and show that symmetrization is effective for small noise sampling problems.

Longitudinal growth of head circumference in term symmetric and asymmetric small for gestational age infants.

PubMed

Kaur, Harvinder; Bhalla, A K; Kumar, Praveen

2012-07-01

To study longitudinal growth pattern of head circumference of full-term symmetric and asymmetric small for gestational age (SGA) infants of the two sexes during first year of life. Mixed-longitudinal growth research design. Head circumference amongst full-term 100 symmetric, 100 asymmetric as well as 100 appropriate for gestational age (AGA) infants was measured at birth, 1, 3, 6, 9 and 12 months of age using standardized technique and instrument. The mean head circumference of male symmetric SGA infants measured significantly (p≤0.001) smaller than asymmetric SGA infants while, in female symmetric SGA infants it measured shorter beyond 6 months. As compared to AGA infants, head circumference in symmetric and asymmetric SGA infants measured significantly smaller in size. Growth velocity for head circumference amongst symmetric and asymmetric SGA male infants did not show statistically significant differences. Rate of head circumference growth remained significantly higher amongst female asymmetric SGA infants than the symmetric ones between 3 and 6 months while, a reversal of trend was observed between 9 and 12 months. The better growth attainments for head circumference of male and female asymmetric SGA infants than their symmetric SGA counterparts during first postnatal year of life may be attributed to the continuation of influence of "head sparing" experienced by asymmetric SGA babies during prenatal life. Copyright © 2011 Elsevier Ltd. All rights reserved.

Study of the In2O3 molecule in the free state and in the crystal

NASA Astrophysics Data System (ADS)

Kaplan, Ilya G.; Miranda, Ulises; Trakhtenberg, Leonid I.

2018-03-01

The nanomaterials based on the In2O3 molecule are widely used as catalysts and sensors among other applications. In the present study, we discuss the possibility of using nanoclusters of In2O3 as molecular photomotors. A comparative analysis of the electronic structure of the In2O3 molecule in the free state and in the crystal is performed. For the free In2O3 molecule the geometry of its lowest structures, V-shape and linear, was optimised at the CCSD(T) level, which is the most precise computational method applied up to date to study In2O3. Using experimental crystallographic data, we determined the geometry of In2O3 in the crystal. It has a zigzag, not symmetric structure and possesses a dipole moment with magnitude slightly smaller than that of the V-structure of the free molecule (the linear structure due to its symmetry has no dipole moment). According to the Natural Atomic population analysis, the chemical structure of the linear In2O3 can be represented as O = In-O-In = O; the V-shaped molecule has the similar double- and single-bond structure. The construction of nanoclusters from ´bricksʼ of In2O3 with geometry extracted from crystal (or nanoclusters extracted directly from crystal) and their use as photo-driven molecular motors are discussed.

Ultrastrong extraordinary transmission and reflection in PT-symmetric Thue-Morse optical waveguide networks.

PubMed

Wu, Jiaye; Yang, Xiangbo

2017-10-30

In this paper, we construct a 1D PT-symmetric Thue-Morse aperiodic optical waveguide network (PTSTMAOWN) and mainly investigate the ultrastrong extraordinary transmission and reflection. We propose an approach to study the photonic modes and solve the problem of calculating photonic modes distributions in aperiodic networks due to the lack of dispersion functions and find that in a PTSTMAOWN there exist more photonic modes and more spontaneous PT-symmetric breaking points, which are quite different from other reported PT-symmetric optical systems. Additionally, we develop a method to sort spontaneous PT-symmetric breaking point zones to seek the strongest extraordinary point and obtain that at this point the strongest extraordinary transmission and reflection arrive at 2.96316 × 10 5 and 1.32761 × 10 5 , respectively, due to the PT-symmetric coupling resonance and the special symmetry pattern of TM networks. These enormous gains are several orders of magnitude larger than the previous results. This optical system may possess potential in designing optical amplifier, optical logic elements in photon computers and ultrasensitive optical switches with ultrahigh monochromatity.

Symmetric scrolled packings of multilayered carbon nanoribbons

NASA Astrophysics Data System (ADS)

Savin, A. V.; Korznikova, E. A.; Lobzenko, I. P.; Baimova, Yu. A.; Dmitriev, S. V.

2016-06-01

Scrolled packings of single-layer and multilayer graphene can be used for the creation of supercapacitors, nanopumps, nanofilters, and other nanodevices. The full atomistic simulation of graphene scrolls is restricted to consideration of relatively small systems in small time intervals. To overcome this difficulty, a two-dimensional chain model making possible an efficient calculation of static and dynamic characteristics of nanoribbon scrolls with allowance for the longitudinal and bending stiffness of nanoribbons is proposed. The model is extended to the case of scrolls of multilayer graphene. Possible equilibrium states of symmetric scrolls of multilayer carbon nanotribbons rolled up so that all nanoribbons in the scroll are equivalent are found. Dependences of the number of coils, the inner and outer radii, lowest vibrational eigenfrequencies of rolled packages on the length L of nanoribbons are obtained. It is shown that the lowest vibrational eigenfrequency of a symmetric scroll decreases with a nanoribbon length proportionally to L -1. It is energetically unfavorable for too short nanoribbons to roll up, and their ground state is a stack of plane nanoribbons. With an increasing number k of layers, the nanoribbon length L necessary for creation of symmetric scrolls increases. For a sufficiently small number of layers k and a sufficiently large nanoribbon length L, the scrolled packing has the lowest energy as compared to that of stack of plane nanoribbons and folded structures. The results can be used for development of nanomaterials and nanodevices on the basis of graphene scrolled packings.

Symmetric supercapacitor: Sulphurized graphene and ionic liquid.

PubMed

Shaikh, Jasmin S; Shaikh, Navajsharif S; Kharade, Rohini; Beknalkar, Sonali A; Patil, Jyoti V; Suryawanshi, Mahesh P; Kanjanaboos, Pongsakorn; Hong, Chang Kook; Kim, Jin Hyeok; Patil, Pramod S

2018-10-01

Symmetric supercapacitor is advanced over simple supercapacitor device due to their stability over a large potential window and high energy density. Graphene is a desired candidate for supercapacitor application since it has a high surface area, good electronic conductivity and high electro chemical stability. There is a pragmatic use of ionic liquid electrolyte for supercapacitor due to its stability over a large potential window, good ionic conductivity and eco-friendly nature. For high performance supercapacitor, the interaction between ionic liquid electrolyte and graphene are crucial for better charge transportation. In respect of this, a three-dimensional (3D) nanoporous honeycomb shaped sulfur embedded graphene (S-graphene) has been synthesized by simple chemical method. Here, the fabrication of high performance symmetric supercapacitor is done by using S-graphene as an electrode and [BMIM-PF 6 ] as an electrolyte. The particular architecture of S-graphene benefited to reduce the ion diffusion resistance, providing the large surface area for charge transportation and efficient charge storage. The S-graphene and ionic liquid-based symmetric supercapacitor device showed the large potential window of 3.2 V with high energy density 124 Wh kg -1 at 0.2 A g -1 constant applied current density. Furthermore, this device shows good cycling performance (stability) with a capacitive retention of 95% over 20,000 cycles at a higher current density of 2 A g -1 . Copyright © 2018 Elsevier Inc. All rights reserved.

The symmetric MSD encoder for one-step adder of ternary optical computer

NASA Astrophysics Data System (ADS)

Kai, Song; LiPing, Yan

2016-08-01

The symmetric Modified Signed-Digit (MSD) encoding is important for achieving the one-step MSD adder of Ternary Optical Computer (TOC). The paper described the symmetric MSD encoding algorithm in detail, and developed its truth table which has nine rows and nine columns. According to the truth table, the state table was developed, and the optical-path structure and circuit-implementation scheme of the symmetric MSD encoder (SME) for one-step adder of TOC were proposed. Finally, a series of experiments were designed and performed. The observed results of the experiments showed that the scheme to implement SME was correct, feasible and efficient.

Distillation and purification of symmetric entangled Gaussian states

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fiurasek, Jaromir

2010-10-15

We propose an entanglement distillation and purification scheme for symmetric two-mode entangled Gaussian states that allows to asymptotically extract a pure entangled Gaussian state from any input entangled symmetric Gaussian state. The proposed scheme is a modified and extended version of the entanglement distillation protocol originally developed by Browne et al. [Phys. Rev. A 67, 062320 (2003)]. A key feature of the present protocol is that it utilizes a two-copy degaussification procedure that involves a Mach-Zehnder interferometer with single-mode non-Gaussian filters inserted in its two arms. The required non-Gaussian filtering operations can be implemented by coherently combining two sequences ofmore » single-photon addition and subtraction operations.« less

Thermoelectric ZT enhanced by asymmetric configuration in single-molecule-magnet junctions

NASA Astrophysics Data System (ADS)

Niu, Pengbin; Shi, Yunlong; Sun, Zhu; Nie, Yi-Hang; Luo, Hong-Gang

2016-02-01

In mesoscopic devices, many factors like the Coulomb and spin interactions can enhance the thermoelectric figure of merit ZT. Here we use a system consisting of a single-molecule magnet (SMM) connected to two ferromagnetic electrodes to consider the possible enhancement effects of thermoelectric efficiency. By introducing an asymmetric configuration to the transport junction, we find that this configuration can significantly enhance the thermoelectric ZT. The optimized asymmetric thermoelectric ZT is five times that of the ZT with a symmetric configuration or non-magnetic case. Due to this asymmetry, a non-zero charge thermopower at the electron-hole symmetry point is also found. These results demonstrate that the asymmetry of the transport junction helps to enhance thermoelectric efficiency and is useful for fabricating SMM-based thermoelectric devices.

PCA-HOG symmetrical feature based diseased cell detection

NASA Astrophysics Data System (ADS)

Wan, Min-jie

2016-04-01

A histogram of oriented gradient (HOG) feature is applied to the field of diseased cell detection, which can detect diseased cells in high resolution tissue images rapidly, accurately and efficiently. Firstly, motivated by symmetrical cellular forms, a new HOG symmetrical feature based on the traditional HOG feature is proposed to meet the condition of cell detection. Secondly, considering the high feature dimension of traditional HOG feature leads to plenty of memory resources and long runtime in practical applications, a classical dimension reduction method called principal component analysis (PCA) is used to reduce the dimension of high-dimensional HOG descriptor. Because of that, computational speed is increased greatly, and the accuracy of detection can be controlled in a proper range at the same time. Thirdly, support vector machine (SVM) classifier is trained with PCA-HOG symmetrical features proposed above. At last, practical tissue images is detected and analyzed by SVM classifier. In order to verify the effectiveness of this new algorithm, it is practically applied to conduct diseased cell detection which takes 200 pieces of H&E (hematoxylin & eosin) high resolution staining histopathological images collected from 20 breast cancer patients as a sample. The experiment shows that the average processing rate can be 25 frames per second and the detection accuracy can be 92.1%.

Top physics at CDF

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hughes, R.E.

1997-01-01

We report on top physics results using a 100 pb{sup -1} data sample of p{bar p} collisions at {radical}s = 1.8 TeV collected with the Collider Detector at Fermilab (CDF). We have identified top signals in a variety of decay channels, and used these channels to extract a measurement of the top mass and production cross section. A subset of the data (67 pb{sup -1}) is used to determine M{sub top} = 176 {+-} 8(stat) {+-} 10(syst) and {sigma}(tt) = 7.6 {sub -2.0}{sup +2.4} pb. We present studies of the kinematics of t{bar t} events and extract the first directmore » measurement of V{sub tb}. Finally, we indicate prospects for future study of top physics at the Tevatron.« less

Improving the efficiency of branch-and-bound complete-search NMR assignment using the symmetry of molecules and spectra

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bernal, Andrés; Patiny, Luc; Castillo, Andrés M.

2015-02-21

Nuclear magnetic resonance (NMR) assignment of small molecules is presented as a typical example of a combinatorial optimization problem in chemical physics. Three strategies that help improve the efficiency of solution search by the branch and bound method are presented: 1. reduction of the size of the solution space by resort to a condensed structure formula, wherein symmetric nuclei are grouped together; 2. partitioning of the solution space based on symmetry, that becomes the basis for an efficient branching procedure; and 3. a criterion of selection of input restrictions that leads to increased gaps between branches and thus faster pruningmore » of non-viable solutions. Although the examples chosen to illustrate this work focus on small-molecule NMR assignment, the results are generic and might help solving other combinatorial optimization problems.« less

Relativistic scattered-wave theory. II - Normalization and symmetrization. [of Dirac wavefunctions

NASA Technical Reports Server (NTRS)

Yang, C. Y.

1978-01-01

Formalisms for normalization and symmetrization of one-electron Dirac scattered-wave wavefunctions are presented. The normalization integral consists of one-dimensional radial integrals for the spherical regions and an analytic expression for the intersphere region. Symmetrization drastically reduces the size of the secular matrix to be solved. Examples for planar Pb2Se2 and tetrahedral Pd4 are discussed.

Resonance-dependent extraordinary reflection and transmission in PC-symmetric layered structure

NASA Astrophysics Data System (ADS)

Fang, Yun-tuan; Zhang, Yi-chi; Wang, Ji-Jun

2018-01-01

In order to achieve controllable enhanced reflection and transmission in part-time (PT) symmetric systems, we combine a cavity resonance effect with the layered PT-symmetric structure. At the resonance wavelength, except for the nonreciprocal extraordinary reflection, an enhanced transmission is also obtained. Both the extraordinary reflectance and transmittance are dependent on the modulation depth and period number in a discrete form.

The 1/ N Expansion of Tensor Models with Two Symmetric Tensors

NASA Astrophysics Data System (ADS)

Gurau, Razvan

2018-06-01

It is well known that tensor models for a tensor with no symmetry admit a 1/ N expansion dominated by melonic graphs. This result relies crucially on identifying jackets, which are globally defined ribbon graphs embedded in the tensor graph. In contrast, no result of this kind has so far been established for symmetric tensors because global jackets do not exist. In this paper we introduce a new approach to the 1/ N expansion in tensor models adapted to symmetric tensors. In particular we do not use any global structure like the jackets. We prove that, for any rank D, a tensor model with two symmetric tensors and interactions the complete graph K D+1 admits a 1/ N expansion dominated by melonic graphs.

Theoretical and experimental evidence of non-symmetric doubly localized rogue waves

PubMed Central

He, Jingsong; Guo, Lijuan; Zhang, Yongshuai; Chabchoub, Amin

2014-01-01

We present determinant expressions for vector rogue wave (RW) solutions of the Manakov system, a two-component coupled nonlinear Schrödinger (NLS) equation. As a special case, we generate a family of exact and non-symmetric RW solutions of the NLS equation up to third order, localized in both space and time. The derived non-symmetric doubly localized second-order solution is generated experimentally in a water wave flume for deep-water conditions. Experimental results, confirming the characteristic non-symmetric pattern of the solution, are in very good agreement with theory as well as with numerical simulations, based on the modified NLS equation, known to model accurately the dynamics of weakly nonlinear wave packets in deep water. PMID:25383023

Modeling multi-nucleon transfer in symmetric collisions of massive nuclei

DOE Office of Scientific and Technical Information (OSTI.GOV)

Welsh, T.; Loveland, W.; Yanez, R.

We propose symmetric collisions of massive nuclei, such as 238U + 248Cm, as ways to make new n-rich heavy nuclei via multi-nucleon transfer (MNT) reactions. We have measured the yields of several projectile-like and target-like fragments from the reaction of 1360 MeV 204Hg + 198Pt. We also find that current models for this symmetric collision (GRAZING, DNS, ImQMD) significantly underestimate the yields of these transfer products, even for small transfers.

Modeling multi-nucleon transfer in symmetric collisions of massive nuclei

DOE PAGES

Welsh, T.; Loveland, W.; Yanez, R.; ...

2017-05-18

We propose symmetric collisions of massive nuclei, such as 238U + 248Cm, as ways to make new n-rich heavy nuclei via multi-nucleon transfer (MNT) reactions. We have measured the yields of several projectile-like and target-like fragments from the reaction of 1360 MeV 204Hg + 198Pt. We also find that current models for this symmetric collision (GRAZING, DNS, ImQMD) significantly underestimate the yields of these transfer products, even for small transfers.

Symmetrical primary cutaneous marginal zone lymphoma associated with rheumatoid arthritis.

PubMed

Yildirim, Fatma Elif; Karaduman, Ayşen; Hürmüz, Pervin; Ozyar, Enis; Barişta, Ibrahim; Sağlam, Arzu

2010-05-01

Primary cutaneous marginal zone B-cell lymphoma (PCMZL) is an indolent low grade B cell lymphoma of the skin, with lack of extracutaneous involvement at the time of diagnosis. Herein we report the case of a patient with rheumatoid arthritis (RA) who developed symmetrical PCMZL lesions on both ear lobes. Lesions occurring symmetrically on ear lobes are more specific for cutaneous lymphoid hyperplasia (CLH) and this kind of symmetrical localization hasn't been reported for PCMZL before. PCMZL is considered to arise from a background of reactive lymphoid hyperplasia and this case point out the concept of CLH and PCMZL spectrum. Association of marginal zone lymphoma with rheumatoid arthritis and resolution of lesions together with the resolution of symptoms due to rheumatoid arthritis after rituximab therapy is another interesting point for this case. To the best of our knowledge PCMZL associated with RA has not been reported previously.

The impact of symmetric modes on intramolecular electron transfer: A semi-classical approach

NASA Astrophysics Data System (ADS)

Coropceanu, Veaceslav; Boldyrev, Sergei I.; Risko, Chad; Brédas, Jean-Luc

2006-07-01

We have generalized the Hush equations developed for the analysis of intervalence charge-transfer bands by including into the model the interaction with symmetric vibrations. Our results indicate that in symmetric class-II systems the maximum of the intervalence charge-transfer band is equal to the reorganization energy λ related to the antisymmetric vibrations as is the case in the conventional Hush model. In contrast, the corresponding transition dipole moment and the activation barrier for thermal electron transfer, in addition to their dependence on λ, also depend on the reorganization energy L related to symmetric vibrational modes. We show that the interaction with symmetric vibrational modes reduces the activation barrier and that the thermal electron-transfer rates derived on the basis of a Hush-type analysis of the optical data are generally underestimated.

Response of Seismometer with Symmetric Triaxial Sensor Configuration to Complex Ground Motion

NASA Astrophysics Data System (ADS)

Graizer, V.

2007-12-01

Most instruments used in seismological practice to record ground motion in all directions use three sensors oriented toward North, East and upward. In this standard configuration horizontal and vertical sensors differ in their construction because of gravity acceleration always applied to a vertical sensor. An alternative way of symmetric sensor configuration was first introduced by Galperin (1955) for petroleum exploration. In this arrangement three identical sensors are also positioned orthogonally to each other but are tilted at the same angle of 54.7 degrees to the vertical axis (triaxial system of coordinate balanced on its corner). Records obtained using symmetric configuration must be rotated into an earth referenced X, Y, Z coordinate system. A number of recent seismological instruments (e.g., broadband seismometers Streckeisen STS-2, Trillium of Nanometrics and Cronos of Kinemetrics) are using symmetric sensor configuration. In most of seismological studies it is assumed that rotational (rocking and torsion) components of earthquake ground motion are small enough to be neglected. However, recently examples were shown when rotational components are significant relative to translational components of motions. Response of pendulums installed in standard configuration (vertical and two horizontals) to complex input motion that includes rotations has been studied in a number of publications. We consider the response of pendulums in a symmetric sensor configuration to complex input motions including rotations, and the resultant triaxial system response. Possible implications of using symmetric sensor configuration in strong motion studies are discussed. Considering benefits of equal design of all three sensors in symmetric configuration, and as a result potentially lower cost of the three-component accelerograph, it may be useful for strong motion measurements not requiring high resolution post signal processing. The disadvantage of this configuration is that if

TOPS Report: Analysis of the TOPS Program from 2006-2015

ERIC Educational Resources Information Center

Louisiana Board of Regents, 2016

2016-01-01

The Tuition Opportunity Program for Students (subsequently renamed the Taylor Opportunity Program for Students, or TOPS) was created via ACT 1375 during the 1997 Regular Legislative Session. The first college freshman class to receive TOPS awards entered postsecondary education in the fall of 1998. ACT 1202 of the 2001 Regular Legislative Session…

Compressible flow about symmetrical Joukowski profiles

NASA Technical Reports Server (NTRS)

Kaplan, Carl

1938-01-01

The method of Poggi is employed for the determination of the effects of compressibility upon the flow past an obstacle. A general expression for the velocity increment due to compressibility is obtained. The general result holds whatever the shape of the obstacle; but, in order to obtain the complete solution, it is necessary to know a certain Fourier expansion of the square of the velocity of flow past the obstacle. An application is made to the case flow of a symmetrical Joukowski profile with a sharp trailing edge, fixed in a stream of an arbitrary angle of attack and with the circulation determined by the Kutta condition. The results are obtained in a closed form and are exact insofar as the second approximation to the compressible flow is concerned, the first approximation being the result for the corresponding incompressible flow. Formulas for lift and moment analogous to the Blasius formulas in incompressible flow are developed and are applied to thin symmetrical Joukowski profiles for small angles of attack.

Characterization of Generalized Young Measures Generated by Symmetric Gradients

NASA Astrophysics Data System (ADS)

De Philippis, Guido; Rindler, Filip

2017-06-01

This work establishes a characterization theorem for (generalized) Young measures generated by symmetric derivatives of functions of bounded deformation (BD) in the spirit of the classical Kinderlehrer-Pedregal theorem. Our result places such Young measures in duality with symmetric-quasiconvex functions with linear growth. The "local" proof strategy combines blow-up arguments with the singular structure theorem in BD (the analogue of Alberti's rank-one theorem in BV), which was recently proved by the authors. As an application of our characterization theorem we show how an atomic part in a BD-Young measure can be split off in generating sequences.

Parametric amplification and bidirectional invisibility in PT -symmetric time-Floquet systems

NASA Astrophysics Data System (ADS)

Koutserimpas, Theodoros T.; Alù, Andrea; Fleury, Romain

2018-01-01

Parity-time (PT )-symmetric wave devices, which exploit balanced interactions between material gain and loss, exhibit extraordinary properties, including lasing and flux-conserving scattering processes. In a seemingly different research field, periodically driven systems, also known as time-Floquet systems, have been widely studied as a relevant platform for reconfigurable active wave control and manipulation. In this article, we explore the connection between PT -symmetry and parametric time-Floquet systems. Instead of relying on material gain, we use parametric amplification by considering a time-periodic modulation of the refractive index at a frequency equal to twice the incident signal frequency. We show that the scattering from a simple parametric slab, whose dynamics follows the Mathieu equation, can be described by a PT -symmetric scattering matrix, whose PT -breaking threshold corresponds to the Mathieu instability threshold. By combining different parametric slabs modulated out of phase, we create PT -symmetric time-Floquet systems that feature exceptional scattering properties, such as coherent perfect absorption (CPA)-laser operation and bidirectional invisibility. These bidirectional properties, rare for regular PT -symmetric systems, are related to a compensation of parametric amplification due to multiple scattering between two parametric systems modulated with a phase difference.

Detection of symmetric homoclinic orbits to saddle-centres in reversible systems

NASA Astrophysics Data System (ADS)

Yagasaki, Kazuyuki; Wagenknecht, Thomas

2006-02-01

We present a perturbation technique for the detection of symmetric homoclinic orbits to saddle-centre equilibria in reversible systems of ordinary differential equations. We assume that the unperturbed system has primary, symmetric homoclinic orbits, which may be either isolated or appear in a family, and use an idea similar to that of Melnikov’s method to detect homoclinic orbits in their neighbourhood. This technique also allows us to identify bifurcations of unperturbed or perturbed, symmetric homoclinic orbits. Our technique is of importance in applications such as nonlinear optics and water waves since homoclinic orbits to saddle-centre equilibria describe embedded solitons (ESs) in systems of partial differential equations representing physical models, and except for special cases their existence has been previously studied only numerically using shooting methods and continuation techniques. We apply the general theory to two examples, a four-dimensional system describing ESs in nonlinear optical media and a six-dimensional system which can possess a one-parameter family of symmetric homoclinic orbits in the unperturbed case. For these examples, the analysis is compared with numerical computations and an excellent agreement between both results is found.

NASA Brevard Top Scholars

NASA Image and Video Library

2017-11-13

Top scholars from Brevard County public high schools participate in roundtable discussions with NASA engineers and scientists at the Public Engagement Center at Kennedy Space Center Visitor Complex in Florida. Top scholars from the high schools were invited to Kennedy Space Center for a tour of facilities, lunch and a roundtable discussion. The 2017-2018 Brevard Top Scholars event was hosted by the center's Education Projects and Youth Engagement office to honor the top three scholars of the graduating student class from each of Brevard County’s public high schools. The students received a personalized certificate at the end of the day.

Training Top 50.

ERIC Educational Resources Information Center

Training, 2001

2001-01-01

Identifies the top 50 companies in terms of the amount spent on training and development, the number of hours of training per employee, and percentage of payroll spent on training. Profiles the top five plus four additional companies selected by the magazine's editors. (SK)

New cancer diagnostics and therapeutics from a ninth 'hallmark of cancer': symmetric self-renewal by mutated distributed stem cells.

PubMed

Sherley, James L

2013-11-01

A total of eight cellular alterations associated with human carcinogenesis have been framed as the 'hallmarks of cancer'. This representation overlooks a ninth hallmark of cancer: the requirement for tumor-originating distributed stem cells to shift sufficiently from asymmetric to symmetric self-renewal kinetics for attainment of the high cell production rate necessary to form clinically significant tumors within a human lifespan. Overlooking this ninth hallmark costs opportunities for discovery of more selective molecular targets for development of improved cancer therapeutics and missing cancer stem cell biomarkers of greater specificity. Here, the biological basis for the ninth hallmark of cancer is considered toward highlighting its importance in human carcinogenesis and, as such, its potential for revealing unique molecules for targeting cancer diagnostics and therapeutics.

Top Quark Properties at Tevatron

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lysák, Roman

2017-11-27

The latest CDF and D0 experiment measurements of the top quark properties except the top quark mass are presented. The final combination of the CDF and D0 forward-backward asymmetry measurements is shown together with the D0 measurements of the inclusive top quark pair cross-section as well as the top quark polarization.

A preliminary assessment of the impact of 2-D exhaust-nozzle geometry on the cruise range of a hypersonic aircraft with top-mounted ramjet propulsion

NASA Technical Reports Server (NTRS)

Vahl, W. A.; Weidner, J. P.

1980-01-01

A theoretical study of full length and shortened, two dimensional, isentropic, exhaust nozzles integrated with top mounted ramjet propulsion nacelles were conducted. Both symmetric and asymmetric contoured nozzles with a range of angular orientations were considered. Performance comparisons to determine optimum installations for a representative hypersonic vehicle at Mach 5 cruise conditions are presented on the basis of cruise range, propulsive specific impulse, inlet area requirements, and overall lift drag ratio. The effect of approximating the nozzle internal contours with planar surfaces and the determination of viscous and frozen flow effects are also presented.

Symmetric quantum fully homomorphic encryption with perfect security

NASA Astrophysics Data System (ADS)

Liang, Min

2013-12-01

Suppose some data have been encrypted, can you compute with the data without decrypting them? This problem has been studied as homomorphic encryption and blind computing. We consider this problem in the context of quantum information processing, and present the definitions of quantum homomorphic encryption (QHE) and quantum fully homomorphic encryption (QFHE). Then, based on quantum one-time pad (QOTP), we construct a symmetric QFHE scheme, where the evaluate algorithm depends on the secret key. This scheme permits any unitary transformation on any -qubit state that has been encrypted. Compared with classical homomorphic encryption, the QFHE scheme has perfect security. Finally, we also construct a QOTP-based symmetric QHE scheme, where the evaluate algorithm is independent of the secret key.

Electron-molecule scattering in a strong laser field: Two-center interference effects

NASA Astrophysics Data System (ADS)

Dakić, J.; Habibović, D.; Čerkić, A.; Busuladžić, M.; Milošević, D. B.

2017-10-01

Laser-assisted scattering of electrons on diatomic molecules is considered using the S -matrix theory within the second Born approximation. The first term of the expansion in powers of the scattering potential corresponds to the direct or single laser-assisted scattering of electrons on molecular targets, while the second term of this expansion corresponds to the laser-assisted rescattering or double scattering. The rescattered electrons may have considerably higher energies in the final state than those that scattered only once. For multicenter polyatomic molecules scattering and rescattering may happen at any center and in any order. All these cases contribute to the scattering amplitude and the interference of different contributions leads to an increase or a decrease of the differential cross section in particular electron energy regions. For diatomic molecules there are two such contributions for single scattering and four contributions for double scattering. Analyzing the spectra of the scattered electrons, we find two interesting effects. For certain molecular orientations, the plateaus in the electron energy spectrum, characteristic of laser-assisted electron-atom scattering, are replaced by a sequence of gradually declining maxima, caused by the two-center interference effects. The second effect is the appearance of symmetric U -shaped structures in the angle-resolved energy spectra, which are described very well by the analytical formulas we provide.

Tourist Demand Reactions: Symmetric or Asymmetric across the Business Cycle?

PubMed Central

Bronner, Fred; de Hoog, Robert

2016-01-01

Economizing and spending priorities on different types of vacations are investigated during two periods: an economic downturn and returning prosperity. Two nation-wide samples of vacationers are used: one during a downturn, the other one at the start of the recovery period. Through comparing the results, conclusions can be drawn about symmetric or asymmetric tourist demand across the business cycle. The main summer holiday has an asymmetric profile: being fairly crisis-resistant during a recession and showing considerable growth during an expansion. This does not apply to short vacations and day trips, each having a symmetric profile: during a recession they experience substantial reductions and during expansion comparable growth. So when talking about tourist demand in general, one cannot say that it is symmetric or asymmetric across the business cycle: it depends on the type of vacation. Differences in tourist demand are best explained by the role of Quality-of-Life for vacationers. PMID:29278254

Tourist Demand Reactions: Symmetric or Asymmetric across the Business Cycle?

PubMed

Bronner, Fred; de Hoog, Robert

2017-09-01

Economizing and spending priorities on different types of vacations are investigated during two periods: an economic downturn and returning prosperity. Two nation-wide samples of vacationers are used: one during a downturn, the other one at the start of the recovery period. Through comparing the results, conclusions can be drawn about symmetric or asymmetric tourist demand across the business cycle. The main summer holiday has an asymmetric profile: being fairly crisis-resistant during a recession and showing considerable growth during an expansion. This does not apply to short vacations and day trips, each having a symmetric profile: during a recession they experience substantial reductions and during expansion comparable growth. So when talking about tourist demand in general , one cannot say that it is symmetric or asymmetric across the business cycle: it depends on the type of vacation. Differences in tourist demand are best explained by the role of Quality-of-Life for vacationers.

Analytical approximations for the oscillators with anti-symmetric quadratic nonlinearity

NASA Astrophysics Data System (ADS)

Alal Hosen, Md.; Chowdhury, M. S. H.; Yeakub Ali, Mohammad; Faris Ismail, Ahmad

2017-12-01

A second-order ordinary differential equation involving anti-symmetric quadratic nonlinearity changes sign. The behaviour of the oscillators with an anti-symmetric quadratic nonlinearity is assumed to oscillate different in the positive and negative directions. In this reason, Harmonic Balance Method (HBM) cannot be directly applied. The main purpose of the present paper is to propose an analytical approximation technique based on the HBM for obtaining approximate angular frequencies and the corresponding periodic solutions of the oscillators with anti-symmetric quadratic nonlinearity. After applying HBM, a set of complicated nonlinear algebraic equations is found. Analytical approach is not always fruitful for solving such kinds of nonlinear algebraic equations. In this article, two small parameters are found, for which the power series solution produces desired results. Moreover, the amplitude-frequency relationship has also been determined in a novel analytical way. The presented technique gives excellent results as compared with the corresponding numerical results and is better than the existing ones.

Phase behaviour of the symmetric binary mixture from thermodynamic perturbation theory.

PubMed

Dorsaz, N; Foffi, G

2010-03-17

We study the phase behaviour of symmetric binary mixtures of hard core Yukawa (HCY) particles via thermodynamic perturbation theory (TPT). We show that all the topologies of phase diagram reported for the symmetric binary mixtures are correctly reproduced within the TPT approach. In a second step we use the capability of TPT to be straightforwardly extended to mixtures that are nonsymmetric in size. Starting from mixtures that belong to the different topologies of symmetric binary mixtures we investigate the effect on the phase behaviour when an asymmetry in the diameters of the two components is introduced. Interestingly, when the energy of interaction between unlike particles is weaker than the interaction between like particles, the propensity for the solution to demix is found to increase strongly with size asymmetry.

Vibrational excitation and dissociative attachment of a triatomic molecule: CO/sub 2/ in the collinear approximation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wong, C.F.; Light, J.C.

1986-02-01

The effective R-matrix model and the R-matrix propagative method applied earlier to elec- tron--diatomic-molecule scattering are extended to treat dissociative attachment of collinear triatomic molecules. To describe the vibrational excitation and dissociative attachment of CO/sub 2/ in the 4-eV region, the nuclear dynamics is solved on a Wall-Porter potential-energy surface. A hybrid approach is developed in which the L/sup 2/ and R-matrix propagation methods are combined to evaluate the global R matrix. Our calculations show that it is easier to excite the symmetric mode vibrations than the asymmetric mode vibrations. Our results also show that the observed structures in themore » energy dependence of the dissociative attachment cross sections are due to the vibrational states of the negative ion (CO/sub 2/ /sup -/) and not to the vibrational states of the CO fragment.« less

NASA Brevard Top Scholars

NASA Image and Video Library

2017-11-13

Retired NASA astronaut Tom Jones is with top scholars from Brevard County public high schools in the Rocket Garden at the NASA Kennedy Space Center Visitor Complex in Florida. Top scholars from the high schools were invited to Kennedy Space Center for a tour of facilities, lunch and a roundtable discussion with engineers and scientists at the center. The 2017-2018 Brevard Top Scholars event was hosted by the center's Education Projects and Youth Engagement office to honor the top three scholars of the 2017-2018 graduating student class from each of Brevard County’s public high schools. They students received a personalized certificate at the end of the day.

The race to decipher the top secrets of TOP mRNAs.

PubMed

Meyuhas, Oded; Kahan, Tamar

2015-07-01

Cells encountering hostile growth conditions, like those residing in the middle of a newly developing solid tumor, conserve resources and energy by downregulating protein synthesis. One mechanism in this response is the translational repression of multiple mRNAs that encode components of the translational apparatus. This coordinated translational control is carried through a common cis-regulatory element, the 5' Terminal OligoPyrimidine motif (5'TOP), after which these mRNAs are referred to as TOP mRNAs. Subsequent to the initial structural and functional characterization of members of this family, the research of TOP mRNAs has progressed in three major directions: a) delineating the landscape of the family; b) establishing the pathways that transduce stress cues into selective translational repression; and c) attempting to decipher the most proximal trans-acting factor(s) and defining its mode of action--a repressor or activator. The present chapter critically reviews the development in these three avenues of research with a special emphasis on the two "top secrets" of the TOP mRNA family: the scope of its members and the identity of the proximal cellular regulator(s). This article is part of a Special Issue entitled: Translation and Cancer. Copyright © 2014 Elsevier B.V. All rights reserved.

Numerical evidences for the angular momentum-mass inequality for multiple axially symmetric black holes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dain, Sergio; Ortiz, Omar E.; Facultad de Matematica, Astronomia y Fisica, Universidad Nacional de Cordoba, Ciudad Universitaria

2009-07-15

We present numerical evidences for the validity of the inequality between the total mass and the total angular momentum for multiple axially symmetric (nonstationary) black holes. We use a parabolic heat flow to solve numerically the stationary axially symmetric Einstein equations. As a by-product of our method, we also give numerical evidences that there are no regular solutions of Einstein equations that describe two extreme, axially symmetric black holes in equilibrium.

Recent advances in small molecule OLED-on-silicon microdisplays

NASA Astrophysics Data System (ADS)

Ghosh, Amalkumar P.; Ali, Tariq A.; Khayrullin, Ilyas; Vazan, Fridrich; Prache, Olivier F.; Wacyk, Ihor

2009-08-01

High resolution OLED-on-silicon microdisplay technology is unique and challenging since it requires very small subpixel dimensions (~ 2-5 microns). eMagin's OLED microdisplay is based on white top emitter architecture using small molecule organic materials. The devices are fabricated using high Tg materials. The devices are hermetically sealed with vacuum deposited thin film layers. LCD-type color filters are patterned using photolithography methods to generate primary R, G, B colors. Results of recent improvements in the OLED-on-silicon microdisplay technology, with emphasis on efficiencies, lifetimes, grey scale and CIE color coordinates for SVGA and SXGA resolution microdisplays is presented.

Torsion-inversion tunneling patterns in the CH-stretch vibrationally excited states of the G12 family of molecules including methylamine.

PubMed

Dawadi, Mahesh B; Bhatta, Ram S; Perry, David S

2013-12-19

Two torsion-inversion tunneling models (models I and II) are reported for the CH-stretch vibrationally excited states in the G12 family of molecules. The torsion and inversion tunneling parameters, h(2v) and h(3v), respectively, are combined with low-order coupling terms involving the CH-stretch vibrations. Model I is a group theoretical treatment starting from the symmetric rotor methyl CH-stretch vibrations; model II is an internal coordinate model including the local-local CH-stretch coupling. Each model yields predicted torsion-inversion tunneling patterns of the four symmetry species, A, B, E1, and E2, in the CH-stretch excited states. Although the predicted tunneling patterns for the symmetric CH-stretch excited state are the same as for the ground state, inverted tunneling patterns are predicted for the asymmetric CH-stretches. The qualitative tunneling patterns predicted are independent of the model type and of the particular coupling terms considered. In model I, the magnitudes of the tunneling splittings in the two asymmetric CH-stretch excited states are equal to half of that in the ground state, but in model II, they differ when the tunneling rate is fast. The model predictions are compared across the series of molecules methanol, methylamine, 2-methylmalonaldehyde, and 5-methyltropolone and to the available experimental data.

Maximally Symmetric Composite Higgs Models.

PubMed

Csáki, Csaba; Ma, Teng; Shu, Jing

2017-09-29

Maximal symmetry is a novel tool for composite pseudo Goldstone boson Higgs models: it is a remnant of an enhanced global symmetry of the composite fermion sector involving a twisting with the Higgs field. Maximal symmetry has far-reaching consequences: it ensures that the Higgs potential is finite and fully calculable, and also minimizes the tuning. We present a detailed analysis of the maximally symmetric SO(5)/SO(4) model and comment on its observational consequences.

Small Molecule Inhibitors Target the Tissue Transglutaminase and Fibronectin Interaction

PubMed Central

Yakubov, Bakhtiyor; Chen, Lan; Belkin, Alexey M.; Zhang, Sheng; Chelladurai, Bhadrani; Zhang, Zhong-Yin; Matei, Daniela

2014-01-01

Tissue transglutaminase (TG2) mediates protein crosslinking through generation of ε−(γ-glutamyl) lysine isopeptide bonds and promotes cell adhesion through interaction with fibronectin (FN) and integrins. Cell adhesion to the peritoneal matrix regulated by TG2 facilitates ovarian cancer dissemination. Therefore, disruption of the TG2-FN complex by small molecules may inhibit cell adhesion and metastasis. A novel high throughput screening (HTS) assay based on AlphaLISA™ technology was developed to measure the formation of a complex between His-TG2 and the biotinylated FN fragment that binds TG2 and to discover small molecules that inhibit this protein-protein interaction. Several hits were identified from 10,000 compounds screened. The top candidates selected based on >70% inhibition of the TG2/FN complex formation were confirmed by using ELISA and bioassays measuring cell adhesion, migration, invasion, and proliferation. In conclusion, the AlphaLISA bead format assay measuring the TG2-FN interaction is robust and suitable for HTS of small molecules. One compound identified from the screen (TG53) potently inhibited ovarian cancer cell adhesion to FN, cell migration, and invasion and could be further developed as a potential inhibitor for ovarian cancer dissemination. PMID:24586660

Holographic measurement of wave propagation in axi-symmetric shells

NASA Technical Reports Server (NTRS)

Evensen, D. A.; Aprahamian, R.; Jacoby, J. L.

1972-01-01

The report deals with the use of pulsed, double-exposure holographic interferometry to record the propagation of transverse waves in thin-walled axi-symmetric shells. The report is subdivided into sections dealing with: (1) wave propagation in circular cylindrical shells, (2) wave propagation past cut-outs and stiffeners, and (3) wave propagation in conical shells. Several interferograms are presented herein which show the waves reflecting from the shell boundaries, from cut-outs, and from stiffening rings. The initial response of the shell was nearly axi-symmetric in all cases, but nonsymmetric modes soon appeared in the radial response. This result suggests that the axi-symmetric response of the shell may be dynamically unstable, and thus may preferentially excite certain circumferential harmonics through parametric excitation. Attempts were made throughout to correlate the experimental data with analysis. For the most part, good agreement between theory and experiment was obtained. Occasional differences were attributed primarily to simplifying assumptions used in the analysis. From the standpoint of engineering applications, it is clear that pulsed laser holography can be used to obtain quantitative engineering data. Areas of dynamic stress concentration, stress concentration factors, local anomalies, etc., can be readily determined by holography.

Comparison of the effects of symmetric and asymmetric temperature elevation and CO2 enrichment on yield and evapotranspiration of winter wheat (Triticum aestivum L.)

PubMed Central

Qiao, Yunzhou; Liu, Huiling; Kellomäki, Seppo; Peltola, Heli; Liu, Yueyan; Dong, Baodi; Shi, Changhai; Zhang, Huizhen; Zhang, Chao; Gong, Jinnan; Si, Fuyan; Li, Dongxiao; Zheng, Xin; Liu, Mengyu

2014-01-01

Under the changing climate, asymmetric warming pattern would be more likely during day and night time, instead of symmetric one. Concurrently, the growth responses and water use of plants may be different compared with those estimated based on symmetric warming. In this work, it was compared with the effects of symmetric (ETs) and asymmetric (ETa) elevation of temperature alone, and in interaction with elevated carbon dioxide concentration (EC), on the grain yield (GY) and evapotranspiration in winter wheat (Triticum aestivum L.) based on pot experiment in the North China Plain (NCP). The experiment was carried out in six enclosed-top chambers with following climate treatments: (1) ambient temperature and ambient CO2 (CON), (2) ambient temperature and elevated CO2 (EC), (3) elevated temperature and ambient CO2 (ETs; ETa), and (4) elevated temperature and elevated CO2 (ECETs, ECETa). In symmetric warming, temperature was increased by 3°C and in asymmetric one by 3.5°C during night and 2.5°C during daytime, respectively. As a result, GY was in ETa and ETs 15.6 (P < 0.05) and 10.3% (P < 0.05) lower than that in CON. In ECETs and ECETa treatments, GY was 14.9 (P < 0.05) and 9.1% (P < 0.05) higher than that in CON. Opposite to GY, evapotranspiration was 7.8 (P < 0.05) and 17.9% (P < 0.05) higher in ETa and ETs treatments and 7.2 (P < 0.05) and 2.1% (P > 0.05) lower in ECETs and ECETa treatments compared with CON. Thus, GY of wheat could be expected to increase under the changing climate with concurrent elevation of CO2 and temperature as a result of increased WUE under the elevated CO2. However, the gain would be lower under ETa than that estimated based on ETs due to higher evapotranspiration. PMID:24963392

Optimality and stability of symmetric evolutionary games with applications in genetic selection.

PubMed

Huang, Yuanyuan; Hao, Yiping; Wang, Min; Zhou, Wen; Wu, Zhijun

2015-06-01

Symmetric evolutionary games, i.e., evolutionary games with symmetric fitness matrices, have important applications in population genetics, where they can be used to model for example the selection and evolution of the genotypes of a given population. In this paper, we review the theory for obtaining optimal and stable strategies for symmetric evolutionary games, and provide some new proofs and computational methods. In particular, we review the relationship between the symmetric evolutionary game and the generalized knapsack problem, and discuss the first and second order necessary and sufficient conditions that can be derived from this relationship for testing the optimality and stability of the strategies. Some of the conditions are given in different forms from those in previous work and can be verified more efficiently. We also derive more efficient computational methods for the evaluation of the conditions than conventional approaches. We demonstrate how these conditions can be applied to justifying the strategies and their stabilities for a special class of genetic selection games including some in the study of genetic disorders.

Entanglement classes of symmetric Werner states

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lyons, David W.; Walck, Scott N.

2011-10-15

The symmetric Werner states for n qubits, important in the study of quantum nonlocality and useful for applications in quantum information, have a surprisingly simple and elegant structure in terms of tensor products of Pauli matrices. Further, each of these states forms a unique local unitary equivalence class, that is, no two of these states are interconvertible by local unitary operations.

Fault-tolerant symmetrically-private information retrieval

NASA Astrophysics Data System (ADS)

Wang, Tian-Yin; Cai, Xiao-Qiu; Zhang, Rui-Ling

2016-08-01

We propose two symmetrically-private information retrieval protocols based on quantum key distribution, which provide a good degree of database and user privacy while being flexible, loss-resistant and easily generalized to a large database similar to the precedent works. Furthermore, one protocol is robust to a collective-dephasing noise, and the other is robust to a collective-rotation noise.

Ultrathin reduced graphene oxide films as transparent top-contacts for light switchable solid-state molecular junctions.

PubMed

Li, Tao; Jevric, Martyn; Hauptmann, Jonas R; Hviid, Rune; Wei, Zhongming; Wang, Rui; Reeler, Nini E A; Thyrhaug, Erling; Petersen, Søren; Meyer, Jakob A S; Bovet, Nicolas; Vosch, Tom; Nygård, Jesper; Qiu, Xiaohui; Hu, Wenping; Liu, Yunqi; Solomon, Gemma C; Kjaergaard, Henrik G; Bjørnholm, Thomas; Nielsen, Mogens Brøndsted; Laursen, Bo W; Nørgaard, Kasper

2013-08-14

A new type of solid-state molecular junction is introduced, which employs reduced graphene oxide as a transparent top contact that permits a self-assembled molecular monolayer to be photoswitched in situ, while simultaneously enabling charge-transport measurements across the molecules. The electrical switching behavior of a less-studied molecular switch, dihydroazulene/vinylheptafulvene, is described, which is used as a test case. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Top-down models in biology: explanation and control of complex living systems above the molecular level.

PubMed

Pezzulo, Giovanni; Levin, Michael

2016-11-01

It is widely assumed in developmental biology and bioengineering that optimal understanding and control of complex living systems follows from models of molecular events. The success of reductionism has overshadowed attempts at top-down models and control policies in biological systems. However, other fields, including physics, engineering and neuroscience, have successfully used the explanations and models at higher levels of organization, including least-action principles in physics and control-theoretic models in computational neuroscience. Exploiting the dynamic regulation of pattern formation in embryogenesis and regeneration requires new approaches to understand how cells cooperate towards large-scale anatomical goal states. Here, we argue that top-down models of pattern homeostasis serve as proof of principle for extending the current paradigm beyond emergence and molecule-level rules. We define top-down control in a biological context, discuss the examples of how cognitive neuroscience and physics exploit these strategies, and illustrate areas in which they may offer significant advantages as complements to the mainstream paradigm. By targeting system controls at multiple levels of organization and demystifying goal-directed (cybernetic) processes, top-down strategies represent a roadmap for using the deep insights of other fields for transformative advances in regenerative medicine and systems bioengineering. © 2016 The Author(s).

Top-down models in biology: explanation and control of complex living systems above the molecular level

PubMed Central

2016-01-01

It is widely assumed in developmental biology and bioengineering that optimal understanding and control of complex living systems follows from models of molecular events. The success of reductionism has overshadowed attempts at top-down models and control policies in biological systems. However, other fields, including physics, engineering and neuroscience, have successfully used the explanations and models at higher levels of organization, including least-action principles in physics and control-theoretic models in computational neuroscience. Exploiting the dynamic regulation of pattern formation in embryogenesis and regeneration requires new approaches to understand how cells cooperate towards large-scale anatomical goal states. Here, we argue that top-down models of pattern homeostasis serve as proof of principle for extending the current paradigm beyond emergence and molecule-level rules. We define top-down control in a biological context, discuss the examples of how cognitive neuroscience and physics exploit these strategies, and illustrate areas in which they may offer significant advantages as complements to the mainstream paradigm. By targeting system controls at multiple levels of organization and demystifying goal-directed (cybernetic) processes, top-down strategies represent a roadmap for using the deep insights of other fields for transformative advances in regenerative medicine and systems bioengineering. PMID:27807271

Unidirectional invisibility induced by parity-time symmetric circuit

NASA Astrophysics Data System (ADS)

Lv, Bo; Fu, Jiahui; Wu, Bian; Li, Rujiang; Zeng, Qingsheng; Yin, Xinhua; Wu, Qun; Gao, Lei; Chen, Wan; Wang, Zhefei; Liang, Zhiming; Li, Ao; Ma, Ruyu

2017-01-01

Parity-time (PT) symmetric structures present the unidirectional invisibility at the spontaneous PT-symmetry breaking point. In this paper, we propose a PT-symmetric circuit consisting of a resistor and a microwave tunnel diode (TD) which represent the attenuation and amplification, respectively. Based on the scattering matrix method, the circuit can exhibit an ideal unidirectional performance at the spontaneous PT-symmetry breaking point by tuning the transmission lines between the lumped elements. Additionally, the resistance of the reactance component can alter the bandwidth of the unidirectional invisibility flexibly. Furthermore, the electromagnetic simulation for the proposed circuit validates the unidirectional invisibility and the synchronization with the input energy well. Our work not only provides an unidirectional invisible circuit based on PT-symmetry, but also proposes a potential solution for the extremely selective filter or cloaking applications.

Modeling multi-nucleon transfer in symmetric collisions of massive nuclei

DOE Office of Scientific and Technical Information (OSTI.GOV)

Welsh, T.; Loveland, W.; Yanez, R.

Symmetric collisions of massive nuclei, such as U-238 + Cm-248, have been proposed as ways to make new n-rich heavy nuclei via multi-nucleon transfer (MNT) reactions. We have measured the yields of several projectile-like and target-like fragments from the reaction of 1360 MeV Hg-204 + Pt-198. We find that current models for this symmetric collision (GRAZING, DNS, ImQMD) significantly underestimate the yields of these transfer products, even for small transfers. (C) 2017 The Author(s). Published by Elsevier B.V.

Optical realization of optimal symmetric real state quantum cloning machine

NASA Astrophysics Data System (ADS)

Hu, Gui-Yu; Zhang, Wen-Hai; Ye, Liu

2010-01-01

We present an experimentally uniform linear optical scheme to implement the optimal 1→2 symmetric and optimal 1→3 symmetric economical real state quantum cloning machine of the polarization state of the single photon. This scheme requires single-photon sources and two-photon polarization entangled state as input states. It also involves linear optical elements and three-photon coincidence. Then we consider the realistic realization of the scheme by using the parametric down-conversion as photon resources. It is shown that under certain condition, the scheme is feasible by current experimental technology.

Migratory resonances and Wigner timers in the photoionization of fullerene class of molecules

NASA Astrophysics Data System (ADS)

Chakraborty, Himadri

2017-04-01

Empty fullerenes and atom-encaging endofullerenes are quintessential symmetric molecules exhibiting near stability in the room temperature. This property endows them with the quality to be tested for spectroscopic information otherwise inaccessible with regular atoms and molecules. Probing the response of fullerenes and endofullerenes to electromagnetic radiations is one classic way to accomplish this. Conventional spectroscopy of determining the photoelectron count and kinetic energy, as the frequency of the incoming photons varies, predicts varieties of resonances for such molecules. These resonances fundamentally originate from either the correlated electronic motions leading to plasmons or from the molecule's structural symmetry inducing diffractions or even from the mixing of both these effects in tandem. A particularly exotic class of these resonances, which will be emphasized in the talk, includes photoexcitation at one site of the molecule but its subsequent decay at a different location, as well as a coherent admixture of this mechanism with localized Auger processes. The other part of the talk will be devoted to connect to a more contemporary form of spectroscopy by evaluating the time-of-flight of the photoelectron, starting from its production at the molecule to the detector. This utilizes a Wigner clock based on the knowledge of energy-dependent photoelectron quantum phase. It will be shown that the information that can be obtained from the knowledge of this time is often consistent with the underlying electron correlative dynamics, both at the energy region of the giant plasmon resonance and at the generic Cooper-type minima (or anti-resonances). A selection of the results will be presented which are computed by the density functional approximation. The ground state of the molecule is described in a local density approximation (LDA) framework with accurate exchange correlation potential. And a linear-response variant of LDA (TDLDA) is utilized to

Training Top 125

ERIC Educational Resources Information Center

Training, 2011

2011-01-01

Top companies realize how vital training is to their success and continue to invest in it, even in trying times. This article presents "Training" magazine's 11th annual ranking of the top companies with employee-sponsored workforce training and development. First-time No. 1 winner Farmers Insurance puts such a premium on learning that its new…

Training Top 125

ERIC Educational Resources Information Center

Training, 2012

2012-01-01

The best learning and development organizations support business initiatives tactically "and" help drive strategic change. Verizon did just that, earning it the No. 1 spot for the first time on the Training Top 125. Verizon and the other 2012 Top 125 winners continued to invest in training, collectively dedicating a mean of 4.52 percent of their…

Top quark studies at hadron colliders

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sinervo, P.K.

1997-01-01

The techniques used to study top quarks at hadron colliders are presented. The analyses that discovered the top quark are described, with emphasis on the techniques used to tag b quark jets in candidate events. The most recent measurements of top quark properties by the CDF and DO Collaborations are reviewed, including the top quark cross section, mass, branching fractions, and production properties. Future top quark studies at hadron colliders are discussed, and predictions for event yields and uncertainties in the measurements of top quark properties are presented.

Symmetric Missile Dynamic Instabilities - A Review

DTIC Science & Technology

1980-03-01

and a Magnus side moment must be added to the total aerodynamic moment. Since statically stable missiles are usually spun to reduce the effect of...Identify by block~ numbef) Symmetric Missile Roil Moment Resonance Spin Dynamic Stability Side Moment Damxping Moment Trim Moment Magnus Moment Moving...dlamping moments for nonspin- ning re-entry vehicles, nonlinear Magnus moments for spinning missiles, and internal resonances with moving payload

Focusing optical waves with a rotationally symmetric sharp-edge aperture

NASA Astrophysics Data System (ADS)

Hu, Yanwen; Fu, Shenhe; Li, Zhen; Yin, Hao; Zhou, Jianying; Chen, Zhenqiang

2018-04-01

While there has been various kinds of patterned structures proposed for wave focusing, these patterned structures usually involve complicated lithographic techniques since the element size of the patterned structures should be precisely controlled in microscale or even nanoscale. Here we propose a new and straightforward method for focusing an optical plane wave in free space with a rotationally symmetric sharp-edge aperture. The focusing phenomenon of wave is realized by superposition of a portion of the higher-order symmetric plane waves generated from the sharp edges of the apertures, in contrast to previously focusing techniques which usually depend on a curved phase. We demonstrate both experimentally and theoretically the focusing effect with a series of apertures having different rotational symmetry, and find that the intensity of the hotspots could be controlled by the symmetric strength of the sharp-edge apertures. The presented results would advance the conventional wisdom that light would diffract in all directions and become expanding when it propagates through an aperture. The proposed method is easy to be processed, and might open potential applications in interferometry, image, and superresolution.

Symmetric/Asymmetrical SIRs Dual-Band BPF Design for WLAN Applications

NASA Astrophysics Data System (ADS)

Ho, Min-Hua; Ho, Hao-Hung; Chen, Mingchih

This paper presents the dual-band bandpass filters (BPFs) design composed of λ/2 and symmetrically/asymmetrically paired λ/4 stepped impedance resonators (SIRs) for the WLAN applications. The filters cover both the operating frequencies of 2.45 and 5.2GHz. The dual-coupling mechanism is used in the filter design to provide alternative routes for signals of selected frequencies. A prototype filter is composed of λ/2 and symmetrical λ/4 SIRs. The enhanced wide-stopband filter is then developed from the filter with the symmetrical λ/4 SIRs replaced by the asymmetrical ones. The asymmetrical λ/4 SIRs have their higher resonances frequencies isolated from the adjacent I/O SIRs and extend the enhanced filter an upper stopband limit beyond ten time the fundamental frequency. Also, the filter might possess a cross-coupling structure which introduces transmission zeros by the passband edges to improve the signal selectivity. The tapped-line feed is adopted in this circuit to create additional attenuation poles for improving the stopband rejection levels. Experiments are conducted to verify the circuit performance.

X-ray structural investigation of nonsymmetrically and symmetrically alkylated [1]benzothieno[3,2-b]benzothiophene derivatives in bulk and thin films.

PubMed

Gbabode, Gabin; Dohr, Michael; Niebel, Claude; Balandier, Jean-Yves; Ruzié, Christian; Négrier, Philippe; Mondieig, Denise; Geerts, Yves H; Resel, Roland; Sferrazza, Michele

2014-08-27

A detailed structural study of the bulk and thin film phases observed for two potential high-performance organic semiconductors has been carried out. The molecules are based on [1]benzothieno[3,2-b]benzothiophene (BTBT) as conjugated core and octyl side groups, which are anchored either symmetrically at both sides of the BTBT core (C8-BTBT-C8) or nonsymmetrically at one side only (C8-BTBT). Thin films of different thickness (8-85 nm) have been prepared by spin-coating for both systems and analyzed by combining specular and grazing incidence X-ray diffraction. In the case of C8-BTBT-C8, the known crystal structure obtained from single-crystal investigations is observed within all thin films, down to a film thickness of 9 nm. In the case of C8-BTBT, the crystal structure of the bulk phase has been determined from X-ray powder diffraction data with a consistent matching of experimental and calculated X-ray diffraction patterns (Rwp = 5.8%). The packing arrangement of C8-BTBT is similar to that of C8-BTBT-C8, that is, consisting of a lamellar structure with molecules arranged in a "herringbone" fashion, yet with lamellae composed of two head-to-head (or tail-to-tail as the structure is periodic) superimposed molecules instead of only one molecule for C8-BTBT-C8. As for C8-BTBT-C8, we demonstrate that the same phase is observed in bulk and thin films for C8-BTBT whatever the film thickness investigated.

Charge transport with single molecules--an electrochemical approach.

PubMed

Li, Chen; Mishchenko, Artem; Pobelov, Ilya; Wandlowski, Thomas

2010-01-01

After an introduction and brief review of charge transport in nanoscale molecular systems we report on experimental studies in gold / (single) molecule / gold junctions at solid / liquid interfaces employing a scanning tunneling microscopy (STM)-based 'break junction' technique. We demonstrate attempts in developing basic relationships between molecular structure, conductance properties and nanoscale electrochemical concepts based on four case studies from our own work. In experiments with alpha, omega-alkanedithiol and biphenyldithiol molecular junctions we address the role of sulfur-gold couplings and molecular conformation, such as gauche defects in the alkyl chains and the torsion angle between two phenyl rings. Combination with quantum chemistry calculations enabled a detailed molecular-level understanding of the electronic structure and transport characteristics of both systems. Employing the concept of 'electrolyte gating' with redox-active molecules, such as thiol-terminated derivatives of viologens (HS-6V6-SH or (HS-6V6)) we demonstrate the construction of symmetric and asymmetric active molecular junctions with transistor- or diode-like behavior upon polarization in an electrochemical environment. The experimental data could be represented quantitatively by the Kutznetsov/Ulstrup model assuming a two-step electron transfer with partial vibration relaxation. Finally, we show that surface-immobilized gold nanoparticles with a diameter of (2.4 +/- 0.5) nm exhibit features of locally addressable multi-state electronic switching upon electrolyte gating, which appears to be reminiscent of a sequential charging through several 'oxidation/reduction states'.

A non-symmetric Yang-Baxter algebra for the quantum nonlinear Schrödinger model

NASA Astrophysics Data System (ADS)

Vlaar, Bart

2013-06-01

We study certain non-symmetric wavefunctions associated with the quantum nonlinear Schrödinger model, introduced by Komori and Hikami using Gutkin’s propagation operator, which involves representations of the degenerate affine Hecke algebra. We highlight how these functions can be generated using a vertex-type operator formalism similar to the recursion defining the symmetric (Bethe) wavefunction in the quantum inverse scattering method. Furthermore, some of the commutation relations encoded in the Yang-Baxter equation for the relevant monodromy matrix are generalized to the non-symmetric case.

Symmetrical and overloaded effect of diffusion in information filtering

NASA Astrophysics Data System (ADS)

Zhu, Xuzhen; Tian, Hui; Chen, Guilin; Cai, Shimin

2017-10-01

In physical dynamics, mass diffusion theory has been applied to design effective information filtering models on bipartite network. In previous works, researchers unilaterally believe objects' similarities are determined by single directional mass diffusion from the collected object to the uncollected, meanwhile, inadvertently ignore adverse influence of diffusion overload. It in some extent veils the essence of diffusion in physical dynamics and hurts the recommendation accuracy and diversity. After delicate investigation, we argue that symmetrical diffusion effectively discloses essence of mass diffusion, and high diffusion overload should be published. Accordingly, in this paper, we propose an symmetrical and overload penalized diffusion based model (SOPD), which shows excellent performances in extensive experiments on benchmark datasets Movielens and Netflix.

The closo-Si{sub 12}C{sub 12} molecule from cluster to crystal: A theoretical prediction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Duan, Xiaofeng F., E-mail: xiaofeng.duan@wpafb.af.mil, E-mail: larry.burggraf@us.af.mil; Air Force Institute of Technology, Wright-Patterson Air Force Base, Ohio 45433; Burggraf, Larry W., E-mail: xiaofeng.duan@wpafb.af.mil, E-mail: larry.burggraf@us.af.mil

2016-03-21

The structure of closo-Si{sub 12}C{sub 12} is unique among stable Si{sub n}C{sub m} isomers (n, m > 4) because of its high symmetry, π–π stacking of C{sub 6} rings and unsaturated silicon atoms at symmetrical peripheral positions. Dimerization potential surfaces reveal various dimerization reactions that form between two closo-Si{sub 12}C{sub 12} molecules through Si–Si bonds at unsaturated Si atoms. As a result the closo-Si{sub 12}C{sub 12} molecule is capable of polymerization to form stable 1D polymer chains, 2D crystal layers, and 3D crystals. 2D crystal structures formed by side-side polymerization satisfy eight Si valences on each monomer without large distortionmore » of the monomer structure. 3D crystals are formed by stacking 2D structures in the Z direction, preserving registry of C{sub 6} rings in monomer moiety.« less

Symmetric redox supercapacitor based on micro-fabrication with three-dimensional polypyrrole electrodes

NASA Astrophysics Data System (ADS)

Sun, Wei; Zheng, Ruilin; Chen, Xuyuan

To achieve higher energy density and power density, we have designed and fabricated a symmetric redox supercapacitor based on microelectromechanical system (MEMS) technologies. The supercapacitor consists of a three-dimensional (3D) microstructure on silicon substrate micromachined by high-aspect-ratio deep reactive ion etching (DRIE) method, two sputtered Ti current collectors and two electrochemical polymerized polypyrrole (PPy) films as electrodes. Electrochemical tests, including cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS) and galvanostatical charge/discharge methods have been carried out on the single PPy electrodes and the symmetric supercapacitor in different electrolytes. The specific capacitance (capacitance per unit footprint area) and specific power (power per unit footprint area) of the PPy electrodes and symmetric supercapacitor can be calculated from the electrochemical test data. It is found that NaCl solution is a good electrolyte for the polymerized PPy electrodes. In NaCl electrolyte, single PPy electrodes exhibit 0.128 F cm -2 specific capacitance and 1.28 mW cm -2 specific power at 20 mV s -1 scan rate. The symmetric supercapacitor presents 0.056 F cm -2 specific capacitance and 0.56 mW cm -2 specific power at 20 mV s -1 scan rate.

First principles study of hydrogen bond symmetrization in δ-AlOOH

NASA Astrophysics Data System (ADS)

Pillai, Sharad Babu; Jha, Prafulla K.; Padmalal, Akash; Maurya, D. M.; Chamyal, L. S.

2018-03-01

The high pressure behaviour of the hydrous mineral δ-AlOOH has been investigated by many experimental and theoretical studies, but the discrepancy in predicting the value of hydrogen symmetrization pressure was not resolved. Here, we investigated the high pressure behaviour of δ-AlOOH using first principles calculations and found that with proper optimization using pressure routine control, local density approximation (LDA) predicts the hydrogen symmetrization pressure as 15 GPa which is in good agreement with the experimentally predicted value which resolves the existing discrepancy and hence proving the validity of LDA in predicting the hydrogen symmetrization pressure. We further studied the compressibility behaviour of δ-AlOOH at low pressures and confirmed the P21nm to Pnnm transition of δ-AlOOH shown by the experimental work [Kuribayashi et al., Phys. Chem. Miner. 41, 303-312 (2014)]. We have also analysed the dependence of elastic constants, elastic moduli, sound velocities, and Raman spectrum of δ-AlOOH with pressure and found that a subtle change in the position of the hydrogen atom at hydrogen symmetrization pressure results into drastic changes in elastic and vibrational properties. Further, this study has been used to discuss the seismic anomalies observed in the upper mantle beneath the Deccan Volcanic Province in India and the Java subduction zone in the eastern flank of the Indian Ocean.

Reorientation of the ‘free OH’ group in the top-most layer of air/water interface of sodium fluoride aqueous solution probed with sum-frequency generation vibrational spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Feng, Ran-Ran; Guo, Yuan; Wang, Hongfei

2014-09-17

Many experimental and theoretical studies have established the specific anion, as well as cation effects on the hydrogen-bond structures at the air/water interface of electrolyte solutions. However, the ion effects on the top-most layer of the air/water interface, which is signified by the non-hydrogen-bonded so-called ‘free O-H’ group, has not been discussed or studied. In this report, we present the measurement of changes of the orientational angle of the ‘free O-H’ group at the air/water interface of the sodium fluoride (NaF) solutions at different concentrations using the interface selective sum-frequency generation vibrational spectroscopy (SFG-VS) in the ssp and ppp polarizations.more » The polarization dependent SFG-VS results show that the average tilt angle of the ‘free O-H’ changes from about 35.3 degrees ± 0.5 degrees to 43.4 degrees ± 2.1degrees as the NaF concentration increase from 0 to 0.94M (nearly saturated). Such tilt angle change is around the axis of the other O-H group of the same water molecule at the top-most layer at the air/water interface that is hydrogen-bonded to the water molecules below the top-most layer. These results provide quantitative molecular details of the ion effects of the NaF salt on the structure of the water molecules at the top-most layer of the air/water interfacial, even though both the Na+ cation and the F- anion are believed to be among the most excluded ions from the air/water interface.« less

The deuterium puzzle in the symmetric universe

NASA Technical Reports Server (NTRS)

Leroy, B.; Nicolle, J. P.; Schatzman, E.

1973-01-01

An attempt was made to use deuterium abundance in the symmetric universe to prove that no nucleosynthesis takes place during annihilation and therefore neutrons were loss before nucleosynthesis. Data cover nucleosynthesis during the radiative era, cross section estimates, maximum abundance of He-4 at the end of nucleosynthesis area, and loss rate.

Backward and forward plasmons in symmetric structures

NASA Astrophysics Data System (ADS)

Davidovich, Mikhael V.

2018-04-01

The electric and magnetic surface plasmons in symmetric structures of metallic and dielectric layers are considered. The existence of backward and forward waves and the slow and fast plasmon-polaritons are obtained. It is shown that the anomalous negative dispersion in the structures with dissipation does not necessarily indicate the backward surface plasmons.

Screw-symmetric gravitational waves: A double copy of the vortex

NASA Astrophysics Data System (ADS)

Ilderton, A.

2018-07-01

Plane gravitational waves can admit a sixth 'screw' isometry beyond the usual five. The same is true of plane electromagnetic waves. From the point of view of integrable systems, a sixth isometry would appear to over-constrain particle dynamics in such waves; we show here, though, that no effect of the sixth isometry is independent of those from the usual five. Many properties of particle dynamics in a screw-symmetric gravitational wave are also seen in a (non-plane-wave) electromagnetic vortex; we make this connection explicit, showing that the screw-symmetric gravitational wave is the classical double copy of the vortex.

Affine Kac-Moody symmetric spaces related with A1^{(1)}, A2^{(1)},} A2^{(2)}

NASA Astrophysics Data System (ADS)

Nayak, Saudamini; Pati, K. C.

2014-08-01

Symmetric spaces associated with Lie algebras and Lie groups which are Riemannian manifolds have recently got a lot of attention in various branches of Physics for their role in classical/quantum integrable systems, transport phenomena, etc. Their infinite dimensional counter parts have recently been discovered which are affine Kac-Moody symmetric spaces. In this paper we have (algebraically) explicitly computed the affine Kac-Moody symmetric spaces associated with affine Kac-Moody algebras A1^{(1)}, A2^{(1)}, A2^{(2)}. We hope these types of spaces will play similar roles as that of symmetric spaces in many physical systems.

Curly Top Disease of Tomato

USDA-ARS?s Scientific Manuscript database

Curly top disease, caused by viruses in the genus, Curtovirus, has impacted western US agriculture for over a century; and is a significant threat to tomato production. The two most abundant curtovirus species today are Beet severe curly top virus (BSCTV) and Beet mild curly top virus (BMCTV) but ot...

Symmetric Stream Cipher using Triple Transposition Key Method and Base64 Algorithm for Security Improvement

NASA Astrophysics Data System (ADS)

Nurdiyanto, Heri; Rahim, Robbi; Wulan, Nur

2017-12-01

Symmetric type cryptography algorithm is known many weaknesses in encryption process compared with asymmetric type algorithm, symmetric stream cipher are algorithm that works on XOR process between plaintext and key, to improve the security of symmetric stream cipher algorithm done improvisation by using Triple Transposition Key which developed from Transposition Cipher and also use Base64 algorithm for encryption ending process, and from experiment the ciphertext that produced good enough and very random.

Time-invariant PT product and phase locking in PT -symmetric lattice models

NASA Astrophysics Data System (ADS)

Joglekar, Yogesh N.; Onanga, Franck Assogba; Harter, Andrew K.

2018-01-01

Over the past decade, non-Hermitian, PT -symmetric Hamiltonians have been investigated as candidates for both a fundamental, unitary, quantum theory and open systems with a nonunitary time evolution. In this paper, we investigate the implications of the former approach in the context of the latter. Motivated by the invariance of the PT (inner) product under time evolution, we discuss the dynamics of wave-function phases in a wide range of PT -symmetric lattice models. In particular, we numerically show that, starting with a random initial state, a universal, gain-site location dependent locking between wave-function phases at adjacent sites occurs in the PT -symmetry-broken region. Our results pave the way towards understanding the physically observable implications of time invariants in the nonunitary dynamics produced by PT -symmetric Hamiltonians.

Preparation, in vitro evaluation and molecular modelling of pyridinium-quinolinium/isoquinolinium non-symmetrical bisquaternary cholinesterase inhibitors.

PubMed

Komloova, Marketa; Horova, Anna; Hrabinova, Martina; Jun, Daniel; Dolezal, Martin; Vinsova, Jarmila; Kuca, Kamil; Musilek, Kamil

2013-12-15

Two series of non-symmetrical bisquaternary pyridinium-quinolinium and pyridinium-isoquinolinium compounds were prepared as molecules potentially applicable in myasthenia gravis treatment. Their inhibitory ability towards human recombinant acetylcholinesterase and human plasmatic butyrylcholinesterase was determined and the results were compared to the known effective inhibitors such as ambenonium dichloride, edrophonium bromide and experimental compound BW284C51. Two compounds, 1-(10-(pyridinium-1-yl)decyl)quinolinium dibromide and 1-(12-(pyridinium-1-yl)dodecyl)quinolinium dibromide, showed very promising affinity for acetylcholinesterase with their IC50 values reaching nM inhibition of acetylcholinesterase. These most active compounds also showed satisfactory selectivity towards acetylcholinesterase and they seem to be very promising as leading structures for further modifications and optimization. Two of the most promising compounds were examined in the molecular modelling study in order to find the possible interactions between the ligand and tested enzyme. Copyright © 2013 Elsevier Ltd. All rights reserved.

Experimental investigation of the no-signalling principle in parity-time symmetric theory using an open quantum system

NASA Astrophysics Data System (ADS)

Tang, Jian-Shun; Wang, Yi-Tao; Yu, Shang; He, De-Yong; Xu, Jin-Shi; Liu, Bi-Heng; Chen, Geng; Sun, Yong-Nan; Sun, Kai; Han, Yong-Jian; Li, Chuan-Feng; Guo, Guang-Can

2016-10-01

The experimental progress achieved in parity-time () symmetry in classical optics is the most important accomplishment in the past decade and stimulates many new applications, such as unidirectional light transport and single-mode lasers. However, in the quantum regime, some controversial effects are proposed for -symmetric theory, for example, the potential violation of the no-signalling principle. It is therefore important to understand whether -symmetric theory is consistent with well-established principles. Here, we experimentally study this no-signalling problem related to the -symmetric theory using two space-like separated entangled photons, with one of them passing through a post-selected quantum gate, which effectively simulates a -symmetric evolution. Our results suggest that the superluminal information transmission can be simulated when the successfully -symmetrically evolved subspace is solely considered. However, considering this subspace is only a part of the full Hermitian system, additional information regarding whether the -symmetric evolution is successful is necessary, which transmits to the receiver at maximally light speed, maintaining the no-signalling principle.

Top mass from asymptotic safety

NASA Astrophysics Data System (ADS)

Eichhorn, Astrid; Held, Aaron

2018-02-01

We discover that asymptotically safe quantum gravity could predict the top-quark mass. For a broad range of microscopic gravitational couplings, quantum gravity could provide an ultraviolet completion for the Standard Model by triggering asymptotic freedom in the gauge couplings and bottom Yukawa and asymptotic safety in the top-Yukawa and Higgs-quartic coupling. We find that in a part of this range, a difference of the top and bottom mass of approximately 170GeV is generated and the Higgs mass is determined in terms of the top mass. Assuming no new physics below the Planck scale, we construct explicit Renormalization Group trajectories for Standard Model and gravitational couplings which link the transplanckian regime to the electroweak scale and yield a top pole mass of Mt,pole ≈ 171GeV.

INMS measures an influx of molecules from Saturn's rings

NASA Astrophysics Data System (ADS)

Perry, M. E.

2017-12-01

In 1984, Connerney and Waite proposed water influx from Saturn's rings to explain the low electron densities measured during Pioneer and Voyager radio occultation experiments. Charge exchange with this minor species depleted the H+ ions and provided a faster path to electron recombination. With ice the primary constituent of the rings, water was the most likely in-falling molecule. During the Grand Finale orbits, Cassini's Ion and Neutral Mass Spectrometer (INMS) detected and quantified an influx from the rings. Unexpectedly, the primary influx molecules are CH4 and a heavier carbon-bearing species. Water was detected, but quantities were factors of ten lower than these other species. Distribution in both altitude and latitude are consistent with a ring influx. The concentration of the minor species in Saturn's atmosphere shows that they enter Saturn's atmosphere from the top. Both molecules have their highest concentrations at the highest altitudes, with concentrations >0.4% at 3,500 km altitude and only 0.02% at 2,700 km. Molecules from the rings deorbit to Saturn's atmosphere at altitudes near 4,000 km, consistent with the INMS measurements. The latitudinal dependence of the minor species indicates that their source is near the equatorial plane. At high altitudes, the minor species were observed primarily at zero latitude, where the 28u species was six times more concentrated than at 5° latitude. At lower altitudes, the peaking ratio was 1, indicating that the species had diffused and was fully mixed into Saturn's H2 atmosphere. The lighter molecule, CH4, diffuses more rapidly than the 28u species. INMS also detected both of these species during the earlier F-ring passes, finding that the neutrals were centered at the ring plane and extended 3,000 km (half width, half max) north and south.

Parametric symmetries in exactly solvable real and PT symmetric complex potentials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yadav, Rajesh Kumar, E-mail: rajeshastrophysics@gmail.com; Khare, Avinash, E-mail: khare@physics.unipune.ac.in; Bagchi, Bijan, E-mail: bbagchi123@gmail.com

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 invariantmore » (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.« less

Steering the measured uncertainty under decoherence through local PT -symmetric operations

NASA Astrophysics Data System (ADS)

Shi, Wei-Nan; Wang, Dong; Sun, Wen-Yang; Ming, Fei; Huang, Ai-Jun; Ye, Liu

2018-07-01

The uncertainty principle is viewed as one of the appealing properties in the context of quantum mechanics, which intrinsically offers a lower bound with regard to the measurement outcomes of a pair of incompatible observables within a given system. In this letter, we attempt to observe entropic uncertainty in the presence of quantum memory under different local noisy channels. To be specific, we develop the dynamics of the measured uncertainty under local bit-phase-flipping (unital) and depolarization (nonunital) noise, respectively, and attractively put forward an effective strategy to manipulate its magnitude of the uncertainty of interest by means of parity-time symmetric (-symmetric) operations on the subsystem to be measured. It is interesting to find that there exist different evolution characteristics of the uncertainty in the channels considered here, i.e. the monotonic behavior in the nonunital channels, and the non-monotonic behavior in the unital channels. Moreover, the amount of the measured uncertainty can be reduced to some degree by properly modulating the -symmetric operations.

Top2 and Sgs1-Top3 Act Redundantly to Ensure rDNA Replication Termination

PubMed Central

Fredsøe, Jacob; Nielsen, Ida; Pedersen, Jakob Madsen; Bentsen, Iben Bach; Lisby, Michael; Bjergbaek, Lotte; Andersen, Anni H

2015-01-01

Faithful DNA replication with correct termination is essential for genome stability and transmission of genetic information. Here we have investigated the potential roles of Topoisomerase II (Top2) and the RecQ helicase Sgs1 during late stages of replication. We find that cells lacking Top2 and Sgs1 (or Top3) display two different characteristics during late S/G2 phase, checkpoint activation and accumulation of asymmetric X-structures, which are both independent of homologous recombination. Our data demonstrate that checkpoint activation is caused by a DNA structure formed at the strongest rDNA replication fork barrier (RFB) during replication termination, and consistently, checkpoint activation is dependent on the RFB binding protein, Fob1. In contrast, asymmetric X-structures are formed independent of Fob1 at less strong rDNA replication fork barriers. However, both checkpoint activation and formation of asymmetric X-structures are sensitive to conditions, which facilitate fork merging and progression of replication forks through replication fork barriers. Our data are consistent with a redundant role of Top2 and Sgs1 together with Top3 (Sgs1-Top3) in replication fork merging at rDNA barriers. At RFB either Top2 or Sgs1-Top3 is essential to prevent formation of a checkpoint activating DNA structure during termination, but at less strong rDNA barriers absence of the enzymes merely delays replication fork merging, causing an accumulation of asymmetric termination structures, which are solved over time. PMID:26630413

Demixing in symmetric supersolid mixtures

NASA Astrophysics Data System (ADS)

Jain, Piyush; Moroni, Saverio; Boninsegni, Massimo; Pollet, Lode

2013-09-01

The droplet crystal phase of a symmetric binary mixture of soft-core bosons is studied by computer simulation. At high temperature each droplet comprises on average equal numbers of particles of either component, but the two components demix below the supersolid transition temperature, i.e., droplets mostly consist of particles of one component. Clustering of droplets of the same component is also observed. Demixing is driven by quantum tunneling of particles across droplets over the system and does not take place in an insulating crystal. This effect provides an unambiguous experimental signature of supersolidity.

Adsorption of small molecules on the [Zn-Zn]2+ linkage in zeolite. A DFT study of ferrierite

NASA Astrophysics Data System (ADS)

Benco, Lubomir

2017-02-01

In zeolites monovalent Zn(I) forms a sub-nano particles [Zn-Zn]2+ stabilized in rings of the zeolite framework, which exhibit interesting catalytic properties. This work reports on adsorption properties of [Zn-Zn]2+ particles in zeolite ferrierite investigated for a set of probing diatomic (N2, O2, H2, CO, NO) and triatomic (CO2, N2O, NO2, H2O) molecules using dispersion-corrected DFT. Three [Zn-Zn]2+ sites are compared differing in the location and stability. On all sites molecules form physisorbed clusters with the molecule connected on-top of the Zn-Zn linkage. In physisorbed clusters adsorption induces only slight change of bonding and the geometry of the Zn-Zn linkage. Some molecules can form stable chemisorbed clusters in which the molecule is integrated between two Zn+ cations. The sandwich-like chemisorption causes pronounced changes of bonding and can lead to the transfer of the electron density between two Zn+ cations and to a change of the oxidation state. The knowledge of bonding of small molecules can help understanding of the mechanism of conversion reactions catalyzed by sub-nano [Zn-Zn] particles.

Conservation laws in baroclinic inertial-symmetric instabilities

NASA Astrophysics Data System (ADS)

Grisouard, Nicolas; Fox, Morgan B.; Nijjer, Japinder

2017-04-01

Submesoscale oceanic density fronts are structures in geostrophic and hydrostatic balance, but are more prone to instabilities than mesoscale flows. As a consequence, they are believed to play a large role in air-sea exchanges, near-surface turbulence and dissipation of kinetic energy of geostrophically and hydrostatically balanced flows. We will present two-dimensional (x, z) Boussinesq numerical experiments of submesoscale baroclinic fronts on the f-plane. Instabilities of the mixed inertial and symmetric types (the actual name varies across the literature) develop, with the absence of along-front variations prohibiting geostrophic baroclinic instabilities. Two new salient facts emerge. First, contrary to pure inertial and/or pure symmetric instability, the potential energy budget is affected, the mixed instability extracting significant available potential energy from the front and dissipating it locally. Second, in the submesoscale regime, the growth rate of this mixed instability is sufficiently large that significant radiation of near-inertial internal waves occurs. Although energetically small compared to e.g. local dissipation within the front, this process might be a significant source of near-inertial energy in the ocean.

Symmetric Fold/Super-Hopf Bursting, Chaos and Mixed-Mode Oscillations in Pernarowski Model of Pancreatic Beta-Cells

NASA Astrophysics Data System (ADS)

Fallah, Haniyeh

Pancreatic beta-cells produce insulin to regularize the blood glucose level. Bursting is important in beta cells due to its relation to the release of insulin. Pernarowski model is a simple polynomial model of beta-cell activities indicating bursting oscillations in these cells. This paper presents bursting behaviors of symmetric type in this model. In addition, it is shown that the current system exhibits the phenomenon of period doubling cascades of canards which is a route to chaos. Canards are also observed symmetrically near folds of slow manifold which results in a chaotic transition between n and n + 1 spikes symmetric bursting. Furthermore, mixed-mode oscillations (MMOs) and combination of symmetric bursting together with MMOs are illustrated during the transition between symmetric bursting and continuous spiking.

Recognition of 3-D symmetric objects from range images in automated assembly tasks

NASA Technical Reports Server (NTRS)

Alvertos, Nicolas; Dcunha, Ivan

1990-01-01

A new technique is presented for the three dimensional recognition of symmetric objects from range images. Beginning from the implicit representation of quadrics, a set of ten coefficients is determined for symmetric objects like spheres, cones, cylinders, ellipsoids, and parallelepipeds. Instead of using these ten coefficients trying to fit them to smooth surfaces (patches) based on the traditional way of determining curvatures, a new approach based on two dimensional geometry is used. For each symmetric object, a unique set of two dimensional curves is obtained from the various angles at which the object is intersected with a plane. Using the same ten coefficients obtained earlier and based on the discriminant method, each of these curves is classified as a parabola, circle, ellipse, or hyperbola. Each symmetric object is found to possess a unique set of these two dimensional curves whereby it can be differentiated from the others. It is shown that instead of using the three dimensional discriminant which involves evaluation of the rank of its matrix, it is sufficient to use the two dimensional discriminant which only requires three arithmetic operations.

Top Quark Studies at D0

DOE Office of Scientific and Technical Information (OSTI.GOV)

Peters, Reinhild Yvonne

2014-11-26

Years after its discovery in 1995 by CDF and D0, the top quark still undergoes intense investigations at the Tevatron. Using up to the full Run II data sample, new measurements of top quark production and properties by the D0 Collaboration are presented. In particular, the first observation of single top quark s-channel production, the measurement of differential tbar t distributions, forward-backward tbar t asymmetry, a new measurement of the top quark mass, and a measurement of the top quark charge are discussed.

Information Retrieval and Criticality in Parity-Time-Symmetric Systems.

PubMed

Kawabata, Kohei; Ashida, Yuto; Ueda, Masahito

2017-11-10

By investigating information flow between a general parity-time (PT-)symmetric non-Hermitian system and an environment, we find that the complete information retrieval from the environment can be achieved in the PT-unbroken phase, whereas no information can be retrieved in the PT-broken phase. The PT-transition point thus marks the reversible-irreversible criticality of information flow, around which many physical quantities such as the recurrence time and the distinguishability between quantum states exhibit power-law behavior. Moreover, by embedding a PT-symmetric system into a larger Hilbert space so that the entire system obeys unitary dynamics, we reveal that behind the information retrieval lies a hidden entangled partner protected by PT symmetry. Possible experimental situations are also discussed.

Inverse eigenproblem for R-symmetric matrices and their approximation

NASA Astrophysics Data System (ADS)

Yuan, Yongxin

2009-11-01

Let be a nontrivial involution, i.e., R=R-1[not equal to]±In. We say that is R-symmetric if RGR=G. The set of all -symmetric matrices is denoted by . In this paper, we first give the solvability condition for the following inverse eigenproblem (IEP): given a set of vectors in and a set of complex numbers , find a matrix such that and are, respectively, the eigenvalues and eigenvectors of A. We then consider the following approximation problem: Given an n×n matrix , find such that , where is the solution set of IEP and ||[dot operator]|| is the Frobenius norm. We provide an explicit formula for the best approximation solution by means of the canonical correlation decomposition.

Information Retrieval and Criticality in Parity-Time-Symmetric Systems

NASA Astrophysics Data System (ADS)

Kawabata, Kohei; Ashida, Yuto; Ueda, Masahito

2017-11-01

By investigating information flow between a general parity-time (P T -)symmetric non-Hermitian system and an environment, we find that the complete information retrieval from the environment can be achieved in the P T -unbroken phase, whereas no information can be retrieved in the P T -broken phase. The P T -transition point thus marks the reversible-irreversible criticality of information flow, around which many physical quantities such as the recurrence time and the distinguishability between quantum states exhibit power-law behavior. Moreover, by embedding a P T -symmetric system into a larger Hilbert space so that the entire system obeys unitary dynamics, we reveal that behind the information retrieval lies a hidden entangled partner protected by P T symmetry. Possible experimental situations are also discussed.

Sealed symmetric multilayered microelectronic device package with integral windows

DOEpatents

Peterson, Kenneth A.; Watson, Robert D.

2002-01-01

A sealed symmetric multilayered package with integral windows for housing one or more microelectronic devices. The devices can be a semiconductor chip, a CCD chip, a CMOS chip, a VCSEL chip, a laser diode, a MEMS device, or a IMEMS device. The multilayered package can be formed of a low-temperature cofired ceramic (LTCC) or high-temperature cofired ceramic (HTCC) multilayer processes with the windows being simultaneously joined (e.g. cofired) to the package body during LTCC or HTCC processing. The microelectronic devices can be flip-chip bonded and oriented so that the light-sensitive sides are optically accessible through the windows. The result is a compact, low-profile, sealed symmetric package, having integral windows that can be hermetically-sealed.

Fabrication and characterization of graphene/molecule/graphene vertical junctions with aryl alkane monolayers

NASA Astrophysics Data System (ADS)

Jeong, Inho; Song, Hyunwook

2017-11-01

In this study, we fabricated and characterized graphene/molecule/graphene (GMG) vertical junctions with aryl alkane monolayers. The constituent molecules were chemically self-assembled via electrophilic diazonium reactions into a monolayer on the graphene bottom electrode, while the other end physically contacted the graphene top electrode. A full understanding of the transport properties of molecular junctions is a key step in the realization of molecular-scale electronic devices and requires detailed microscopic characterization of the junction's active region. Using a multiprobe approach combining a variety of transport techniques, we elucidated the transport mechanisms and electronic structure of the GMG junctions, including temperature- and length-variable transport measurements, and transition voltage spectroscopy. These results provide criteria to establish a valid molecular junction and to determine the most probable transport characteristics of the GMG junctions.

Near-infrared absorption in symmetric squarylium and croconate dyes: a comparative study using symmetry-adapted cluster-configuration interaction methods.

PubMed

Prabhakar, Ch; Yesudas, K; Krishna Chaitanya, G; Sitha, Sanyasi; Bhanuprakash, K; Rao, V Jayathirtha

2005-09-29

Symmetric croconate (CR) and squarylium dyes (SQ) are well-known near-infrared (NIR) dyes and, in general, are considered to be donor-acceptor-donor type molecules. It is established in the literature that CR dyes absorb in a longer wavelength region than the corresponding SQ dyes. This has been attributed to the CR ring being a better acceptor than the SQ ring. Thus increasing the donor capacity should lead to a bathochromic shift in both SQ and CR. On the other hand, some experiments reported in the literature have revealed that increasing the conjugation in the donor part of the SQ molecule leads first to red shift, which upon a further increase of the conjugation changes to a blue shift. Hence, to understand the role of the central ring and the substitutions in the absorption of these dyes, we carried out high-level symmetry-adapted cluster-configuration interaction (SAC-CI) calculations of some substituted SQ and CR dyes and compare the absorption energy with the existing experimental data. We found that there is very good agreement. We also carried out SAC-CI calculations of some smaller model molecules, which contain the main oxyallyl substructure. We varied the geometry (angle) of the oxyallyl subgroup and the substitution in these model molecules to establish a correlation with the bathochromic shift. We found that the charge transfer is very small and does not play the key role in the red shift, but on the other hand, the perturbation of the HOMO-LUMO gap (HLG) from both the geometry and substitution seems to be responsible for this shift. We suggest as a design principle that increasing the donor capacity of the groups may not help in the red shift, but introducing groups which perturb the HLG and decrease it without changing the MO character should lead to a larger bathochromic shift.

Symmetric Electrode Spanning Narrows the Excitation Patterns of Partial Tripolar Stimuli in Cochlear Implants.

PubMed

Luo, Xin; Wu, Ching-Chih

2016-12-01

In cochlear implants (CIs), standard partial tripolar (pTP) mode reduces current spread by returning a fraction of the current to two adjacent flanking electrodes within the cochlea. Symmetric electrode spanning (i.e., separating both the apical and basal return electrodes from the main electrode by one electrode) has been shown to increase the pitch of pTP stimuli, when the ratio of intracochlear return current was fixed. To explain the pitch increase caused by symmetric spanning in pTP mode, this study measured the electrical potentials of both standard and symmetrically spanned pTP stimuli on a main electrode EL8 in five CI ears using electrical field imaging (EFI). In addition, the spatial profiles of evoked compound action potentials (ECAP) and the psychophysical forward masking (PFM) patterns were also measured for both stimuli. The EFI, ECAP, and PFM patterns of a given stimulus differed in shape details, reflecting the different levels of auditory processing and different ratios of intracochlear return current across the measurement methods. Compared to the standard pTP stimuli, the symmetrically spanned pTP stimuli significantly reduced the areas under the curves of the normalized EFI and PFM patterns, without shifting the pattern peaks and centroids (both around EL8). The more focused excitation patterns with symmetric spanning may have caused the previously reported pitch increase, due to an interaction between pitch and timbre perception. Being able to reduce the spread of excitation, pTP mode symmetric spanning is a promising stimulation strategy that may further increase spectral resolution and frequency selectivity with CIs.

Observation of optical solitons in PT-symmetric lattices

PubMed Central

Wimmer, Martin; Regensburger, Alois; Miri, Mohammad-Ali; Bersch, Christoph; Christodoulides, Demetrios N.; Peschel, Ulf

2015-01-01

Controlling light transport in nonlinear active environments is a topic of considerable interest in the field of optics. In such complex arrangements, of particular importance is to devise strategies to subdue chaotic behaviour even in the presence of gain/loss and nonlinearity, which often assume adversarial roles. Quite recently, notions of parity-time (PT) symmetry have been suggested in photonic settings as a means to enforce stable energy flow in platforms that simultaneously employ both amplification and attenuation. Here we report the experimental observation of optical solitons in PT-symmetric lattices. Unlike other non-conservative nonlinear arrangements where self-trapped states appear as fixed points in the parameter space of the governing equations, discrete PT solitons form a continuous parametric family of solutions. The possibility of synthesizing PT-symmetric saturable absorbers, where a nonlinear wave finds a lossless path through an otherwise absorptive system is also demonstrated. PMID:26215165

Observation of optical solitons in PT-symmetric lattices

NASA Astrophysics Data System (ADS)

Wimmer, Martin; Regensburger, Alois; Miri, Mohammad-Ali; Bersch, Christoph; Christodoulides, Demetrios N.; Peschel, Ulf

2015-07-01

Controlling light transport in nonlinear active environments is a topic of considerable interest in the field of optics. In such complex arrangements, of particular importance is to devise strategies to subdue chaotic behaviour even in the presence of gain/loss and nonlinearity, which often assume adversarial roles. Quite recently, notions of parity-time (PT) symmetry have been suggested in photonic settings as a means to enforce stable energy flow in platforms that simultaneously employ both amplification and attenuation. Here we report the experimental observation of optical solitons in PT-symmetric lattices. Unlike other non-conservative nonlinear arrangements where self-trapped states appear as fixed points in the parameter space of the governing equations, discrete PT solitons form a continuous parametric family of solutions. The possibility of synthesizing PT-symmetric saturable absorbers, where a nonlinear wave finds a lossless path through an otherwise absorptive system is also demonstrated.

Top quark forward-backward asymmetry and same-sign top quark pairs.

PubMed

Berger, Edmond L; Cao, Qing-Hong; Chen, Chuan-Ren; Li, Chong Sheng; Zhang, Hao

2011-05-20

The top quark forward-backward asymmetry measured at the Tevatron collider shows a large deviation from standard model expectations. Among possible interpretations, a nonuniversal Z' model is of particular interest as it naturally predicts a top quark in the forward region of large rapidity. To reproduce the size of the asymmetry, the couplings of the Z' to standard model quarks must be large, inevitably leading to copious production of same-sign top quark pairs at the energies of the Large Hadron Collider (LHC). We explore the discovery potential for tt and ttj production in early LHC experiments at 7-8 TeV and conclude that if no tt signal is observed with 1 fb⁻¹ of integrated luminosity, then a nonuniversal Z' alone cannot explain the Tevatron forward-backward asymmetry.

Symmetrical infantile thalamic degeneration in two sibs

PubMed Central

Abuelo, Dianne N; Barsel-Bowers, Gail; Tutschka, Barbara G; Ambler, Mary; Singer, Don B

1981-01-01

This is the first observation of two cases of symmetrical infantile thalamic degeneration with cell mineralisation in a family. Although it cannot be established at present, autosomal recessive inheritance of a metabolic error causing or predisposing to damage to specific areas of the central nervous system is a possible aetiology for this condition. Images PMID:7334503

The hit problem for symmetric polynomials over the Steenrod algebra

NASA Astrophysics Data System (ADS)

Janfada, A. S.; Wood, R. M. W.

2002-09-01

We cite [18] for references to work on the hit problem for the polynomial algebra P(n) = [open face F]2[x1, ;…, xn] = [oplus B: plus sign in circle]d[gt-or-equal, slanted]0 Pd(n), viewed as a graded left module over the Steenrod algebra [script A] at the prime 2. The grading is by the homogeneous polynomials Pd(n) of degree d in the n variables x1, …, xn of grading 1. The present article investigates the hit problem for the [script A]-submodule of symmetric polynomials B(n) = P(n)[sum L: summation operator]n , where [sum L: summation operator]n denotes the symmetric group on n letters acting on the right of P(n). Among the main results is the symmetric version of the well-known Peterson conjecture. For a positive integer d, let [mu](d) denote the smallest value of k for which d = [sum L: summation operator]ki=1(2[lambda]i[minus sign]1), where [lambda]i [gt-or-equal, slanted] 0.

Nonspherically symmetric black string perturbations in the large dimension limit

NASA Astrophysics Data System (ADS)

Sadhu, Amruta; Suneeta, Vardarajan

2016-06-01

We consider nonspherically symmetric perturbations of the uncharged black string/flat black brane in the large dimension (D) limit of general relativity. We express the perturbations in a simplified form using variables introduced by Ishibashi and Kodama. We apply the large D limit to the equations and show that this leads to decoupling of the equations in the near-horizon and asymptotic regions. It also enables use of matched asymptotic expansions to obtain approximate analytical solutions and to analyze stability of the black string/brane. For a large class of nonspherically symmetric perturbations, we prove that there are no instabilities in the large D limit. For the rest, we provide additional matching arguments that indicate that the black string/brane is stable. In the static limit, we show that for all nonspherically symmetric perturbations, there is no instability. This is proof that the Gross-Perry-Yaffe mode for semiclassical black hole perturbations is the unique unstable mode even in the large D limit. This work is also a direct analytical indication that the only instability of the black string is the Gregory-Laflamme instability.

Training Top 10 Hall of Fame

ERIC Educational Resources Information Center

Training, 2012

2012-01-01

Microsoft Corporation and SCC Soft Computer are the newest inductees into the Training Top 10 Hall of Fame, joining the ranks of the 11 companies named to the hall since its inception in 2008 (Wyeth Pharmaceuticals subsequently was acquired by Pfizer Inc. in 2009). These 11 companies held Top 10 spots in the Training Top 50, Top 100, and now Top…

Antinuclear Antibodies (ANA) in Gordon Setters with Symmetrical Lupoid Onychodystrophy and Black Hair Follicular Dysplasia

PubMed Central

Bohnhorst, J Øvrebø; Hanssen, I; Moen, T

2001-01-01

Antinuclear antibodies (ANA) were demonstrated in 3 out of 10 Gordon setters with symmetrical lupoid onychodystrophy and in 5 out of 13 Gordon setters with black hair follicular dysplasia. Two dogs showed both symmetrical lupoid onychodystrophy and black hair follicular dysplasia, and one of these was ANA positive. The results suggest that symmetrical lupoid onychodystrophy and black hair follicular dysplasia in the Gordon setter might be autoimmune diseases that are pathogenetically related, which might indicate a common genetic predisposition. PMID:11887392

A finite element formulation preserving symmetric and banded diffusion stiffness matrix characteristics for fractional differential equations

NASA Astrophysics Data System (ADS)

Lin, Zeng; Wang, Dongdong

2017-10-01

Due to the nonlocal property of the fractional derivative, the finite element analysis of fractional diffusion equation often leads to a dense and non-symmetric stiffness matrix, in contrast to the conventional finite element formulation with a particularly desirable symmetric and banded stiffness matrix structure for the typical diffusion equation. This work first proposes a finite element formulation that preserves the symmetry and banded stiffness matrix characteristics for the fractional diffusion equation. The key point of the proposed formulation is the symmetric weak form construction through introducing a fractional weight function. It turns out that the stiffness part of the present formulation is identical to its counterpart of the finite element method for the conventional diffusion equation and thus the stiffness matrix formulation becomes trivial. Meanwhile, the fractional derivative effect in the discrete formulation is completely transferred to the force vector, which is obviously much easier and efficient to compute than the dense fractional derivative stiffness matrix. Subsequently, it is further shown that for the general fractional advection-diffusion-reaction equation, the symmetric and banded structure can also be maintained for the diffusion stiffness matrix, although the total stiffness matrix is not symmetric in this case. More importantly, it is demonstrated that under certain conditions this symmetric diffusion stiffness matrix formulation is capable of producing very favorable numerical solutions in comparison with the conventional non-symmetric diffusion stiffness matrix finite element formulation. The effectiveness of the proposed methodology is illustrated through a series of numerical examples.

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

NASA Astrophysics Data System (ADS)

Lao, Yingjie; Parhi, Keshab K.

2017-12-01

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

5 CFR 1312.27 - Top secret control.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 5 Administrative Personnel 3 2010-01-01 2010-01-01 false Top secret control. 1312.27 Section 1312... Classified Information § 1312.27 Top secret control. The EOP Security Officer serves as the Top Secret... Top Secret material. The ATSCOs will be responsible for the accountability and custodianship of Top...

5 CFR 1312.27 - Top secret control.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 5 Administrative Personnel 3 2011-01-01 2011-01-01 false Top secret control. 1312.27 Section 1312... Classified Information § 1312.27 Top secret control. The EOP Security Officer serves as the Top Secret... Top Secret material. The ATSCOs will be responsible for the accountability and custodianship of Top...

5 CFR 1312.27 - Top secret control.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 5 Administrative Personnel 3 2013-01-01 2013-01-01 false Top secret control. 1312.27 Section 1312... Classified Information § 1312.27 Top secret control. The EOP Security Officer serves as the Top Secret... Top Secret material. The ATSCOs will be responsible for the accountability and custodianship of Top...

5 CFR 1312.27 - Top secret control.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 5 Administrative Personnel 3 2012-01-01 2012-01-01 false Top secret control. 1312.27 Section 1312... Classified Information § 1312.27 Top secret control. The EOP Security Officer serves as the Top Secret... Top Secret material. The ATSCOs will be responsible for the accountability and custodianship of Top...

5 CFR 1312.27 - Top secret control.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 5 Administrative Personnel 3 2014-01-01 2014-01-01 false Top secret control. 1312.27 Section 1312... Classified Information § 1312.27 Top secret control. The EOP Security Officer serves as the Top Secret... Top Secret material. The ATSCOs will be responsible for the accountability and custodianship of Top...

Water: a responsive small molecule.

PubMed

Shultz, Mary Jane; Vu, Tuan Hoang; Meyer, Bryce; Bisson, Patrick

2012-01-17

Unique among small molecules, water forms a nearly tetrahedral yet flexible hydrogen-bond network. In addition to its flexibility, this network is dynamic: bonds are formed or broken on a picosecond time scale. These unique features make probing the local structure of water challenging. Despite the challenges, there is intense interest in developing a picture of the local water structure due to water's fundamental importance in many fields of chemistry. Understanding changes in the local network structure of water near solutes likely holds the key to unlock problems from analyzing parameters that determine the three dimensional structure of proteins to modeling the fate of volatile materials released into the atmosphere. Pictures of the local structure of water are heavily influenced by what is known about the structure of ice. In hexagonal I(h) ice, the most stable form of solid water under ordinary conditions, water has an equal number of donor and acceptor bonds; a kind of symmetry. This symmetric tetrahedral coordination is only approximately preserved in the liquid. The most obvious manifestation of this altered tetrahedral bonding is the greater density in the liquid compared with the solid. Formation of an interface or addition of solutes further modifies the local bonding in water. Because the O-H stretching frequency is sensitive to the environment, vibrational spectroscopy provides an excellent probe for the hydrogen-bond structure in water. In this Account, we examine both local interactions between water and small solutes and longer range interactions at the aqueous surface. Locally, the results suggest that water is not a symmetric donor or acceptor, but rather has a propensity to act as an acceptor. In interactions with hydrocarbons, action is centered at the water oxygen. For soluble inorganic salts, interaction is greater with the cation than the anion. The vibrational spectrum of the surface of salt solutions is altered compared with that of neat

Symmetric large momentum transfer for atom interferometry with BECs

NASA Astrophysics Data System (ADS)

Abend, Sven; Gebbe, Martina; Gersemann, Matthias; Rasel, Ernst M.; Quantus Collaboration

2017-04-01

We develop and demonstrate a novel scheme for a symmetric large momentum transfer beam splitter for interferometry with Bose-Einstein condensates. Large momentum transfer beam splitters are a key technique to enhance the scaling factor and sensitivity of an atom interferometer and to create largely delocalized superposition states. To realize the beam splitter, double Bragg diffraction is used to create a superposition of two symmetric momentum states. Afterwards both momentum states are loaded into a retro-reflected optical lattice and accelerated by Bloch oscillations on opposite directions, keeping the initial symmetry. The favorable scaling behavior of this symmetric acceleration, allows to transfer more than 1000 ℏk of total differential splitting in a single acceleration sequence of 6 ms duration while we still maintain a fraction of approx. 25% of the initial atom number. As a proof of the coherence of this beam splitter, contrast in a closed Mach-Zehnder atom interferometer has been observed with up to 208 ℏk of momentum separation, which equals a differential wave-packet velocity of approx. 1.1 m/s for 87Rb. The presented work is supported by the CRC 1128 geo-Q and the DLR with funds provided by the Federal Ministry of Economic Affairs and Energy (BMWi) due to an enactment of the German Bundestag under Grant No. DLR 50WM1552-1557 (QUANTUS-IV-Fallturm).

Interacting Non-Abelian Anti-Symmetric Tensor Field Theories

NASA Astrophysics Data System (ADS)

Ekambaram, K.; Vytheeswaran, A. S.

2018-04-01

Non-Abelian Anti-symmetric Tensor fields interacting with vector fields have a complicated constraint structure. We enlarge the gauge invariance in this system. Relevant gauge invariant quantities including the Hamiltonian are obtained. We also make introductory remarks on a different but more complicated gauge theory.

NASA Brevard Top Scholars

NASA Image and Video Library

2017-11-13

Students from Brevard County public high schools arrive at the NASA Kennedy Space Center Visitor Complex in Florida. Top scholars from the high schools were invited to Kennedy Space Center for a tour of facilities, lunch and a roundtable discussion with engineers and scientists at the center. The 2017-2018 Brevard Top Scholars event was hosted by the center's Education Projects and Youth Engagement office to honor the top three scholars of the graduating student class from each of Brevard County’s public high schools. The students received a personalized certificate at the end of the day.

Review of Top Quark Physics Results

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kehoe, R.; Narain, M.; Kumar, A.

2007-12-01

As the heaviest known fundamental particle, the top quark has taken a central role in the study of fundamental interactions. Production of top quarks in pairs provides an important probe of strong interactions. The top quark mass is a key fundamental parameter which places a valuable constraint on the Higgs boson mass and electroweak symmetry breaking. Observations of the relative rates and kinematics of top quark final states constrain potential new physics. In many cases, the tests available with study of the top quark are both critical and unique. Large increases in data samples from the Fermilab Tevatron have beenmore » coupled with major improvements in experimental techniques to produce many new precision measurements of the top quark. The first direct evidence for electroweak production of top quarks has been obtained, with a resulting direct determination of V{sub tb}. Several of the properties of the top quark have been measured. Progress has also been made in obtaining improved limits on potential anomalous production and decay mechanisms. This review presents an overview of recent theoretical and experimental developments in this field. We also provide a brief discussion of the implications for further efforts.« less

Measurements of top quark properties in top pair production and decay at the LHC using the CMS detector

DOE PAGES

Jindariani, Sergo

2016-05-31

Measurements are presented of the properties of top quarks in pair production and decay from proton-proton collisions at the LHC. The data were collected at centre-of-mass energies of 7 and 8 TeV by the CMS experiment during the years 2011 and 2012. The top quark-antiquark charge asymmetry is measured using the difference of the absolute rapidities of the reconstructed top and anti-top kinematics, as well as from distributions of the top quark decay products. The measurements are performed in the decay channels of the tt¯ pair into both one and two leptons in the final state. The polarization of topmore » quarks and top pair spin correlations are measured from the angular distributions of top quark decay products. The W-boson helicity fractions and angular asymmetries are extracted and limits on anomalous contributions to the Wtb vertex are determined. The flavor content in top-quark pair events is measured using the fraction of top quarks decaying into a W-boson and a b -quark relative to all top quark decays, R=B(t→Wb)/B(t→Wq) , and the result is used to determine the CKM matrix element Vtb as well as the width of the top quark resonance. Finally, all of the results are found to be in good agreement with standard model predictions.« less

Symmetrization of conservation laws with entropy for high-temperature hypersonic computations

NASA Technical Reports Server (NTRS)

Chalot, F.; Hughes, T. J. R.; Shakib, F.

1990-01-01

Results of Hughes, France, and Mallet are generalized to conservation law systems taking into account high-temperature effects. Symmetric forms of different equation sets are derived in terms of entropy variables. First, the case of a general divariant gas is studied; it can be specialized to the usual Navier-Stokes equations, as well as to situations where the gas is vibrationally excited, and undergoes equilibrium chemical reactions. The case of gas in thermochemical nonequilibrium is considered next. Transport phenomena, and in particular mass diffusion, are examined in the framework of symmetric advective-diffusive systems.

Naturalness from a composite top?

DOE PAGES

Pierce, Aaron; Zhao, Yue

2017-01-12

Here, we consider a theory with composite top quarks but an elementary Higgs boson. The hierarchy problem can be solved by supplementing TeV scale top compositeness with either supersymmetry or Higgs compositeness appearing at the multi-TeV scale. Furthermore, the Higgs boson couples to uncolored partons within the top quark. We also study how this approach can give rise to a novel screening effect that suppresses production of the colored top partners at the LHC. Strong constraints arise from Z tomore » $$\\bar{b}$$b, as well potentially from avor physics. Independent of flavor considerations, current constraints imply a compositeness scale &TeV; this implies that the model is likely tuned at the percent level. Four top quark production at the LHC is a smoking-gun probe of this scenario. New CP violation in D meson mixing is also possible.« less

Trajectory correction propulsion for TOPS

NASA Technical Reports Server (NTRS)

Long, H. R.; Bjorklund, R. A.

1972-01-01

A blowdown-pressurized hydrazine propulsion system was selected to provide trajectory correction impulse for outer planet flyby spacecraft as the result of cost/mass/reliability tradeoff analyses. Present hydrazine component and system technology and component designs were evaluated for application to the Thermoelectric Outer Planet Spacecraft (TOPS); while general hydrazine technology was adequate, component design changes were deemed necessary for TOPS-type missions. A prototype hydrazine propulsion system was fabricated and fired nine times for a total of 1600 s to demonstrate the operation and performance of the TOPS propulsion configuration. A flight-weight trajectory correction propulsion subsystem (TCPS) was designed for the TOPS based on actual and estimated advanced components.

Experimental investigation of the no-signalling principle in parity-time symmetric theory using an open quantum system

NASA Astrophysics Data System (ADS)

Tang, Jian-Shun; Wang, Yi-Tao; Han, Yong-Jian; Li, Chuan-Feng; Guo, Guang-Can

The experimental progress achieved in parity-time (PT) symmetry in classical optics is the most important accomplishment in the past decade and stimulates many new applications, such as unidirectional light transport and single-mode lasers. However, in the quantum regime, some controversial effects are proposed for PT-symmetric theory, for example, the potential violation of the no-signalling principle. It is therefore important to understand whether PT-symmetric theory is consistent with well-established principles. Here, we experimentally study this no-signalling problem related to the PT-symmetric theory using two space-like separated entangled photons, with one of them passing through a post-selected quantum gate, which effectively simulates a PT-symmetric evolution. Our results suggest that the superluminal information transmission can be simulated when the successfully PT-symmetrically evolved subspace is solely considered. However, considering this subspace is only a part of the full Hermitian system, additional information regarding whether the PT-symmetric evolution is successful is necessary, which transmits to the receiver at maximally light speed, maintaining the no-signalling principle.

Top surface blade residues and the central channel water molecules are conserved in every repeat of the integrin-like β-propeller structures.

PubMed

Denesyuk, Alexander; Denessiouk, Konstantin; Johnson, Mark S

2018-02-01

An integrin-like β-propeller domain contains seven repeats of a four-stranded antiparallel β-sheet motif (blades). Previously we described a 3D structural motif within each blade of the integrin-type β-propeller. Here, we show unique structural links that join different blades of the β-propeller structure, which together with the structural motif for a single blade are repeated in a β-propeller to provide the functional top face of the barrel, found to be involved in protein-protein interactions and substrate recognition. We compare functional top face diagrams of the integrin-type β-propeller domain and two non-integrin type β-propeller domains of virginiamycin B lyase and WD Repeat-Containing Protein 5. Copyright © 2017 Elsevier Inc. All rights reserved.

Structural Characterization of a Thrombin-Aptamer Complex by High Resolution Native Top-Down Mass Spectrometry

NASA Astrophysics Data System (ADS)

Zhang, Jiang; Loo, Rachel R. Ogorzalek; Loo, Joseph A.

2017-09-01

Native mass spectrometry (MS) with electrospray ionization (ESI) has evolved as an invaluable tool for the characterization of intact native proteins and non-covalently bound protein complexes. Here we report the structural characterization by high resolution native top-down MS of human thrombin and its complex with the Bock thrombin binding aptamer (TBA), a 15-nucleotide DNA with high specificity and affinity for thrombin. Accurate mass measurements revealed that the predominant form of native human α-thrombin contains a glycosylation mass of 2205 Da, corresponding to a sialylated symmetric biantennary oligosaccharide structure without fucosylation. Native MS showed that thrombin and TBA predominantly form a 1:1 complex under near physiological conditions (pH 6.8, 200 mM NH4OAc), but the binding stoichiometry is influenced by the solution ionic strength. In 20 mM ammonium acetate solution, up to two TBAs were bound to thrombin, whereas increasing the solution ionic strength destabilized the thrombin-TBA complex and 1 M NH4OAc nearly completely dissociated the complex. This observation is consistent with the mediation of thrombin-aptamer binding through electrostatic interactions and it is further consistent with the human thrombin structure that contains two anion binding sites on the surface. Electron capture dissociation (ECD) top-down MS of the thrombin-TBA complex performed with a high resolution 15 Tesla Fourier transform ion cyclotron resonance (FTICR) mass spectrometer showed the primary binding site to be at exosite I located near the N-terminal sequence of the heavy chain, consistent with crystallographic data. High resolution native top-down MS is complementary to traditional structural biology methods for structurally characterizing native proteins and protein-DNA complexes. [Figure not available: see fulltext.

An Efficiency Comparison of MBA Programs: Top 10 versus Non-Top 10

ERIC Educational Resources Information Center

Hsu, Maxwell K.; James, Marcia L.; Chao, Gary H.

2009-01-01

The authors compared the cohort group of the top-10 MBA programs in the United States with their lower-ranking counterparts on their value-added efficiency. The findings reveal that the top-10 MBA programs in the United States are associated with statistically higher average "technical and scale efficiency" and "scale efficiency", but not with a…

Radial electric field and ion parallel flow in the quasi-symmetric and Mirror configurations of HSX

NASA Astrophysics Data System (ADS)

Kumar, S. T. A.; Dobbins, T. J.; Talmadge, J. N.; Wilcox, R. S.; Anderson, D. T.

2018-05-01

The radial electric field and the ion mean parallel flow are obtained in the helically symmetric experiment stellarator from toroidal flow measurements of C+6 ion at two locations on a flux surface, using the Pfirsch–Schlüter effect. Results from the standard quasi-helically symmetric magnetic configuration are compared with those from the Mirror configuration where the quasi-symmetry is deliberately degraded using auxiliary coils. For similar injected power, the quasi-symmetric configuration is observed to have significantly lower flows while the experimental observations from the Mirror geometry are in better agreement with neoclassical calculations. Indications are that the radial electric field near the core of the quasi-symmetric configuration may be governed by non-neoclassical processes.

Two-dimensional solitons in conservative and parity-time-symmetric triple-core waveguides with cubic-quintic nonlinearity

NASA Astrophysics Data System (ADS)

Feijoo, David; Zezyulin, Dmitry A.; Konotop, Vladimir V.

2015-12-01

We analyze a system of three two-dimensional nonlinear Schrödinger equations coupled by linear terms and with the cubic-quintic (focusing-defocusing) nonlinearity. We consider two versions of the model: conservative and parity-time (PT ) symmetric. These models describe triple-core nonlinear optical waveguides, with balanced gain and losses in the PT -symmetric case. We obtain families of soliton solutions and discuss their stability. The latter study is performed using a linear stability analysis and checked with direct numerical simulations of the evolutional system of equations. Stable solitons are found in the conservative and PT -symmetric cases. Interactions and collisions between the conservative and PT -symmetric solitons are briefly investigated, as well.

Global image registration using a symmetric block-matching approach

PubMed Central

Modat, Marc; Cash, David M.; Daga, Pankaj; Winston, Gavin P.; Duncan, John S.; Ourselin, Sébastien

2014-01-01

Abstract. Most medical image registration algorithms suffer from a directionality bias that has been shown to largely impact subsequent analyses. Several approaches have been proposed in the literature to address this bias in the context of nonlinear registration, but little work has been done for global registration. We propose a symmetric approach based on a block-matching technique and least-trimmed square regression. The proposed method is suitable for multimodal registration and is robust to outliers in the input images. The symmetric framework is compared with the original asymmetric block-matching technique and is shown to outperform it in terms of accuracy and robustness. The methodology presented in this article has been made available to the community as part of the NiftyReg open-source package. PMID:26158035

Rim-Differentiated C5-Symmetric Tiara-Pillar[5]arenes

PubMed Central

2017-01-01

The synthesis of “rim-differentiated” C5-symmetric pillar[5]arenes, whose two rims are decorated with different chemical functionalities, has remained a challenging task. This is due to the inherent statistical nature of the cyclization of 1,4-disubstituted alkoxybenzenes with different substituents, which leads to four constitutional isomers with only 1/16th being rim-differentiated. Herein, we report a “preoriented” synthetic protocol based on FeCl3-catalyzed cyclization of asymmetrically substituted 2,5-dialkoxybenzyl alcohols. This yields an unprecedented 55% selectivity of the C5-symmetric tiara-like pillar[5]arene isomer among four constitutional isomers. Based on this new method, a series of functionalizable tiara-pillar[5]arene derivatives with C5-symmetry was successfully synthesized, isolated, and fully characterized in the solid state. PMID:29220153

Infrared spectra and quantum chemical calculations of the uranium-carbon molecules UC, CUC, UCH, and U(CC)2

NASA Astrophysics Data System (ADS)

Wang, Xuefeng; Andrews, Lester; Ma, Dongxia; Gagliardi, Laura; Gonçalves, António P.; Pereira, Cláudia C. L.; Marçalo, Joaquim; Godart, Claude; Villeroy, Benjamin

2011-06-01

Laser evaporation of carbon rich uranium/carbon alloy targets into condensing argon or neon matrix samples gives weak infrared absorptions that increase on annealing, which can be assigned to new uranium carbon bearing species. New bands at 827.6 cm-1 in solid argon or 871.7 cm-1 in neon become doublets with mixed carbon 12 and 13 isotopes and exhibit the 1.0381 carbon isotopic frequency ratio for the UC diatomic molecule. Another new band at 891.4 cm-1 in argon gives a three-band mixed isotopic spectrum with the 1.0366 carbon isotopic frequency ratio, which is characteristic of the anti-symmetric stretching vibration of a linear CUC molecule. No evidence was found for the lower energy cyclic U(CC) isomer. Other bands at 798.6 and 544.0 cm-1 are identified as UCH, which has a uranium-carbon triple bond similar to that in UC. Evidence is found for bicyclic U(CC)2 and tricyclic U(CC)3. This work shows that U and C atoms react spontaneously to form the uranium carbide U≡C and C≡U≡C molecules with uranium-carbon triple bonds.

Spherical aberration correction with threefold symmetric line currents.

PubMed

Hoque, Shahedul; Ito, Hiroyuki; Nishi, Ryuji; Takaoka, Akio; Munro, Eric

2016-02-01

It has been shown that N-fold symmetric line current (henceforth denoted as N-SYLC) produces 2N-pole magnetic fields. In this paper, a threefold symmetric line current (N3-SYLC in short) is proposed for correcting 3rd order spherical aberration of round lenses. N3-SYLC can be realized without using magnetic materials, which makes it free of the problems of hysteresis, inhomogeneity and saturation. We investigate theoretically the basic properties of an N3-SYLC configuration which can in principle be realized by simple wires. By optimizing the parameters of a system with beam energy of 5.5keV, the required excitation current for correcting 3rd order spherical aberration coefficient of 400 mm is less than 1AT, and the residual higher order aberrations can be kept sufficiently small to obtain beam size of less than 1 nm for initial slopes up to 5 mrad. Copyright © 2015 Elsevier B.V. All rights reserved.

Alternative construction of graceful symmetric trees

NASA Astrophysics Data System (ADS)

Sandy, I. P.; Rizal, A.; Manurung, E. N.; Sugeng, K. A.

2018-04-01

Graceful labeling is one of the interesting topics in graph theory. Let G = (V, E) be a tree. The injective mapping f:V\\to \\{0,1,\\ldots,|E|\\} is called graceful if the weight of edge w(xy)=|f(x)-f(y)| are all different for every edge xy. The famous conjecture in this area is all trees are graceful. In this paper we give alternative construction of graceful labeling on symmetric tree using adjacency matrix.

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.

Well-posedness of characteristic symmetric hyperbolic systems

NASA Astrophysics Data System (ADS)

Secchi, Paolo

1996-06-01

We consider the initial-boundary-value problem for quasi-linear symmetric hyperbolic systems with characteristic boundary of constant multiplicity. We show the well-posedness in Hadamard's sense (i.e., existence, uniqueness and continuous dependence of solutions on the data) of regular solutions in suitable functions spaces which take into account the loss of regularity in the normal direction to the characteristic boundary.

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.

NASA Brevard Top Scholars

NASA Image and Video Library

2017-11-13

Retired NASA astronaut Tom Jones talks to high school students during "Lunch with an Astronaut" at the NASA Kennedy Space Center Visitor Complex in Florida. Top scholars from Brevard County public high schools were invited to Kennedy Space Center for a tour of facilities, lunch and a roundtable discussion with engineers and scientists at the center. The 2017-2018 Brevard Top Scholars event was hosted by the center's Education Projects and Youth Engagement office to honor the top three scholars of the 2017-2018 graduating student class from each of Brevard County’s public high schools. The students received a personalized certificate at the end of the day.

Scanning properties of large dual-shaped offset and symmetric reflector antennas

NASA Astrophysics Data System (ADS)

Galindo-Israel, Victor; Veruttipong, Watt; Norrod, Roger D.; Imbriale, William A.

1992-04-01

Several characteristics of dual offset (DOSR) and symmetric shaped reflectors are examined. Among these is the amelioration of the added cost of manufacturing a shaped reflector antenna, particularly a doubly curved surface for the DOSR, if adjustable panels, which may be necessary for correction of gravity and wind distortions, are also used for improving gain by shaping. The scanning properties of shaped reflectors, both offset and circularly symmetric, are examined and compared to conic section scanning characteristics. Scanning of the pencil beam is obtained by lateral and axial translation of a single point-source feed. The feed is kept pointed toward the center of the subreflector. The effects of power spillover and aperture phase error as a function of beam scanning is examined for several different types of large reflector designs including DOSR, circularly symmetric large f/D and smaller f/D dual reflector antenna systems. It is graphically illustrated that the Abbe-sine condition for improving scanning of an optical system cannot, inherently, be satisfied in a dual-shaped reflector system shaped for high gain and low feed spillover.

Merging Bottom-Up with Top-Down: Continuous Lamellar Networks and Block Copolymer Lithography

NASA Astrophysics Data System (ADS)

Campbell, Ian Patrick

Block copolymer lithography is an emerging nanopatterning technology with capabilities that may complement and eventually replace those provided by existing optical lithography techniques. This bottom-up process relies on the parallel self-assembly of macromolecules composed of covalently linked, chemically distinct blocks to generate periodic nanostructures. Among the myriad potential morphologies, lamellar structures formed by diblock copolymers with symmetric volume fractions have attracted the most interest as a patterning tool. When confined to thin films and directed to assemble with interfaces perpendicular to the substrate, two-dimensional domains are formed between the free surface and the substrate, and selective removal of a single block creates a nanostructured polymeric template. The substrate exposed between the polymeric features can subsequently be modified through standard top-down microfabrication processes to generate novel nanostructured materials. Despite tremendous progress in our understanding of block copolymer self-assembly, continuous two-dimensional materials have not yet been fabricated via this robust technique, which may enable nanostructured material combinations that cannot be fabricated through bottom-up methods. This thesis aims to study the effects of block copolymer composition and processing on the lamellar network morphology of polystyrene-block-poly(methyl methacrylate) (PS-b-PMMA) and utilize this knowledge to fabricate continuous two-dimensional materials through top-down methods. First, block copolymer composition was varied through homopolymer blending to explore the physical phenomena surrounding lamellar network continuity. After establishing a framework for tuning the continuity, the effects of various processing parameters were explored to engineer the network connectivity via defect annihilation processes. Precisely controlling the connectivity and continuity of lamellar networks through defect engineering and

Molecules Without Atoms

NASA Astrophysics Data System (ADS)

Ruth, Anthony; Collins, Laura; Gomes, Kenjiro; Janko, Boldizsar

We present a real-space representation of molecules which results in the normal bonding rules and electronic structure of chemistry without atom-centered coulomb potentials. Using a simple mapping, we can generate atomless molecules from the structure of real molecules. Additionally, molecules without atoms show similar covalent bonding energies and transfer of charge in ionic bonds as real molecules. The atomless molecules contain only the valence and conduction electronic structure of the real molecule. Using the framework of the Atoms in Molecules (AIM) theory of Bader, we prove that the topological features of the valence charge distribution of molecules without atoms are identical to that of real molecules. In particular, the charge basins of atomless molecules show identical location and quantities of representative charge. We compare the accuracy, computational cost, and intuition gained from electronic structure calculations of molecules without atoms with the use of pseudopotentials to represent atomic cores in density functional theory. A. R. acknowledges support from a NASA Space Technology Research Fellowship.

Electrostatic odd symmetric eigenmode in inhomogeneous Bernstein-Greene-Kruskal equilibrium

NASA Astrophysics Data System (ADS)

Woo, M.-H.; Dokgo, K.; Yoon, Peter H.; Lee, D.-Y.; Choi, Cheong R.

2018-04-01

A self-consistent electrostatic odd-symmetric eigenmode (OEM) is analytically found in a solitary type Bernstein-Greene-Kruskal (BGK) equilibrium. The frequency of the OEM is order of the electron bounce frequency and it is spatially odd-symmetric with the scale comparable to that of the solitary BGK equilibrium structure. Such an OEM is consistent with the recent observation from particle-in-cell simulation of the solitary wave [Dokgo et al., Phys. Plasmas 23, 092107 (2016)]. The mode can be driven unstable by trapped electrons within the hole structure of the solitary wave. Such a low frequency, pure electron mode, which may possibly interact resonantly with the ion acoustic mode, provides a possible damping mechanism of the BGK equilibrium.

Surgical treatment of multiple symmetric lipomatosis with ultrasound-assisted liposuction.

PubMed

Bassetto, Franco; Scarpa, Carlotta; De Stefano, Fabio; Busetto, Luca

2014-11-01

Multiple symmetric lipomatosis (MSL) is a rare disease of unknown etiology, characterized by the presence of multiple, symmetrical, noncapsulated lipomas, mostly in the neck and upper trunk. To date, there is no effective medical treatment of MSL. Surgical treatment is based on 2 options, namely, lipectomy and/or liposuction. In this retrospective study, we compare traditional lipectomy with ultrasound-assisted liposuction. Our initial experience demonstrates that the ultrasound-assisted liposuction procedure can be applied to patients with MSL, allowing simultaneous treatment of multiple areas in a single session and the removal of a substantial amount of fat, thus improving aesthetic results. If lipomas are circumscribed and isolated, traditional lipectomy is probably to be preferred.

Symmetric rotating-wave approximation for the generalized single-mode spin-boson system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Albert, Victor V.; Scholes, Gregory D.; Brumer, Paul

2011-10-15

The single-mode spin-boson model exhibits behavior not included in the rotating-wave approximation (RWA) in the ultra and deep-strong coupling regimes, where counter-rotating contributions become important. We introduce a symmetric rotating-wave approximation that treats rotating and counter-rotating terms equally, preserves the invariances of the Hamiltonian with respect to its parameters, and reproduces several qualitative features of the spin-boson spectrum not present in the original rotating-wave approximation both off-resonance and at deep-strong coupling. The symmetric rotating-wave approximation allows for the treatment of certain ultra- and deep-strong coupling regimes with similar accuracy and mathematical simplicity as does the RWA in the weak-coupling regime.more » Additionally, we symmetrize the generalized form of the rotating-wave approximation to obtain the same qualitative correspondence with the addition of improved quantitative agreement with the exact numerical results. The method is readily extended to higher accuracy if needed. Finally, we introduce the two-photon parity operator for the two-photon Rabi Hamiltonian and obtain its generalized symmetric rotating-wave approximation. The existence of this operator reveals a parity symmetry similar to that in the Rabi Hamiltonian as well as another symmetry that is unique to the two-photon case, providing insight into the mathematical structure of the two-photon spectrum, significantly simplifying the numerics, and revealing some interesting dynamical properties.« less

Symmetrical drug-related intertriginous and flexural exanthema.

PubMed

Tan, Sze-Chin; Tan, Justina W-L

2011-08-01

Symmetrical drug-related intertriginous and flexural exanthema (SDRIFE), previously termed drug-related baboon syndrome, is a benign and self-limiting type IV hypersensitivity reaction characterized by symmetrical erythema involving the gluteal and intertriginous areas in the absence of systemic involvement. It may also occur in the absence of previous drug exposure. Antibiotics, in particular beta-lactams, comprise the majority of causes of SDRIFE. Other drugs which have been implicated include antihypertensives, radiocontrast media, chemotherapeutic agents, and biologics. Histology of lesional skin is variable with predominance of superficial perivascular inflammatory cell infiltrates. Outcomes of allergy tests are variable with positive delayed intradermal tests reported for penicillin V, allopurinol; positive patch tests for erythromycin, mitomycin, nystatin, pseudoephdrine; positive lymphocyte transformation tests for erythromycin; and positive drug provocation tests for clindamycin, cimetidine, corticosteroids, terbinafine, and valacyclovir. Diagnosis of SDRIFE is dependent upon recognition of the clinical morphology and distribution of the rash, and its temporal relationship to the use of the suspected drug. Outcomes of in-vivo and in-vitro tests have been inconsistent, and thus may not be useful in the identification of the putative drug.

Using Symmetry Group Correlation Tables to Explain why Erham (and Other Programs) cannot BE Used to Analyze Torsional Splittings of Some Molecules

NASA Astrophysics Data System (ADS)

Groner, Peter

2016-06-01

ERHAM has been used to analyze rotational spectra of many molecules with torsional splitting caused by one or two internal rotors. The gauche form of dimethyl ether-d1 whose equilibrium structure has C1 symmetry is an example of a molecule for which ERHAM could not model additional small splittings resolvable for many transitions, whereas the spectrum of the symmetric (anti, trans) form with a C{_s} equilibrium structure could be analyzed successfully with ERHAM. A more recent example where ERHAM failed is pinacolone CH_3-CO-C(CH_3)_3. In this case, the barriers to internal rotation of the methyl groups within the -C(CH_3)_3 unit are too high to produce observable internal rotation splittings, but the splittings due to the CH_3-CO methyl group could not be modeled correctly with ERHAM nor with any other available program (XIAM, BELGI-Cs, BELGI-C1, RAM36). In the paper, it was speculated that BELGI-Cs-2tops might be able to the job, but arguments against this possibility have also been put forward. The correlation between irreducible representations of groups and their subgroups according to Watson can be used not only to determine the total number of substates (components) to be expected but also to help decide which particular program has a chance for a successful analysis. As it turns out, the number of components of split lines depends on the molecular symmetry at equilibrium in relation to the highest possible symmetry for a given molecular symmetry group. Therefore, for pinacolone, the vibrational ground state is split into 10 torsional substates. P. Groner, J. Mol. Spectrosc. 278 (2012) 52-67. C. Richard et al. A&A 552 (2013), A117. Y. Zhao et al., J. Mol. Spectrosc. 318 (2015) 91-100, with references to all other programs mentioned in the abstract. J. K. G. Watson, Can. J. Physics 43 (1965) 1996-2007.

Top Quark Properties at the TeVatron

DOE Office of Scientific and Technical Information (OSTI.GOV)

Peters, Yvonne

2011-03-01

Discovered in 1995 by CDF and D0 at the Fermilab Tevatron collider, the top quark remains interesting to test the Standard Model. Having collected more than 7 fb{sup -1} of integrated luminosity with both experiments until today, several top quark properties have been measured with increasing precision, while other properties have been investigated for the first time. In this article recent measurements of top quark properties from CDF and D0 are presented, using between 1 fb{sup -1} and 4.8 fb{sup -1} of data. In particular, the measurement of the top quark mass, the top quark width, the top antitop massmore » difference, a check of the electric charge of the top quark, measurements of the top antitop quark spin correlation and W helicity as well as a search for charged Higgs bosons are discussed.« less

Magnetic field manipulation of spin current in a single-molecule magnet tunnel junction with two-electron Coulomb interaction

NASA Astrophysics Data System (ADS)

Zhang, Chao; Yao, Hui; Nie, Yi-Hang; Liang, Jiu-Qing; Niu, Peng-Bin

2018-04-01

In this work, we study the generation of spin-current in a single-molecule magnet (SMM) tunnel junction with Coulomb interaction of transport electrons and external magnetic field. In the absence of field the spin-up and -down currents are symmetric with respect to the initial polarizations of molecule. The existence of magnetic field breaks the time-reversal symmetry, which leads to unsymmetrical spin currents of parallel and antiparallel polarizations. Both the amplitude and polarization direction of spin current can be controlled by the applied magnetic field. Particularly when the magnetic field increases to a certain value the spin-current with antiparallel polarization is reversed along with the magnetization reversal of the SMM. The two-electron occupation indeed enhances the transport current compared with the single-electron process. However the increase of Coulomb interaction results in the suppression of spin-current amplitude at the electron-hole symmetry point. We propose a scheme to compensate the suppression with the magnetic field.

Numerical experiments with a symmetric high-resolution shock-capturing scheme

NASA Technical Reports Server (NTRS)

Yee, H. C.

1986-01-01

Characteristic-based explicit and implicit total variation diminishing (TVD) schemes for the two-dimensional compressible Euler equations have recently been developed. This is a generalization of recent work of Roe and Davis to a wider class of symmetric (non-upwind) TVD schemes other than Lax-Wendroff. The Roe and Davis schemes can be viewed as a subset of the class of explicit methods. The main properties of the present class of schemes are that they can be implicit, and, when steady-state calculations are sought, the numerical solution is independent of the time step. In a recent paper, a comparison of a linearized form of the present implicit symmetric TVD scheme with an implicit upwind TVD scheme originally developed by Harten and modified by Yee was given. Results favored the symmetric method. It was found that the latter is just as accurate as the upwind method while requiring less computational effort. Currently, more numerical experiments are being conducted on time-accurate calculations and on the effect of grid topology, numerical boundary condition procedures, and different flow conditions on the behavior of the method for steady-state applications. The purpose here is to report experiences with this type of scheme and give guidelines for its use.

Traveling wave device for combining or splitting symmetric and asymmetric waves

DOEpatents

Möbius, Arnold; Ives, Robert Lawrence

2005-07-19

A traveling wave device for the combining or splitting of symmetric and asymmetric traveling wave energy includes a feed waveguide for traveling wave energy, the feed waveguide having an input port and a launching port, a reflector for coupling wave energy between the feed waveguide and a final waveguide for the collection and transport of wave energy to or from the reflector. The power combiner has a launching port for symmetrical waves which includes a cylindrical section coaxial to the feed waveguide, and a launching port for asymmetric waves which includes a sawtooth rotated about a central axis.

Extraordinary reflection and transmission with direction dependent wavelength selectivity based on parity-time-symmetric multilayers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ding, Shulin; Wang, Guo Ping, E-mail: gpwang@szu.edu.cn; College of Electronic Science and Technology, Shenzhen University, Shenzhen 518060

In this paper, we present a kind of periodical ternary parity-time (PT) -symmetric multilayers to realize nearly 100% reflectance and transmittance simultaneously when light is incident from a certain direction. This extraordinary reflection and transmission is original from unidirectional Bragg reflection of PT-symmetric systems as the symmetry spontaneous breaking happens at PT thresholds. The extra energy involved in reflection and transmission lights is obtained from pumping light to the gain regions of the structure. Moreover, we find that our PT-symmetric structure shows direction dependent wavelength selectivity. When the illumination light is incident from two opposite directions into the multilayer structure,more » such extraordinary reflection and transmission appear at visible and near-infrared wavelengths, respectively. Such distinguishing properties may provide these structures with attractive applications as beam splitters, laser mirrors, narrow band filters, and multiband PT-symmetric optical devices.« less

Constructing I[subscript h] Symmetrical Fullerenes from Pentagons

ERIC Educational Resources Information Center

Gan, Li-Hua

2008-01-01

Twelve pentagons are sufficient and necessary to form a fullerene cage. According to this structural feature of fullerenes, we propose a simple and efficient method for the construction of I[subscript h] symmetrical fullerenes from pentagons. This method does not require complicated mathematical knowledge; yet it provides an excellent paradigm for…

Top-emitting organic light-emitting diodes.

PubMed

Hofmann, Simone; Thomschke, Michael; Lüssem, Björn; Leo, Karl

2011-11-07

We review top-emitting organic light-emitting diodes (OLEDs), which are beneficial for lighting and display applications, where non-transparent substrates are used. The optical effects of the microcavity structure as well as the loss mechanisms are discussed. Outcoupling techniques and the work on white top-emitting OLEDs are summarized. We discuss the power dissipation spectra for a monochrome and a white top-emitting OLED and give quantitative reports on the loss channels. Furthermore, the development of inverted top-emitting OLEDs is described.

Long-term repetition priming with symmetrical polygons and words.

PubMed

Kersteen-Tucker, Z

1991-01-01

In two different tasks, subjects were asked to make lexical decisions (word or nonword) and symmetry judgments (symmetrical or nonsymmetrical) about two-dimensional polygons. In both tasks, every stimulus was repeated at one of four lags (0, 1, 4, or 8 items interposed between the first and second stimulus presentations). This paradigm, known as repetition priming, revealed comparable short-term priming (Lag 0) and long-term priming (Lags 1, 4, and 8) both for symmetrical polygons and for words. A shorter term component (Lags 0 and 1) of priming was observed for nonwords, and only very short-term priming (Lag 0) was observed for nonsymmetrical polygons. These results indicate that response facilitation accruing from repeated exposure can be observed for stimuli that have no preexisting memory representations and suggest that perceptual factors contribute to repetition-priming effects.

N -tag probability law of the symmetric exclusion process

NASA Astrophysics Data System (ADS)

Poncet, Alexis; Bénichou, Olivier; Démery, Vincent; Oshanin, Gleb

2018-06-01

The symmetric exclusion process (SEP), in which particles hop symmetrically on a discrete line with hard-core constraints, is a paradigmatic model of subdiffusion in confined systems. This anomalous behavior is a direct consequence of strong spatial correlations induced by the requirement that the particles cannot overtake each other. Even if this fact has been recognized qualitatively for a long time, up to now there has been no full quantitative determination of these correlations. Here we study the joint probability distribution of an arbitrary number of tagged particles in the SEP. We determine analytically its large-time limit for an arbitrary density of particles, and its full dynamics in the high-density limit. In this limit, we obtain the time-dependent large deviation function of the problem and unveil a universal scaling form shared by the cumulants.

Taple-top imaging of the non-adiabatically driven isomerization in the acetylene cation

NASA Astrophysics Data System (ADS)

Beaulieu, Samuel; Ibrahim, Heide; Wales, Benji; Schmidt, Bruno E.; Thiré, Nicolas; Bisson, Éric; Hebeisen, Christoph T.; Wanie, Vincent; Giguere, Mathieu; Kieffer, Jean-Claude; Sanderson, Joe; Schuurman, Michael S.; Légaré, François

2014-05-01

One of the primary goals of modern ultrafast science is to follow nuclear and electronic evolution of molecules as they undergo a photo-chemical reaction. Most of the interesting dynamics phenomena in molecules occur when an electronically excited state is populated. When the energy difference between electronic ground and excited states is large, Free Electron Laser (FEL) and HHG-based VUV sources were, up to date, the only light sources able to efficiently initiate those non-adiabatic dynamics. We have developed a simple table-top approach to initiate those rich dynamics via multiphoton absorption. As a proof of principle, we studied the ultrafast isomerization of the acetylene cation. We have chosen this model system for isomerization since the internal conversion mechanism which leads to proton migration is still under debate since decades. Using 266 nm multiphoton absorption as a pump and 800 nm induced Coulomb Explosion as a probe, we have shoot the first high-resolution molecular movie of the non-adiabatically driven proton migration in the acetylene cation. The experimental results are in excellent agreement with high level ab initio trajectory simulations.

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.

Radial electric field and ion parallel flow in the quasi-symmetric and Mirror configurations of HSX

DOE PAGES

Kumar, S. T. A.; Dobbins, T. J.; Talmadge, J. N.; ...

2018-03-07

In this paper, the radial electric field and the ion mean parallel flow are obtained in the helically symmetric experiment stellarator from toroidal flow measurements of C +6 ion at two locations on a flux surface, using the Pfirsch–Schlüter effect. Results from the standard quasi-helically symmetric magnetic configuration are compared with those from the Mirror configuration where the quasi-symmetry is deliberately degraded using auxiliary coils. For similar injected power, the quasi-symmetric configuration is observed to have significantly lower flows while the experimental observations from the Mirror geometry are in better agreement with neoclassical calculations. Finally, indications are that the radialmore » electric field near the core of the quasi-symmetric configuration may be governed by non-neoclassical processes.« less

Radial electric field and ion parallel flow in the quasi-symmetric and Mirror configurations of HSX

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumar, S. T. A.; Dobbins, T. J.; Talmadge, J. N.

In this paper, the radial electric field and the ion mean parallel flow are obtained in the helically symmetric experiment stellarator from toroidal flow measurements of C +6 ion at two locations on a flux surface, using the Pfirsch–Schlüter effect. Results from the standard quasi-helically symmetric magnetic configuration are compared with those from the Mirror configuration where the quasi-symmetry is deliberately degraded using auxiliary coils. For similar injected power, the quasi-symmetric configuration is observed to have significantly lower flows while the experimental observations from the Mirror geometry are in better agreement with neoclassical calculations. Finally, indications are that the radialmore » electric field near the core of the quasi-symmetric configuration may be governed by non-neoclassical processes.« less

Nanostructured double-layer FeO as nanotemplate for tuning adsorption of titanyl phthalocyanine molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lu, Shuangzan; University of Chinese Academy of Sciences, Beijing 100049; Qin, Zhihui, E-mail: zhqin@wipm.ac.cn

2014-06-23

The growth, structure of Pt(111) supported double-layer FeO and the adsorption of titanyl phthalocyanine (TiOPc) molecules with tunable site and orientation were presented. According to the atomic-resolution STM image, the structure was rationalized as (8√3 × 8√3) R30°/Pt(111) nanostructure constructed by Fe species coordinated with different number of oxygen on top of non-rotated (8 × 8) FeO /Pt(111) structure. Due to the modulation of the stacking of Fe atoms in the second layer relative to the O atoms in the second layer and the underlying layer, the interface and total dipole moment periodically vary within (8√3 × 8√3) R30°/Pt(111) structure. The resulted periodically distributed dipole-dipole interactionmore » benefits the growth of TiOPc molecules with area-selective sites and molecular orientations. Thus, this study provides a reliable method to govern the adsorption process of the polar molecules for potential applications in future functional molecular devices.« less

The low-bias conducting mechanism of single-molecule junctions constructed with methylsulfide linker groups and gold electrodes

NASA Astrophysics Data System (ADS)

Wang, Minglang; Wang, Yongfeng; Sanvito, Stefano; Hou, Shimin

2017-08-01

The atomic structure and electronic transport properties of two types of molecular junctions, in which a series of saturated and conjugated molecules are symmetrically connected to gold electrodes through methylsulfide groups, are investigated using the non-equilibrium Green's function formalism combined with density functional theory. Our calculations show that the low-bias junction conductance is determined by the electronic tunneling between the two Au-S donor-acceptor bonds formed at the molecule-electrode interfaces. For alkanes with 4, 6, and 8 carbon atoms in the chain, the Au-S bonds moderately couple with the σ-type frontier molecular orbitals of the alkane backbone and thus prefer to be coplanar with the alkane backbone in the junction. This results in an exponential decrease of the junction conductance as a function of the number of methylene groups. In contrast, the Au-S bonds couple strongly with the π-type orbitals of the 1,4'-bis(methylsulfide)benzene and 4,4'-bis(methylsulfide)biphenyl molecules and thus tend to be perpendicular to the neighboring benzene rings, leading to the rather large junction conductance. Our findings contribute to the understanding of the low-bias conducting mechanism and facilitate the design of molecular electronic devices with methylsulfide groups and gold electrodes.

Non-coaxial-based microwave ablation antennas for creating symmetric and asymmetric coagulation zones

NASA Astrophysics Data System (ADS)

Mohtashami, Yahya; Luyen, Hung; Hagness, Susan C.; Behdad, Nader

2018-06-01

We present an investigation of a new class of microwave ablation (MWA) antennas capable of producing axially symmetric or asymmetric heating patterns. The antenna design is based on a dipole fed by a balanced parallel-wire transmission line. The angle and direction of the deployed dipole arms are used to control the heating pattern. We analyzed the specific absorption rate and temperature profiles using electromagnetic and thermal simulations. Two prototypes were fabricated and tested in ex vivo ablation experiments: one was designed to produce symmetric heating patterns and the other was designed to generate asymmetric heating patterns. Both fabricated prototypes exhibited good impedance matching and produced localized coagulation zones as predicted by the simulations. The prototype operating in porcine muscle created an ˜10 cm3 symmetric ablation zone after 10 min of ablation with a power level of 18 W. The prototype operating in egg white created an ˜4 cm3 asymmetric ablation zone with a directionality ratio of 40% after 5 min of ablation with a power level of 25 W. The proposed MWA antenna design shows promise for minimally invasive treatment of tumors in various clinical scenarios where, depending on the situation, a symmetric or an asymmetric heating pattern may be needed.

Symmetric and asymmetric capillary bridges between a rough surface and a parallel surface.

PubMed

Wang, Yongxin; Michielsen, Stephen; Lee, Hoon Joo

2013-09-03

Although the formation of a capillary bridge between two parallel surfaces has been extensively studied, the majority of research has described only symmetric capillary bridges between two smooth surfaces. In this work, an instrument was built to form a capillary bridge by squeezing a liquid drop on one surface with another surface. An analytical solution that describes the shape of symmetric capillary bridges joining two smooth surfaces has been extended to bridges that are asymmetric about the midplane and to rough surfaces. The solution, given by elliptical integrals of the first and second kind, is consistent with a constant Laplace pressure over the entire surface and has been verified for water, Kaydol, and dodecane drops forming symmetric and asymmetric bridges between parallel smooth surfaces. This solution has been applied to asymmetric capillary bridges between a smooth surface and a rough fabric surface as well as symmetric bridges between two rough surfaces. These solutions have been experimentally verified, and good agreement has been found between predicted and experimental profiles for small drops where the effect of gravity is negligible. Finally, a protocol for determining the profile from the volume and height of the capillary bridge has been developed and experimentally verified.

Tennessee to the Top: One State's Pursuit to Win Race to the Top

ERIC Educational Resources Information Center

Finch, Maida A.

2017-01-01

In 2009, a seldom-used policy lever emerged in the form of a competitive grant program, Race to the Top (RTTT), and sparked a flurry of state-led initiatives as states vied for federal dollars. The current study examines the policymaking context that surrounded these events and propelled Tennessee to the top of the race among the states. Through…

Molecule nanoweaver

DOEpatents

Gerald, II; Rex, E [Brookfield, IL; Klingler, Robert J [Glenview, IL; Rathke, Jerome W [Homer Glen, IL; Diaz, Rocio [Chicago, IL; Vukovic, Lela [Westchester, IL

2009-03-10

A method, apparatus, and system for constructing uniform macroscopic films with tailored geometric assemblies of molecules on the nanometer scale. The method, apparatus, and system include providing starting molecules of selected character, applying one or more force fields to the molecules to cause them to order and condense with NMR spectra and images being used to monitor progress in creating the desired geometrical assembly and functionality of molecules that comprise the films.

PT-symmetric eigenvalues for homogeneous potentials

NASA Astrophysics Data System (ADS)

Eremenko, Alexandre; Gabrielov, Andrei

2018-05-01

We consider one-dimensional Schrödinger equations with potential x2M(ix)ɛ, where M ≥ 1 is an integer and ɛ is real, under appropriate parity and time (PT)-symmetric boundary conditions. We prove the phenomenon which was discovered by Bender and Boettcher by numerical computation: as ɛ changes, the real spectrum suddenly becomes non-real in the sense that all but finitely many eigenvalues become non-real. We find the limit arguments of these non-real eigenvalues E as E → ∞.

Parity–time-symmetric circular Bragg lasers: a proposal and analysis

PubMed Central

Gu, Jiahua; Xi, Xiang; Ma, Jingwen; Yu, Zejie; Sun, Xiankai

2016-01-01

We propose a new type of semiconductor lasers by implementing the concept of parity–time symmetry in a two-dimensional circular Bragg grating structure, where both the real and imaginary parts of the refractive index are modulated along the radial direction. The laser modal properties are analyzed with a transfer-matrix method and are verified with numerical simulation of a practical design. Compared with conventional distributed-feedback lasers with modulation of only the real part of refractive index, the parity–time-symmetric circular Bragg lasers feature reduced threshold and enhanced modal discrimination, which in combination with the intrinsic circularly symmetric, large emission aperture are clear advantages in applications that require mode-hop-free, high-power, single-mode laser operation. PMID:27892933

Top tether effectiveness during side impacts.

PubMed

Majstorovic, Jordan; Bing, Julie; Dahle, Eric; Bolte, John; Kang, Yun-Seok

2018-02-28

Few studies have looked at the effectiveness of the top tether during side impacts. In these studies, limited anthropomorphic test device (ATD) data were collected and/or few side impact scenarios were observed. The goal of this study was to further understand the effects of the top tether on ATD responses and child restraint system (CRS) kinematics during various side impact conditions. A series of high-speed near-side and far-side sled tests were performed using the FMVSS213 side impact sled buck and Q3s ATD. Tests were performed at both 10° and 30° impacts with respect to the pure lateral direction. Two child restraints, CRS A and CRS B, were attached to the bench using flexible lower anchors. Each test scenario was performed with the presence and absence of a top tether. Instrumentation recorded Q3s responses and CRS kinematics, and the identical test scenarios with and without a top tether attachment were compared. For the far-side lateral (10°) and oblique (30°) impacts, top tether attachment increased resultant head accelerations by 8-38% and head injury criterion (HIC 15 ) values by 20-140%. However, the top tether was effective in reducing lateral head excursion by 5-25%. For near-side impacts, the top tether resulted in less than 10% increases in both resultant head acceleration and HIC 15 in the lateral impact direction. For near-side oblique impacts, the top tether increased HIC 15 by 17.3% for CRS A and decreased it by 19.5% for CRS B. However, the injury values determined from both impact conditions were below current injury assessment reference values (IARVs). Additionally, the top tether proved beneficial in preventing forward and lateral CRS rotations. The results show that the effects of the top tether on Q3s responses were dependent on impact type, impact angle, and CRS. Tether attachments that increased head accelerations and HIC 15 values were generally counterbalanced by a reduction in head excursion and CRS rotation compared to

Top 10% Admissions in the Borderlands: Access and Success of Borderland Top Students at Texas Public Universities

ERIC Educational Resources Information Center

Rodríguez, Cristóbal

2016-01-01

This study focuses on Texas Borderland students admitted through the Texas Top 10% admissions policy, which assumes that Top 10% students are college ready for any public university and provides Top 10% high school graduates automatic admission to any 4-year public university in Texas. Using descriptive and inferential statistics, results…

In Praise of Top-Down Leadership

ERIC Educational Resources Information Center

Dufour, Richard

2007-01-01

In the ongoing debate of the efficacy of top-down versus bottom-up strategies to improve school districts, top-down is clearly losing. Many district leaders are reluctant to champion improvement for fear of being labeled with the epithet "top-down leader," the unkindest cut of all. In this article, the author presents the change…

Mixed dark matter in left-right symmetric models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Berlin, Asher; Fox, Patrick J.; Hooper, Dan

Motivated by the recently reported diboson and dijet excesses in Run 1 data at ATLAS and CMS, we explore models of mixed dark matter in left-right symmetric theories. In this study, we calculate the relic abundance and the elastic scattering cross section with nuclei for a number of dark matter candidates that appear within the fermionic multiplets of left-right symmetric models. In contrast to the case of pure multiplets, WIMP-nucleon scattering proceeds at tree-level, and hence the projected reach of future direct detection experiments such as LUX-ZEPLIN and XENON1T will cover large regions of parameter space for TeV-scale thermal darkmore » matter. Decays of the heavy charged W' boson to particles in the dark sector can potentially shift the right-handed gauge coupling to larger values when fixed to the rate of the Run 1 excesses, moving towards the theoretically attractive scenario, g R = g L. Furthermore, this region of parameter space may be probed by future collider searches for new Higgs bosons or electroweak fermions.« less

Mixed dark matter in left-right symmetric models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Berlin, Asher; Fox, Patrick J.; Hooper, Dan

Motivated by the recently reported diboson and dijet excesses in Run 1 data at ATLAS and CMS, we explore models of mixed dark matter in left-right symmetric theories. In this study, we calculate the relic abundance and the elastic scattering cross section with nuclei for a number of dark matter candidates that appear within the fermionic multiplets of left-right symmetric models. In contrast to the case of pure multiplets, WIMP-nucleon scattering proceeds at tree-level, and hence the projected reach of future direct detection experiments such as LUX-ZEPLIN and XENON1T will cover large regions of parameter space for TeV-scale thermal darkmore » matter. Decays of the heavy charged W{sup ′} boson to particles in the dark sector can potentially shift the right-handed gauge coupling to larger values when fixed to the rate of the Run 1 excesses, moving towards the theoretically attractive scenario, g{sub R}=g{sub L}. This region of parameter space may be probed by future collider searches for new Higgs bosons or electroweak fermions.« less

An Efficient Quantum Somewhat Homomorphic Symmetric Searchable Encryption

NASA Astrophysics Data System (ADS)

Sun, Xiaoqiang; Wang, Ting; Sun, Zhiwei; Wang, Ping; Yu, Jianping; Xie, Weixin

2017-04-01

In 2009, Gentry first introduced an ideal lattices fully homomorphic encryption (FHE) scheme. Later, based on the approximate greatest common divisor problem, learning with errors problem or learning with errors over rings problem, FHE has developed rapidly, along with the low efficiency and computational security. Combined with quantum mechanics, Liang proposed a symmetric quantum somewhat homomorphic encryption (QSHE) scheme based on quantum one-time pad, which is unconditional security. And it was converted to a quantum fully homomorphic encryption scheme, whose evaluation algorithm is based on the secret key. Compared with Liang's QSHE scheme, we propose a more efficient QSHE scheme for classical input states with perfect security, which is used to encrypt the classical message, and the secret key is not required in the evaluation algorithm. Furthermore, an efficient symmetric searchable encryption (SSE) scheme is constructed based on our QSHE scheme. SSE is important in the cloud storage, which allows users to offload search queries to the untrusted cloud. Then the cloud is responsible for returning encrypted files that match search queries (also encrypted), which protects users' privacy.

Mixed dark matter in left-right symmetric models

DOE PAGES

Berlin, Asher; Fox, Patrick J.; Hooper, Dan; ...

2016-06-08

Motivated by the recently reported diboson and dijet excesses in Run 1 data at ATLAS and CMS, we explore models of mixed dark matter in left-right symmetric theories. In this study, we calculate the relic abundance and the elastic scattering cross section with nuclei for a number of dark matter candidates that appear within the fermionic multiplets of left-right symmetric models. In contrast to the case of pure multiplets, WIMP-nucleon scattering proceeds at tree-level, and hence the projected reach of future direct detection experiments such as LUX-ZEPLIN and XENON1T will cover large regions of parameter space for TeV-scale thermal darkmore » matter. Decays of the heavy charged W' boson to particles in the dark sector can potentially shift the right-handed gauge coupling to larger values when fixed to the rate of the Run 1 excesses, moving towards the theoretically attractive scenario, g R = g L. Furthermore, this region of parameter space may be probed by future collider searches for new Higgs bosons or electroweak fermions.« less

Cylindrically symmetric Fresnel lens for high concentration photovoltaic

NASA Astrophysics Data System (ADS)

Hung, Yu-Ting; Su, Guo-Dung

2009-08-01

High concentration photovoltaic (HCPV) utilizes point-focus cost-effective plastic Fresnel lens. And a millimeter-sized Ill-V compound multi-junction solar cell is placed underneath focusing optics which can achieve cell efficiency potential of up to 40.7 %. The advantage of HCPV makes less solar cell area and higher efficiency; however, the acceptance angle of HCPV is about +/-1°, which is very small and the mechanical tracking of the sun is necessary. In order to reduce the power consumption and the angle tracking error of tracking systems, a light collector model with larger acceptance angle is designed with ZEMAX®. In this model, the original radially symmetric Fresnel lens of HCPV is replaced by cylindrically symmetric Fresnel lens and a parabolic reflective surface. Light is collected in two dimensions separately. And a couple of lenses and a light pipe are added before the solar cell chip in order to collect more light when sun light deviates from incident angle of 00. An acceptance angle of +/-10° is achieved with GCR 400.

PT -symmetric gain and loss in a rotating Bose-Einstein condensate

NASA Astrophysics Data System (ADS)

Haag, Daniel; Dast, Dennis; Cartarius, Holger; Wunner, Günter

2018-03-01

PT -symmetric quantum mechanics allows finding stationary states in mean-field systems with balanced gain and loss of particles. In this work we apply this method to rotating Bose-Einstein condensates with contact interaction which are known to support ground states with vortices. Due to the particle exchange with the environment transport phenomena through ultracold gases with vortices can be studied. We find that even strongly interacting rotating systems support stable PT -symmetric ground states, sustaining a current parallel and perpendicular to the vortex cores. The vortices move through the nonuniform particle density and leave or enter the condensate through its borders creating the required net current.

Remitting seronegative symmetrical synovitis with pitting edema (RS3PE syndrome).

PubMed

Hung, S C; Kung, Y Y; Lin, H Y

1999-07-01

A 63-year-old man presented with acute symmetrical polysynovitis associated with pitting edema of both the hands and feet. He was seronegative for rheumatoid factor and no radiologically evident erosion was noted in the joints of his hands and feet. Evaluation excluded congestive heart failure, nephrotic syndrome, and hypothyroidism as the cause of edema. Treatment with nonsteroidal anti-inflammatory drugs and low-dose steroids induced complete remission. The clinical manifestations of this patients were consistent with those of a distinctive, although rare, form of arthritis called remitting seronegative symmetrical synovitis with pitting edema (RS3PE) syndrome. This syndrome has a good prognosis in elderly patients.

{P}{T}-symmetric interpretation of the electromagnetic self-force

NASA Astrophysics Data System (ADS)

Bender, Carl M.; Gianfreda, Mariagiovanna

2015-08-01

In 1980 Englert examined the classic problem of the electromagnetic self-force on an oscillating charged particle. His approach, which was based on an earlier idea of Bateman, was to introduce a time-reversed (charge-conjugate) particle and to show that the two-particle system is Hamiltonian. Unfortunately, Englert’s model did not solve the problem of runaway modes, and the corresponding quantum theory had ghost states. It is shown here that Englert’s Hamiltonian is {P}{T} symmetric, and that the problems with his model arise because the {P}{T} symmetry is broken at both the classical and the quantum level. However, by allowing the charged particles to interact and by adjusting the coupling parameters to put the model into an unbroken {P}{T}-symmetric region, one eliminates the classical nonrelativistic runaway modes and obtains a corresponding nonrelativistic quantum system that is in equilibrium and ghost free.

Progressive matrix cracking in off-axis plies of a general symmetric laminate

NASA Technical Reports Server (NTRS)

Thomas, David J.; Wetherhold, Robert C.

1993-01-01

A generalized shear-lag model is derived to determine the average through-the-thickness stress state present in a layer undergoing transverse matrix cracking, by extending the method of Lee and Daniels (1991) to a general symmetric multilayered system. The model is capable of considering cracking in layers of arbitrary orientation, states of general in-plane applied loading, and laminates with a general symmetric stacking sequence. The model is included in a computer program designed for probabilistic laminate analysis, and the results are compared to those determined with the ply drop-off technique.

A Search for new particles decaying into top quark anti-top quark pairs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cassada, Josh Aaron

2000-01-01

We use 106 pb -1 of data collected with the Collider Detector at Fermilab to search for narrow-width particles decaying to a top and an anti-top quark. We measure the tmore » $$\\bar{t}$$ invariant mass distribution by requiring that either t or $$\\bar{t}$$ decays semileptonically to an electron or muon and the other decays hadronically.« less

Measurements of top quark properties at CDF

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kraan, Aafke C.; /Pennsylvania U.

The top quark with its mass of about 172 GeV/c{sup 2} is the most massive fundamental particle observed by experiment. In this talk they highlight the most recent measurements of several top quark properties performed with the CDF detector based on data samples corresponding to integrated luminosities up to 1 fb{sup -1}. These results include a search for top quark pair production via new massive resonances, measurements of the helicity of the W boson from top-quark decay, and a direct limit on the lifetime of the top quark.

An approach to crystallizing proteins by metal-mediated synthetic symmetrization

PubMed Central

Laganowsky, Arthur; Zhao, Minglei; Soriaga, Angela B; Sawaya, Michael R; Cascio, Duilio; Yeates, Todd O

2011-01-01

Combining the concepts of synthetic symmetrization with the approach of engineering metal-binding sites, we have developed a new crystallization methodology termed metal-mediated synthetic symmetrization. In this method, pairs of histidine or cysteine mutations are introduced on the surface of target proteins, generating crystal lattice contacts or oligomeric assemblies upon coordination with metal. Metal-mediated synthetic symmetrization greatly expands the packing and oligomeric assembly possibilities of target proteins, thereby increasing the chances of growing diffraction-quality crystals. To demonstrate this method, we designed various T4 lysozyme (T4L) and maltose-binding protein (MBP) mutants and cocrystallized them with one of three metal ions: copper (Cu2+), nickel (Ni2+), or zinc (Zn2+). The approach resulted in 16 new crystal structures—eight for T4L and eight for MBP—displaying a variety of oligomeric assemblies and packing modes, representing in total 13 new and distinct crystal forms for these proteins. We discuss the potential utility of the method for crystallizing target proteins of unknown structure by engineering in pairs of histidine or cysteine residues. As an alternate strategy, we propose that the varied crystallization-prone forms of T4L or MBP engineered in this work could be used as crystallization chaperones, by fusing them genetically to target proteins of interest. PMID:21898649

The modelling of symmetric airfoil vortex generators

NASA Technical Reports Server (NTRS)

Reichert, B. A.; Wendt, B. J.

1996-01-01

An experimental study is conducted to determine the dependence of vortex generator geometry and impinging flow conditions on shed vortex circulation and crossplane peak vorticity for one type of vortex generator. The vortex generator is a symmetric airfoil having a NACA 0012 cross-sectional profile. The geometry and flow parameters varied include angle-of-attack alfa, chordlength c, span h, and Mach number M. The vortex generators are mounted either in isolation or in a symmetric counter-rotating array configuration on the inside surface of a straight pipe. The turbulent boundary layer thickness to pipe radius ratio is delta/R = 0. 17. Circulation and peak vorticity data are derived from crossplane velocity measurements conducted at or about 1 chord downstream of the vortex generator trailing edge. Shed vortex circulation is observed to be proportional to M, alfa, and h/delta. With these parameters held constant, circulation is observed to fall off in monotonic fashion with increasing airfoil aspect ratio AR. Shed vortex peak vorticity is also observed to be proportional to M, alfa, and h/delta. Unlike circulation, however, peak vorticity is observed to increase with increasing aspect ratio, reaching a peak value at AR approx. 2.0 before falling off.

The Top Quark, QCD, And New Physics.

DOE R&D Accomplishments Database

Dawson, S.

2002-06-01

The role of the top quark in completing the Standard Model quark sector is reviewed, along with a discussion of production, decay, and theoretical restrictions on the top quark properties. Particular attention is paid to the top quark as a laboratory for perturbative QCD. As examples of the relevance of QCD corrections in the top quark sector, the calculation of e{sup+}e{sup -}+ t{bar t} at next-to-leading-order QCD using the phase space slicing algorithm and the implications of a precision measurement of the top quark mass are discussed in detail. The associated production of a t{bar t} pair and a Higgs boson in either e{sup+}e{sup -} or hadronic collisions is presented at next-to-leading-order QCD and its importance for a measurement of the top quark Yulrawa coupling emphasized. Implications of the heavy top quark mass for model builders are briefly examined, with the minimal supersymmetric Standard Model and topcolor discussed as specific examples.

Optical detection of symmetric and antisymmetric states in double quantum wells at room temperature

NASA Astrophysics Data System (ADS)

Marchewka, M.; Sheregii, E. M.; Tralle, I.; Marcelli, A.; Piccinini, M.; Cebulski, J.

2009-09-01

We studied the optical reflectivity of a specially grown double quantum well (DQW) structure characterized by a rectangular shape and a high electron density at room temperature. Assuming that the QWs depth is known, reflectivity spectra in the mid-IR range allow to carry out the precise measurements of the SAS-gap values (the energy gap between the symmetric and anti-symmetric states) and the absolute energies of both symmetric and antisymmetric electron states. The results of our experiments are in favor of the existence of the SAS splitting in the DQWs at room temperature. Here we have shown that the SAS gap increases proportionally to the subband quantum number and the optical electron transitions between symmetric and antisymmetric states belonging to different subbands are allowed. These results were used for interpretation of the beating effect in the Shubnikov-de Haas (SdH) oscillations at low temperatures (0.6 and 4.2 K). The approach to the calculation of the Landau-levels energies for DQW structures developed earlier [D. Ploch , Phys. Rev. B 79, 195434 (2009)] is used for the analysis and interpretation of the experimental data related to the beating effect. We also argue that in order to explain the beating effect in the SdH oscillations, one should introduce two different quasi-Fermi levels characterizing the two electron subsystems regarding symmetry properties of their wave functions, symmetric and antisymmetric ones. These states are not mixed neither by electron-electron interaction nor probably by electron-phonon interaction.

Top-Down Beta Enhances Bottom-Up Gamma

PubMed Central

Thompson, William H.

2017-01-01

Several recent studies have demonstrated that the bottom-up signaling of a visual stimulus is subserved by interareal gamma-band synchronization, whereas top-down influences are mediated by alpha-beta band synchronization. These processes may implement top-down control of stimulus processing if top-down and bottom-up mediating rhythms are coupled via cross-frequency interaction. To test this possibility, we investigated Granger-causal influences among awake macaque primary visual area V1, higher visual area V4, and parietal control area 7a during attentional task performance. Top-down 7a-to-V1 beta-band influences enhanced visually driven V1-to-V4 gamma-band influences. This enhancement was spatially specific and largest when beta-band activity preceded gamma-band activity by ∼0.1 s, suggesting a causal effect of top-down processes on bottom-up processes. We propose that this cross-frequency interaction mechanistically subserves the attentional control of stimulus selection. SIGNIFICANCE STATEMENT Contemporary research indicates that the alpha-beta frequency band underlies top-down control, whereas the gamma-band mediates bottom-up stimulus processing. This arrangement inspires an attractive hypothesis, which posits that top-down beta-band influences directly modulate bottom-up gamma band influences via cross-frequency interaction. We evaluate this hypothesis determining that beta-band top-down influences from parietal area 7a to visual area V1 are correlated with bottom-up gamma frequency influences from V1 to area V4, in a spatially specific manner, and that this correlation is maximal when top-down activity precedes bottom-up activity. These results show that for top-down processes such as spatial attention, elevated top-down beta-band influences directly enhance feedforward stimulus-induced gamma-band processing, leading to enhancement of the selected stimulus. PMID:28592697

Maclaurin symmetric mean operators of linguistic intuitionistic fuzzy numbers and their application to multiple-attribute decision-making

NASA Astrophysics Data System (ADS)

Liu, Peide; Qin, Xiyou

2017-11-01

Linguistic intuitionistic fuzzy number (LIFN) is a special intuitionistic fuzzy number which can more easily describe the vagueness existing in the real decision-making. Maclaurin symmetric mean (MSM) operator has the characteristic of considering the interrelationships among any number of input parameters. In this paper, we extended the MSM operator to the LIFNs and some extended MSM operators for LIFNs were proposed, some new decision-making methods were developed. Firstly, we introduced the definition, score function, properties and operational rules of the LIFNs. Then, we proposed some linguistic intuitionistic fuzzy MSM operators, such as linguistic intuitionistic fuzzy Maclaurin symmetric mean operator, weighted linguistic intuitionistic fuzzy Maclaurin symmetric mean (WLIFMSM) operator, linguistic intuitionistic fuzzy dual Maclaurin symmetric mean operator, weighted linguistic intuitionistic fuzzy dual Maclaurin symmetric mean (WLIFDMSM) operator. In the meantime, we studied some important properties of these operators, and developed some methods based on WLIFMSM operator and WLIFDMSM operator for multi-attribute decision-making. Finally, we use an example to demonstrate the effectiveness of the proposed methods.

Target space pseudoduality in supersymmetric sigma models on symmetric spaces

NASA Astrophysics Data System (ADS)

Sarisaman, Mustafa

We discuss the target space pseudoduality in supersymmetric sigma models on symmetric spaces. We first consider the case where sigma models based on real compact connected Lie groups of the same dimensionality and give examples using three dimensional models on target spaces. We show explicit construction of nonlocal conserved currents on the pseudodual manifold. We then switch the Lie group valued pseudoduality equations to Lie algebra valued ones, which leads to an infinite number of pseudoduality equations. We obtain an infinite number of conserved currents on the tangent bundle of the pseudo-dual manifold. Since pseudoduality imposes the condition that sigma models pseudodual to each other are based on symmetric spaces with opposite curvatures (i.e. dual symmetric spaces), we investigate pseudoduality transformation on the symmetric space sigma models in the third chapter. We see that there can be mixing of decomposed spaces with each other, which leads to mixings of the following expressions. We obtain the pseudodual conserved currents which are viewed as the orthonormal frame on the pullback bundle of the tangent space of G˜ which is the Lie group on which the pseudodual model based. Hence we obtain the mixing forms of curvature relations and one loop renormalization group beta function by means of these currents. In chapter four, we generalize the classical construction of pseudoduality transformation to supersymmetric case. We perform this both by component expansion method on manifold M and by orthonormal coframe method on manifold SO( M). The component method produces the result that pseudoduality transformation is not invertible at all points and occurs from all points on one manifold to only one point where riemann normal coordinates valid on the second manifold. Torsion of the sigma model on M must vanish while it is nonvanishing on M˜, and curvatures of the manifolds must be constant and the same because of anticommuting grassmann numbers. We obtain

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.

Graphene via Molecule-Assisted Ultrasound-Induced Liquid-Phase Exfoliation: A Supramolecular Approach

NASA Astrophysics Data System (ADS)

Eredia, Matilde; Ciesielski, Artur; Samorì, Paolo

2016-12-01

Graphene is a two-dimensional (2D) material holding unique optical, mechanical, thermal and electrical properties. The combination of these exceptional characteristics makes graphene an ideal model system for fundamental physical and chemical studies as well as technologically ground breaking material for a large range of applications. Graphene can be produced either following a bottom-up or top-down method. The former is based on the formation of covalent networks suitably engineered molecular building blocks undergoing chemical reaction. The latter takes place through the exfoliation of bulk graphite into individual graphene sheets. Among them, ultrasound-induced liquid-phase exfoliation (UILPE) is an appealing method, being very versatile and applicable to different environments and on various substrate types. In this chapter, we describe the recently reported methods to produce graphene via molecule-assisted UILPE of graphite, aiming at the generation of high-quality graphene. In particular, we will focus on the supramolecular approach, which consists in the use of suitably designed organic molecules during the UILPE of graphite. These molecules act as graphene dispersion-stabilizing agents during the exfoliation. This method relying on the joint effect of a solvent and ad hoc molecules to foster the exfoliation of graphite into graphene in liquid environment represents a promising and modular method toward the improvement of the process of UILPE in terms of the concentration and quality of the exfoliated material. Furthermore, exfoliations in aqueous and organic solutions are presented and discussed separately.

First-Principles Study of the Self-Assembled Pentacene Molecules on Metal Surfaces

NASA Astrophysics Data System (ADS)

Lee, Kyuho; Han, Myung-Joon; Yu, Jaejun

2003-03-01

Oriented thin films of organic semiconducting small molecules have received considerable attention as active semiconductors for device applications such as Schottky diodes and thin-film transistors (TFTs). Among these organic materials, pentacene has been found to have the highest mobilities for hole transport. Understanding the formation of self-organized ad-layers of pentacene would contribute to the fabrication of nanostructures and possibly highly oriented pentacene layers by epitaxy for use in electronic devices. To understand the ordering patterns of pentacene ad-layers on metal surfaces, we investigated the energetics between pentacene molecules with and without metal substrates and analyzed its electronic structure. We used a self-consistent first-principles calculation method based on the density functional theory (DFT) within local density approximation (LDA). The localized pseudo-atomic orbitals (PAO) are employed for a real-space numerical basis set, which was suggested by Sankey and Niklewski, and the Troullier-Martins-type pseudo-potential is used. As results, we found that the ordering patterns can be explained by the energetics between pentacene molecules, and the metal substrates appears not to influence too much on the interaction between pentacenes. To investigate the nature of the self-assembled structure, we calculated the total energies of various configurations for the molecule pattern, e.g., side-by-side and head-to-head ordering or on-top stacking. Depending on its direction, extremely different interaction character between two pentacenes is found and explained by its electronic structure analysis.

Fully Characterizing Axially Symmetric Szekeres Models with Three Data Sets

NASA Astrophysics Data System (ADS)

Célérier, Marie-Nöelle Mishra, Priti; Singh, Tejinder P.

2015-01-01

Inhomogeneous exact solutions of General Relativity with zero cosmological constant have been used in the literature to challenge the ΛCDM model. From one patch Lemaître-Tolman-Bondi (LTB) models to axially symmetric quasi-spherical Szekeres (QSS) Swiss-cheese models, some of them are able to reproduce to a good accuracy the cosmological data. It has been shown in the literature that a zero Λ LTB model with a central observer can be fully determined by two data sets. We demonstrate that an axially symmetric zero Λ QSS model with an observer located at the origin can be fully reconstructed from three data sets, number counts, luminosity distance and redshift drift. This is a first step towards a future demonstration involving five data sets and the most general Szekeres model.

Controlled synthesis of organic single-crystalline nanowires via the synergy approach of the bottom-up/top-down processes.

PubMed

Zhuo, Ming-Peng; Zhang, Ye-Xin; Li, Zhi-Zhou; Shi, Ying-Li; Wang, Xue-Dong; Liao, Liang-Sheng

2018-03-15

The controlled fabrication of organic single-crystalline nanowires (OSCNWs) with a uniform diameter in the nanoscale via the bottom-up approach, which is just based on weak intermolecular interaction, is a great challenge. Herein, we utilize the synergy approach of the bottom-up and the top-down processes to fabricate OSCNWs with diameters of 120 ± 10 nm through stepwise evolution processes. Specifically, the evolution processes vary from the self-assembled organic micro-rods with a quadrangular pyramid-like end-structure bounded with {111}s and {11-1}s crystal planes to the "top-down" synthesized organic micro-rods with the flat cross-sectional {002}s plane, to the organic micro-tubes with a wall thickness of ∼115 nm, and finally to the organic nanowires. Notably, the anisotropic etching process caused by the protic solvent molecules (such as ethanol) is crucial for the evolution of the morphology throughout the whole top-down process. Therefore, our demonstration opens a new avenue for the controlled-fabrication of organic nanowires, and also contributes to the development of nanowire-based organic optoelectronics such as organic nanowire lasers.

The Ups and Downs of Repeated Cleavage and Internal Fragment Production in Top-Down Proteomics.

PubMed

Lyon, Yana A; Riggs, Dylan; Fornelli, Luca; Compton, Philip D; Julian, Ryan R

2018-01-01

Analysis of whole proteins by mass spectrometry, or top-down proteomics, has several advantages over methods relying on proteolysis. For example, proteoforms can be unambiguously identified and examined. However, from a gas-phase ion-chemistry perspective, proteins are enormous molecules that present novel challenges relative to peptide analysis. Herein, the statistics of cleaving the peptide backbone multiple times are examined to evaluate the inherent propensity for generating internal versus terminal ions. The raw statistics reveal an inherent bias favoring production of terminal ions, which holds true regardless of protein size. Importantly, even if the full suite of internal ions is generated by statistical dissociation, terminal ions are predicted to account for at least 50% of the total ion current, regardless of protein size, if there are three backbone dissociations or fewer. Top-down analysis should therefore be a viable approach for examining proteins of significant size. Comparison of the purely statistical analysis with actual top-down data derived from ultraviolet photodissociation (UVPD) and higher-energy collisional dissociation (HCD) reveals that terminal ions account for much of the total ion current in both experiments. Terminal ion production is more favored in UVPD relative to HCD, which is likely due to differences in the mechanisms controlling fragmentation. Importantly, internal ions are not found to dominate from either the theoretical or experimental point of view. Graphical abstract ᅟ.

The Ups and Downs of Repeated Cleavage and Internal Fragment Production in Top-Down Proteomics

NASA Astrophysics Data System (ADS)

Lyon, Yana A.; Riggs, Dylan; Fornelli, Luca; Compton, Philip D.; Julian, Ryan R.

2018-01-01

Analysis of whole proteins by mass spectrometry, or top-down proteomics, has several advantages over methods relying on proteolysis. For example, proteoforms can be unambiguously identified and examined. However, from a gas-phase ion-chemistry perspective, proteins are enormous molecules that present novel challenges relative to peptide analysis. Herein, the statistics of cleaving the peptide backbone multiple times are examined to evaluate the inherent propensity for generating internal versus terminal ions. The raw statistics reveal an inherent bias favoring production of terminal ions, which holds true regardless of protein size. Importantly, even if the full suite of internal ions is generated by statistical dissociation, terminal ions are predicted to account for at least 50% of the total ion current, regardless of protein size, if there are three backbone dissociations or fewer. Top-down analysis should therefore be a viable approach for examining proteins of significant size. Comparison of the purely statistical analysis with actual top-down data derived from ultraviolet photodissociation (UVPD) and higher-energy collisional dissociation (HCD) reveals that terminal ions account for much of the total ion current in both experiments. Terminal ion production is more favored in UVPD relative to HCD, which is likely due to differences in the mechanisms controlling fragmentation. Importantly, internal ions are not found to dominate from either the theoretical or experimental point of view. [Figure not available: see fulltext.

LANZ: Software solving the large sparse symmetric generalized eigenproblem

NASA Technical Reports Server (NTRS)

Jones, Mark T.; Patrick, Merrell L.

1990-01-01

A package, LANZ, for solving the large symmetric generalized eigenproblem is described. The package was tested on four different architectures: Convex 200, CRAY Y-MP, Sun-3, and Sun-4. The package uses a Lanczos' method and is based on recent research into solving the generalized eigenproblem.

Electroluminescence of fluorescent-phosphorescent organic light-emitting diodes with regular, inverted, and symmetrical structures

NASA Astrophysics Data System (ADS)

Yang, Su-Hua; Shih, Po-Jen; Wu, Wen-Jie

2014-11-01

The influence of the device structure on the electroluminescence (EL) properties of fluorescent-phosphorescent organic light emitting diodes (OLEDs) was demonstrated. Four devices with regular-, inverted-, compensated- and symmetrical-emission layers (EMLs) were prepared. In regular-EML device, DCJTB emission increased when the phosphorescent sensitized EML was thickened. In inverted-EML device, low electron energy barrier at the Bphen/BCzVB interface resulted in weakened blue emission. The compensated-EML device, prepared with a red color-compensated layer, showed a color-tunable broadband white emission. Conversely, device with a quantum-like symmetrical-EML showed a narrow color-temperature range. Stable EL efficiency was obtained from regular, compensated, and symmetrical-EML devices. In contrast, EL efficiency of inverted-EML device rolled off significantly, though it had the highest EL efficiency of 11.4 cd/A.

Higher order explicit symmetric integrators for inseparable forms of coordinates and momenta

NASA Astrophysics Data System (ADS)

Liu, Lei; Wu, Xin; Huang, Guoqing; Liu, Fuyao

2016-06-01

Pihajoki proposed the extended phase-space second-order explicit symmetric leapfrog methods for inseparable Hamiltonian systems. On the basis of this work, we survey a critical problem on how to mix the variables in the extended phase space. Numerical tests show that sequent permutations of coordinates and momenta can make the leapfrog-like methods yield the most accurate results and the optimal long-term stabilized error behaviour. We also present a novel method to construct many fourth-order extended phase-space explicit symmetric integration schemes. Each scheme represents the symmetric production of six usual second-order leapfrogs without any permutations. This construction consists of four segments: the permuted coordinates, triple product of the usual second-order leapfrog without permutations, the permuted momenta and the triple product of the usual second-order leapfrog without permutations. Similarly, extended phase-space sixth, eighth and other higher order explicit symmetric algorithms are available. We used several inseparable Hamiltonian examples, such as the post-Newtonian approach of non-spinning compact binaries, to show that one of the proposed fourth-order methods is more efficient than the existing methods; examples include the fourth-order explicit symplectic integrators of Chin and the fourth-order explicit and implicit mixed symplectic integrators of Zhong et al. Given a moderate choice for the related mixing and projection maps, the extended phase-space explicit symplectic-like methods are well suited for various inseparable Hamiltonian problems. Samples of these problems involve the algorithmic regularization of gravitational systems with velocity-dependent perturbations in the Solar system and post-Newtonian Hamiltonian formulations of spinning compact objects.

The fabrication of small molecule organic light-emitting diode pixels by laser-induced forward transfer

NASA Astrophysics Data System (ADS)

Shaw-Stewart, J. R. H.; Mattle, T.; Lippert, T. K.; Nagel, M.; Nüesch, F. A.; Wokaun, A.

2013-01-01

Laser-induced forward transfer (LIFT) is a versatile organic light-emitting diode (OLED) pixel deposition process, but has hitherto been applied exclusively to polymeric materials. Here, a modified LIFT process has been used to fabricate small molecule Alq3 organic light-emitting diodes (SMOLEDs). Small molecule thin films are considerably more mechanically brittle than polymeric thin films, which posed significant challenges for LIFT of these materials. The LIFT process presented here uses a polymeric dynamic release layer, a reduced environmental pressure, and a well-defined receiver-donor gap. The Alq3 pixels demonstrate good morphology and functionality, even when compared to conventionally fabricated OLEDs. The Alq3 SMOLED pixel performances show a significant amount of fluence dependence, not observed with polymerical OLED pixels made in previous studies. A layer of tetrabutyl ammonium hydroxide has been deposited on top of the aluminium cathode, as part of the donor substrate, to improve electron injection to the Alq3, by over 600%. These results demonstrate that this variant of LIFT is applicable for the deposition of functional small molecule OLEDs as well as polymeric OLEDs.

Analysis and Design of Symmetrical Capacitor Diode Voltage Multiplier Driven by LCL-T Resonant Converter

NASA Astrophysics Data System (ADS)

Malviya, Devesh; Borage, Mangesh Balkrishna; Tiwari, Sunil

2017-12-01

This paper investigates the possibility of application of Resonant Immittance Converters (RICs) as a current source for the current-fed symmetrical Capacitor-Diode Voltage Multiplier (CDVM) with LCL-T Resonant Converter (RC) as an example. Firstly, detailed characterization of the current-fed symmetrical CDVM is carried out using repeated simulations followed by the normalization of the simulation results in order to derive the closed-form curve fit equations to predict the operating modes, output voltage and ripple in terms of operating parameters. RICs, due to their ability to convert voltage source into a current source, become a possible candidate for the realization of current source for the current-fed symmetrical CDVM. Detailed analysis, optimization and design of LCL-T RC with CDVM is performed in this paper. A step by step design procedure for the design of CDVM and the converter is proposed. A 5-stage prototype symmetrical CDVM driven by LCL-T RC to produce 2.5 kV, 50 mA dc output voltage is designed, built and tested to validate the findings of the analysis and simulation.

Symmetrical lupoid onychodystrophy in dogs: a retrospective analysis of 18 cases (1989-1993).