WorldWideScience

Sample records for randomly oriented molecules

  1. Molecule-oriented programming in Java

    NARCIS (Netherlands)

    Bergstra, J.A.

    2002-01-01

    Molecule-oriented programming is introduced as a programming style carrying some perspective for Java. A sequence of examples is provided. Supporting the development of the molecule-oriented programming style several matters are introduced and developed: profile classes allowing the representation

  2. NMR studies of oriented molecules

    Energy Technology Data Exchange (ETDEWEB)

    Sinton, S.W.

    1981-11-01

    Deuterium and proton magnetic resonance are used in experiments on a number of compounds which either form liquid crystal mesophases themselves or are dissolved in a liquid crystal solvent. Proton multiple quantum NMR is used to simplify complicated spectra. The theory of nonselective multiple quantum NMR is briefly reviewed. Benzene dissolved in a liquid crystal are used to demonstrate several outcomes of the theory. Experimental studies include proton and deuterium single quantum (..delta..M = +-1) and proton multiple quantum spectra of several molecules which contain the biphenyl moiety. 4-Cyano-4'-n-pentyl-d/sub 11/-biphenyl (5CB-d/sub 11/) is studied as a pure compound in the nematic phase. The obtained chain order parameters and dipolar couplings agree closely with previous results. Models for the effective symmetry of the biphenyl group in 5CB-d/sub 11/ are tested against the experimental spectra. The dihedral angle, defined by the planes containing the rings of the biphenyl group, is found to be 30 +- 2/sup 0/ for 5DB-d/sub 11/. Experiments are also described for 4,4'-d/sub 2/-biphenyl, 4,4' - dibromo-biphenyl, and unsubstituted biphenyl.

  3. Oriented Molecule Interactions with Atoms and Surfaces.

    Science.gov (United States)

    Mackay, R. Scott

    Mutual orientation of reagents is second only to the energy requirement for a chemical reaction to take place. Since the introduction of the hexapole field focusing and orientation of symmetric-top molecules in 1965, considerable insight has been gained on the role of orientation in reactive scattering dynamics. The degree of laboratory orientation has been measured for (CH_3) _3CBr and has been found to follow the sequence (CH_3)_3CBr > (CH_3) _3CI > CH_3 I for previous measurements. Oriented molecule beams of thirteen different molecules have been scattered by a graphite(0001) surface. The results show a large diversity in the sign and magnitude of the steric effect (i.e., "heads" vs. "tails"). It appears from the bulk of data that the origin of the steric effect is the anisotropic molecule-graphite interaction potential, which is governed by the charge density distribution of the molecule. The steric effects have been quantitatively measured for seven of the molecules and have been analyzed in terms of a two component model which yields estimates for the anisotropy of the trapping probability. An effusive oven of Sr was used in a crossed beam reaction of Sr + CH_3I. In order to detect weak product signal, a sensitive detection technique utilizing single photon ionization of the reaction product was developed. By changing the relative velocity of the reactants, the excitation function (reactive cross section vs. collision energy) was measured. The experimental results were simulated by a modified angle dependent line -of-centers model, which gives the reaction potential energy surface. Excitation functions of other alkyl halides reactions, Sr + RX (R = H, CH_3, C_2H _5,C_3H_7, C_4H_9; X = Br, I), were also explored.

  4. Field-free orientation of molecules

    DEFF Research Database (Denmark)

    Machholm, Mette; Henriksen, Niels Engholm

    2001-01-01

    The excitation of angular motion, in particular, the creation of a wave packet in the angular degrees of freedom via short-pulse, off-resonant excitation with respect to rotational transitions, was examined. The key result was that field-free time-dependent orientation for a molecule like LiH can...

  5. Orientation control of dye molecules in a liquid crystal.

    Science.gov (United States)

    Urisu, T; Kajiyama, K; Mizushima, Y

    1978-08-01

    Laser dye molecules (coumarin 6) were dissolved in a nematic liquid crystal MBBA + BBCA. Great changes in polarization and fluorescence vs applied voltage were found as well as a change in dielectric constant. Molecular orientation of the liquid crystal under the electric field and association of the dye molecules are identified as having the greatest effect on the fluorescence intensity.

  6. Orientation dependence for Br formation in the reaction of oriented OH radical with HBr molecule.

    Science.gov (United States)

    Tsai, Po-Yu; Che, Dock-Chil; Nakamura, Masaaki; Lin, King-Chuen; Kasai, Toshio

    2011-01-28

    The orientation dependence of Br-atom formation in the reaction of the oriented OH radical with the HBr molecule using the hexapole electrostatic field was studied. Experimental results for the orientation dependence in the reaction were analyzed using a Legendre polynomial fit. The results show two reactive sites. It was found that O-end attack is most favored for this reaction, and that H-end attack also shows a pronounced reactivity. The reactivity of the side-ways attack was found to be small. By comparing the results of the orientation dependence in the reaction with studies of inelastic collisions and theoretical calculations, two reaction pathways are proposed. Reaction by O-end attack is followed by a direct abstraction of the H-atom from the HBr molecule. The mechanism for H-end attack may have H-atom migration from HBr to form the water molecule.

  7. Orienting polar molecules without hexapoles: Optical state selection with adiabatic orientation

    Science.gov (United States)

    Schäfer, Tim; Bartels, Nils; Hocke, Nils; Yang, Xueming; Wodtke, Alec M.

    2012-05-01

    A pedagogic review of technology used to orient polar molecules is presented to place in context the report of a new approach to this problem. Laboratory frame orientation of polar molecules is achieved by state-specific optical pumping in a region free of electric fields followed by adiabatic transport into a static electric field. This approach overcomes some of the limitations of the more common hexapole focusing method. In particular the method is nearly insensitive to the kinetic energy of the sample. We demonstrate production of oriented samples of NO (μel = 0.15 D) with translational energies above 1 eV in both high- and low-field seeking states. The method can be extended to many other classes of molecules, including near symmetric tops and ions.

  8. Photodissociation of Oriented Molecule Beams and Reactive Scattering

    Science.gov (United States)

    Xu, Qixun

    The requirement of proper mutual orientation of reagents is second only to the energy requirement for chemical reaction to take place. Since the introduction of hexapole field focusing and orientation of symmetric-top molecule in 1965, considerable insight has been gained on the role of orientation in reactive scattering dynamics. To achieve a more quantitative understanding of the steric effect in reactive scattering, a pulsed supersonic molecular beam machine with a 3-meter long, electrostatic hexapole field has been constructed. Focusing and rotational state selection has been achieved for prolate symmetric-top molecules, such as CH_3X (X = F, Cl, Br and I). Partial state selection has been achieved for oblate symmetric-top molecules. Various polar asymmetric top molecules have also been focused, as well as the pseudo -symmetric tops, (CH_3)_3 CI and (CH_3)_3 CBr. These molecules have been studied in some detail. They have been focused and oriented with a homogeneous field. The degree of laboratory orientation has been measured for the first time with a newly developed polarized laser photofragmentation technique. It is found that the goodness of orientation achievable has the following sequence: (CH_3 )_3CBr > (CH_3)_3CI > CH_3I. Various techniques of producing reactive atomic beams have been explored and tested, including a seeded supersonic nozzle metal beam source, a seeded laser evaporation metal beam source, a Cl atom source utilizing microwave discharge, and an effusive metal beam oven. The effusive oven of Sr produces very stable beams and has therefore been used in a study of the crossed beam reaction of Sr + CH_3I. In order to detect weak product signal (SrI) from the crossed-beam reaction, a sensitive detection technique has been developed utilizing single photon ionization of SrI with 193 nm excimer laser radiation and time-of-flight mass spectrometry. The SrI^{+} signal is readily detected. The much stronger Sr^{+} ion beam (from the photoionization

  9. Nano-sensing of the orientation of fluorescing molecules with active coated nano-particles

    DEFF Research Database (Denmark)

    Arslanagic, Samel; Ziolkowski, Richard W.

    2015-01-01

    The potential of using active coated nano-particles to determine the orientation of fluorescing molecules is reported. By treating each fluorescing molecule as an electric Hertzian dipole, single and multiple fluorescing molecules emitting coherently and incoherently in various orientations...... are considered in the presence of active coated nano-particles. It is demonstrated that in addition to offering a means to determine the orientation of a single molecule or the over-all orientation of the molecules surrounding it, the nature of the far-field response from the active coated nano-particles...

  10. Measurement of the orientation of buffer-gas-cooled, electrostatically-guided ammonia molecules

    Science.gov (United States)

    Steer, Edward W.; Petralia, Lorenzo S.; Western, Colin M.; Heazlewood, Brianna R.; Softley, Timothy P.

    2017-02-01

    The extent to which the spatial orientation of internally and translationally cold ammonia molecules can be controlled as molecules pass out of a quadrupole guide and through different electric field regions is examined. Ammonia molecules are collisionally cooled in a buffer gas cell, and are subsequently guided by a three-bend electrostatic quadrupole into a detection chamber. The orientation of ammonia molecules is probed using (2 + 1) resonance-enhanced multiphoton ionisation (REMPI), with the laser polarisation axis aligned both parallel and perpendicular to the time-of-flight axis. Even with the presence of a near-zero field region, the ammonia REMPI spectra indicate some retention of orientation. Monte Carlo simulations propagating the time-dependent Schrödinger equation in a full basis set including the hyperfine interaction enable the orientation of ammonia molecules to be calculated - with respect to both the local field direction and a space-fixed axis - as the molecules pass through different electric field regions. The simulations indicate that the orientation of ∼95% of ammonia molecules in JK =11 could be achieved with the application of a small bias voltage (17 V) to the mesh separating the quadrupole and detection regions. Following the recent combination of the buffer gas cell and quadrupole guide apparatus with a linear Paul ion trap, this result could enable one to examine the influence of molecular orientation on ion-molecule reaction dynamics and kinetics.

  11. Simultaneous measurement of orientational and spectral dynamics of single molecules in nanostructured host-guest materials.

    Science.gov (United States)

    Jung, Christophe; Hellriegel, Christian; Platschek, Barbara; Wöhrle, Dieter; Bein, Thomas; Michaelis, Jens; Bräuchle, Christoph

    2007-05-02

    Nanostructured host-guest materials are important for various applications in nanoscience, and therefore, a thorough understanding of the dynamics of the guest molecules within the host matrix is needed. To this aim we used single-molecule fluorescence techniques to simultaneously examine the spectral and the orientational behavior of single molecules in nanostructured porous host materials. Two types of host-guest systems have been investigated. First, oxazine-1 dye molecules were fixed rigidly in the channels of microporous AlPO4-5 crystals. Second, it was shown that terrylenediimide (TDI) dye molecules move in the mesoporous network of an uncalcined M41S thin film. In the first sample both spectral fluctuations ( approximately 5 nm) and rare spectral jumps (>10 nm) of the emission maximum were observed. However, the orientation of the emission dipole of the dye molecules remained constant. In contrast, the second system showed orientational dynamics as well as substantially more spectral dynamics. In this system the molecules were found to move between different regions in the host. The typical motion of the TDI molecules in the pores of M41S was not continuous but characterized by jumps between specific sites. Moreover, the spectral and orientational dynamics were correlated and arose directly from the different environments that were being explored by the mobile molecule.

  12. Oriented xenon hydride molecules in the gas phase

    Czech Academy of Sciences Publication Activity Database

    Buck, U.; Fárník, Michal

    2006-01-01

    Roč. 25, č. 4 (2006), s. 583-612 ISSN 0144-235X Grant - others:Deutsche Forschungsgemeinschaft(DE) SFB 357 Institutional research plan: CEZ:AV0Z40400503 Keywords : photofragment translational spectroscopy * charge transfer molecules * low temperature matrices * neutral rare-gas Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 6.036, year: 2006

  13. Quantum state selection of polar molecules: Alignment, orientation and conformational control

    Science.gov (United States)

    Stapelfeldt, Henrik

    2009-05-01

    Building on ideas that go back to Stern in the 1920s we use an inhomogeneous static electric field to deflect a cold beam of polar molecules. The deflection spatially disperses the rotational quantum states of the molecules. We show that the molecules residing in the lowest-lying rotational states can be selected and used as targets for further experiments. In particular, the quantum-state-selected molecules enable unprecedented strong alignment, induced by a moderately intense laser pulse, as well as strong orientation induced by a mixed laser and static electric field. Here, alignment refers to confinement of one or more molecule-fixed axes along laboratory-fixed axes, and orientation refers to the molecular dipole moments pointing in a specific direction. Also, it is shown that the deflection enables separation of the different conformers of a single molecule. We discuss new opportunities offered by the enhanced degree of orientational control, made possibly by quantum state selection, including time resolved studies of torsion, and eventually enantiomeric conversion, of axially chiral molecules. Collaborators: J. Küpper, G. Meijer, L. B. Madsen. [4pt] [1] Laser-Induced Alignment and Orientation of Quantum-State-Selected Large Molecules, L. Holmegaard, J. H. Nielsen, I. Nevo, H. Stapelfeldt, F. Filsinger, J. Küpper, and G. Meijer, Phys. Rev. Lett. 102. 023001 (2009).

  14. Ionization of oriented carbonyl sulfide molecules by intense circularly polarized laser pulses

    DEFF Research Database (Denmark)

    Dimitrovski, Darko; Abu-Samha, Mahmoud; Madsen, Lars Bojer

    2011-01-01

    We present combined experimental and theoretical results on strong-field ionization of oriented carbonyl sulfide molecules by circularly polarized laser pulses. The obtained molecular frame photoelectron angular distributions show pronounced asymmetries perpendicular to the direction...... of the molecular electric dipole moment. These findings are explained by a tunneling model invoking the laser-induced Stark shifts associated with the dipoles and polarizabilities of the molecule and its unrelaxed cation. The focus of the present article is to understand the strong-field ionization of one......-dimensionally-oriented polar molecules, in particular asymmetries in the emission direction of the photoelectrons. In the following article [Phys. Rev. A 83, 023406 (2011)] the focus is to understand strong-field ionization from three-dimensionally-oriented asymmetric top molecules, in particular the suppression of electron...

  15. Scattering from randomly oriented scatterers with strong permittivity fluctuations

    Science.gov (United States)

    Yueh, S. H.; Kong, J. A.; Shin, R. T.

    1990-01-01

    Strong permittivity fluctuation theory is used to solve the problem of scattering from a medium composed of completely randomly oriented scatterers under a low frequency limit. Gaussian statistics are not assumed for the renormalized scattering sources. Numerical results on effective permittivity are illustrated for oblate and prolate spheroidal scatterers and compared with the results for spherical scatterers. The results are consistent with discrete scatterer theory. The effective permittivity of a random medium embedded with nonspherical scatterers shows a higher imaginary part than the spherical scatterer case with equal correlation volume. Under the distorted Born approximation, the polarimetric covariance matrix for the backscattered electric field is calculated for half-space randomly oriented scatterers. The nonspherical geometry of the scatterers shows significant effects on the cross-polarized backscattering returns, and the correlation coefficient between HH and VV returns. The polarimetric backscattering coefficients can provide useful information in distinguishing the geometry of scatterers.

  16. Real-Space x-ray tomographic reconstruction of randomly oriented objects with sparse data frames.

    Science.gov (United States)

    Ayyer, Kartik; Philipp, Hugh T; Tate, Mark W; Elser, Veit; Gruner, Sol M

    2014-02-10

    Schemes for X-ray imaging single protein molecules using new x-ray sources, like x-ray free electron lasers (XFELs), require processing many frames of data that are obtained by taking temporally short snapshots of identical molecules, each with a random and unknown orientation. Due to the small size of the molecules and short exposure times, average signal levels of much less than 1 photon/pixel/frame are expected, much too low to be processed using standard methods. One approach to process the data is to use statistical methods developed in the EMC algorithm (Loh & Elser, Phys. Rev. E, 2009) which processes the data set as a whole. In this paper we apply this method to a real-space tomographic reconstruction using sparse frames of data (below 10(-2) photons/pixel/frame) obtained by performing x-ray transmission measurements of a low-contrast, randomly-oriented object. This extends the work by Philipp et al. (Optics Express, 2012) to three dimensions and is one step closer to the single molecule reconstruction problem.

  17. Differential cross sections for the ionization of oriented H2 molecules by electron-impact

    Energy Technology Data Exchange (ETDEWEB)

    Colgan, James P [Los Alamos National Laboratory; Pindzola, M S [AUBURN UNIV; Kaiser, C [UNIV MANCHESTER; Madison, D H [MISSOURI INST.; Robicheaux, F [AUBURN UNIV; Balance, J [ROLLINS COLLEGE

    2008-01-01

    A nonperturbative close-coupling technique is used to calculate differential cross sections for the electron-impact ionization of H{sub 2} at an energy of 35.4 eV. Our approach allows cross sections for any orientation of the molecule with respect to the incident electron beam to be analyzed. New features in the resulting cross sections are found compared with the case where the molecular orientation is averaged, and also with cross sections for He at equivalent electron kinematics. When averaged over all possible molecular orientations, good agreement is found with recent experimental results.

  18. Photoelectron angular distributions from strong-field ionization of oriented molecules

    DEFF Research Database (Denmark)

    Holmegaard, Lotte; Hansen, Jonas Lerche; Kalhøj, Line

    2010-01-01

    ionization, which is limited to species and processes where ionization leads to fragmentation. An alternative is to fix the molecular frame before ionization. The only demonstrations of such spatial orientation involved aligned small linear nonpolar molecules. Here we extend these techniques to the general...

  19. Spectroscopic properties and orientation of molecules in Langmuir-Blodgett layers of selected functionalized fullerenes.

    Science.gov (United States)

    Lewandowska, Kornelia; Barszcz, Boleslaw; Graja, Andrzej; Nam, Sun Young; Han, Yi-Seul; Kim, Tae-Dong; Lee, Kwang-Sup

    2014-01-24

    Vibrational properties of two fullerene derivatives: C60TZ-OT-5 (1) and C60TH-3HX (2) have been studied using infrared absorption and Raman scattering spectroscopies. Additionally, quantum chemical calculations of the equilibrium geometry and normal mode vibrations of these functionalized fullerenes were performed. It was stated that despite of distinct structural differences between the investigated molecules, their experimental spectra are quite similar and correspond well with the calculated ones. The orientation of the molecules in the Langmuir-Blodgett films was evaluated. Copyright © 2013. Published by Elsevier B.V.

  20. Hydroxyl and water molecule orientations in trypsin: Comparison to molecular dynamics structures

    Energy Technology Data Exchange (ETDEWEB)

    McDowell, R.S.; Kossiakoff, A.A. [Genentech, Inc., South San Francisco, CA (United States)

    1994-12-31

    A comparison is presented of experimentally observed hydroxyl and water hydrogens in trypsin determined from neutron density maps with the results of a 140ps molecular dynamics (MD) simulation. Experimental determination of hydrogen and deuterium atom positions in molecules as large as proteins is a unique capability of neutron diffraction. The comparison addresses the degree to which a standard force-field approach can adequately describe the local electrostatic and van der Waals forces that determine the orientations of these hydrogens. Neutron densities, derived from 2.1{Angstrom} D{sub 2}O-H{sub 2}O difference Fourier maps, provide a database of 27 well-ordered hydroxyl hydrogens. Most of the simulated hydroxyl orientations are within a standard deviation of the experimentally-observed positions, including several examples in which both the simulation and the neutron density indicate that a hydroxyl group is shifted from a {open_quote}standard{close_quote} rotamer. For the most highly ordered water molecules, the hydrogen distributions calculated from the trajectory were in good agreement with neutron density; simulated water molecules that displayed multiple hydrogen bonding networks had correspondingly broadened neutron density profiles. This comparison was facilitated by development of a method to construct a pseudo 2{Angstrom} density map based on the hydrogen atom distributions from the simulation. The degree of disorder of internal water molecules is shown to result primarily from the electrostatic environment surrounding that water molecule as opposed to the cavity size available to the molecule. A method is presented for comparing the discrete observations sampled in a dynamics trajectory with the time- averaged data obtained from X-ray or neutron diffraction studies. This method is particularly useful for statically-disordered water molecules, in which the average location assigned from a trajectory may represent a site of relatively low occupancy.

  1. Failure process in heterogeneous materials with randomly oriented fibers

    Science.gov (United States)

    Sbiaai, H.; Hader, A.; Bakir, R.; Achik, I.; Tarras, I.; Boughaleb, Y.

    2017-06-01

    Our aim in this study is to investigate the failure process in heterogeneous materials with randomly oriented fibers. In our proposed system, the fiber bundle model assumes that all the fibers are randomly oriented in all directions relative to the vertical one. Our calculations are performed in the framework of the local load-sharing rule, which states that the applied load of a broken fiber is redistributed only to its neighboring ones. The results show that this system presents a greater resistance than the classical one where the fibers are arranged parallel to the applied load. We found that the density of the broken fibers exhibited a power law and was linearly correlated with the applied load and temperature. However, the results show that the failure process of the considered system is characterized by an avalanche phenomenon with two different regimes. We also studied the crossover behavior of lifetime of the materials versus both applied load and temperature. We compared these results with those obtained from the classical model.

  2. Single Molecule 3D Orientation in Time and Space: A 6D Dynamic Study on Fluorescently Labeled Lipid Membranes

    DEFF Research Database (Denmark)

    Börner, Richard; Ehrlich, Nicky; Hohlbein, Johannes

    2016-01-01

    Interactions between single molecules profoundly depend on their mutual three-dimensional orientation. Recently, we demonstrated a technique that allows for orientation determination of single dipole emitters using a polarization-resolved distribution of fluorescence into several detection channels...... interesting in non-isotropic environments such as lipid membranes, which are of great importance in biology. We used giant unilamellar vesicles (GUVs) labeled with fluorescent dyes down to a single molecule concentration as a model system for both, assessing the robustness of the orientation determination....... As the method is based on the detection of single photons, it additionally allows for performing fluorescence correlation spectroscopy (FCS) as well as dynamical anisotropy measurements thereby providing access to fast orientational dynamics down to the nanosecond time scale. The 3D orientation is particularly...

  3. Relative orientation of collagen molecules within a fibril: a homology model for homo sapiens type I collagen.

    Science.gov (United States)

    Collier, Thomas A; Nash, Anthony; Birch, Helen L; de Leeuw, Nora H

    2018-02-15

    Type I collagen is an essential extracellular protein that plays an important structural role in tissues that require high tensile strength. However, owing to the molecule's size, to date no experimental structural data are available for the Homo sapiens species. Therefore, there is a real need to develop a reliable homology model and a method to study the packing of the collagen molecules within the fibril. Through the use of the homology model and implementation of a novel simulation technique, we have ascertained the orientations of the collagen molecules within a fibril, which is currently below the resolution limit of experimental techniques. The longitudinal orientation of collagen molecules within a fibril has a significant effect on the mechanical and biological properties of the fibril, owing to the different amino acid side chains available at the interface between the molecules.

  4. Robotic virtual reality simulation plus standard robotic orientation versus standard robotic orientation alone: a randomized controlled trial.

    Science.gov (United States)

    Vaccaro, Christine M; Crisp, Catrina C; Fellner, Angela N; Jackson, Christopher; Kleeman, Steven D; Pavelka, James

    2013-01-01

    The objective of this study was to compare the effect of virtual reality simulation training plus robotic orientation versus robotic orientation alone on performance of surgical tasks using an inanimate model. Surgical resident physicians were enrolled in this assessor-blinded randomized controlled trial. Residents were randomized to receive either (1) robotic virtual reality simulation training plus standard robotic orientation or (2) standard robotic orientation alone. Performance of surgical tasks was assessed at baseline and after the intervention. Nine of 33 modules from the da Vinci Skills Simulator were chosen. Experts in robotic surgery evaluated each resident's videotaped performance of the inanimate model using the Global Rating Scale (GRS) and Objective Structured Assessment of Technical Skills-modified for robotic-assisted surgery (rOSATS). Nine resident physicians were enrolled in the simulation group and 9 in the control group. As a whole, participants improved their total time, time to incision, and suture time from baseline to repeat testing on the inanimate model (P = 0.001, 0.003, virtual reality simulation improve surgical skills on an inanimate model, although this may be a function of the initial "practice" on the inanimate model and repeat testing of a known task. However, robotic virtual reality simulation training increases GRS pass rates consistent with improved robotic technical skills learned in a virtual reality environment.

  5. Alignment-assisted field-free orientation of rotationally cold CO molecules

    Science.gov (United States)

    Ren, Xiaoming; Makhija, Varun; Li, Hui; Kling, Matthias F.; Kumarappan, Vinod

    2014-07-01

    We follow the alignment-assisted orientation technique proposed by Zhang et al. [Phys. Rev. A 83, 043410 (2011), 10.1103/PhysRevA.83.043410] to experimentally demonstrate a substantial enhancement of the field-free orientation by using a combination of single- and two-color laser pulses. When a two-color orienting pulse is preceded by a single-color aligning pulse by a suitable time, the resulting orientation is thrice as large as that obtained with the two-color pulse alone. We ensure that the orientation is the result of the hyperpolarizability interaction rather than ionization depletion by keeping the ionization due to the pump pulses small and demonstrate a useful level of orientation without the complications of a partially ionized target.

  6. Ionization of one- and three-dimensionally-oriented asymmetric-top molecules by intense circularly polarized femtosecond laser pulses

    DEFF Research Database (Denmark)

    Hansen, Jonas Lerche; Holmegaard, Lotte; Kalhøj, Line

    2011-01-01

    are quantum-state selected using a deflector and three-dimensionally (3D) aligned and oriented adiabatically using an elliptically polarized laser pulse in combination with a static electric field. A characteristic splitting in the molecular frame photoelectron momentum distribution reveals the position......We present a combined experimental and theoretical study on strong-field ionization of a three-dimensionally-oriented asymmetric top molecule, benzonitrile (C7H5N), by circularly polarized, nonresonant femtosecond laser pulses. Prior to the interaction with the strong field, the molecules...... of the nodal planes of the molecular orbitals from which ionization occurs. The experimental results are supported by a theoretical tunneling model that includes and quantifies the splitting in the momentum distribution. The focus of the present article is to understand strong-field ionization from 3D...

  7. Orientation-dependent ionization yields from strong-field ionization of fixed-in-space linear and asymmetric top molecules

    DEFF Research Database (Denmark)

    Hansen, Jonas Lerche; Holmegaard, Lotte; Nielsen, Jens Hedegaard

    2012-01-01

    The yield of strong-field ionization, by a linearly polarized probe pulse, is studied experimentally and theoretically as a function of the relative orientation between the laser field and the molecule. Experimentally, carbonyl sulphide (OCS), benzonitrile and naphthalene molecules are aligned...... theory accounting for the Stark shift of the energy level of the ionizing orbital. For naphthalene and benzonitrile, the orientational dependence of the ionization yield agrees well with the calculated results, in particular, we observe that ionization is maximized when the probe laser is polarized along...... the most polarizable axis. For OCS the observation of the maximum ionization yield when the probe is perpendicular to the internuclear axis contrasts the theoretical results....

  8. X-ray investigation of the tetramethyldithiadiselenafulvalene (TMDTDSF)2X series of organic conductors. I. Study of the orientational disorder of the TMDTDSF molecule

    Science.gov (United States)

    Liu, Q.; Ravy, S.; Pouget, J. P.; Johannsen, I.; Bechgaard, K.

    1993-03-01

    We present a study of the (TMDTDSF)2X materials, where TMDTDSF (Tetramethyldithiadiselenafulvalene) is a hybrid of the TMTSF and TMTTF molecules and X (PF6, AsF6, SbF6, ReO4, BF4 and CIO4) a monovalent anion. This paper deals with an X-ray diffuse scattering study of the static disorder of the orientation of non-centrosymmetrical TMDTDSF molecules. We present a calculation of the diffuse scattering by a model of disorder which takes into account the intrachain correlations between first neighbor molecules and the associated displacements (size effect). Computer simulations of the diffuse scattering intensity allows us to account for the experimental results. We find that in all the compounds investigated the two orientations of the molecules are not correlated and have equal probability in agreement with structural refinements. The interpretation of the diffuse scattering of (TMDTDSF)2PF6 gives a size effect between first- and second-neighbor molecules of about 0.1 Å and 0.03 Å respectively. As the orientational disorder is random, these systems are good candidates for the study of the influence of a random disorder on the structural transitions of these materials such as the anion ordering and the Spin-Peierls instability. Nous présentons l'étude des composés de formule (TMDTDSF)2X où la molécule TMDTDSF (Tétraméthyldithiadisélénafulvalène) est une molécule hybride des molécules TMTSF et TMTTF et X (PF6, AsF6, SbF6, ReO4, BF4 et CIO4) est un anion monovalent. Cet article traite de l'étude par diffusion des rayons X du désordre statique de l'orientation des molécules non-centrosymétriques TMDTDSF. Nous présentons un calcul de l'intensité diffusée par un modèle de désordre tenant compte des corrélations entre les orientations des molécules premières voisines et des déplacements associés (effet de taille). Des simulations de l'intensité diffuse permettent de reproduire les résultats expérimentaux. Nous trouvons que dans tous les syst

  9. Quantum-state selection, alignment, and orientation of large molecules using static electric and laser fields

    DEFF Research Database (Denmark)

    Filsinger, Frank; Küpper, Jochen; Meijer, Gerard

    2009-01-01

    Supersonic beams of polar molecules are deflected using inhomogeneous electric fields. The quantum-state selectivity of the deflection is used to spatially separate molecules according to their quantum state. A detailed analysis of the deflection and the obtained quantum-state selection...

  10. Laser-induced 3D alignment and orientation of quantum state-selected molecules

    DEFF Research Database (Denmark)

    Nevo, Iftach; Holmegaard, Lotte; Nielsen, Jens H.

    2009-01-01

    A strong inhomogeneous static electric field is used to spatially disperse a rotationally cold supersonic beam of 2,6-difluoroiodobenzene molecules according to their rotational quantum state. The molecules in the lowest-lying rotational states are selected and used as targets for 3-dimensional a...

  11. Magnetic field alignment of randomly oriented, high aspect ratio silicon microwires into vertically oriented arrays.

    Science.gov (United States)

    Beardslee, Joseph A; Sadtler, Bryce; Lewis, Nathan S

    2012-11-27

    External magnetic fields have been used to vertically align ensembles of silicon microwires coated with ferromagnetic nickel films. X-ray diffraction and image analysis techniques were used to quantify the degree of vertical orientation of the microwires. The degree of vertical alignment and the minimum field strength required for alignment were evaluated as a function of the wire length, coating thickness, magnetic history, and substrate surface properties. Nearly 100% of 100 μm long, 2 μm diameter, Si microwires that had been coated with 300 nm of Ni could be vertically aligned by a 300 G magnetic field. For wires ranging from 40 to 60 μm in length, as the length of the wire increased, a higher degree of alignment was observed at lower field strengths, consistent with an increase in the available magnetic torque. Microwires that had been exposed to a magnetic sweep up to 300 G remained magnetized and, therefore, aligned more readily during subsequent magnetic field alignment sweeps. Alignment of the Ni-coated Si microwires occurred at lower field strengths on hydrophilic Si substrates than on hydrophobic Si substrates. The magnetic field alignment approach provides a pathway for the directed assembly of solution-grown semiconductor wires into vertical arrays, with potential applications in solar cells as well as in other electronic devices that utilize nano- and microscale components as active elements.

  12. Electromagnetic wave propagation in a random distribution of C{sub 60} molecules

    Energy Technology Data Exchange (ETDEWEB)

    Moradi, Afshin, E-mail: a.moradi@kut.ac.ir [Department of Engineering Physics, Kermanshah University of Technology, Kermanshah, Iran and Department of Nano Sciences, Institute for Studies in Theoretical Physics and Mathematics (IPM), Tehran (Iran, Islamic Republic of)

    2014-10-15

    Propagation of electromagnetic waves in a random distribution of C{sub 60} molecules are investigated, within the framework of the classical electrodynamics. Electronic excitations over the each C{sub 60} molecule surface are modeled by a spherical layer of electron gas represented by two interacting fluids, which takes into account the different nature of the π and σ electrons. It is found that the present medium supports four modes of electromagnetic waves, where they can be divided into two groups: one group with shorter wavelength than the light waves of the same frequency and the other with longer wavelength than the free-space radiation.

  13. Imaging Molecular Structure through Femtosecond Photoelectron Diffraction on Aligned and Oriented Gas-Phase Molecules

    DEFF Research Database (Denmark)

    Boll, Rebecca; Rouzee, Arnaud; Adolph, Marcus

    2014-01-01

    This paper gives an account of our progress towards performing femtosecond time-resolved photoelectron diffraction on gas-phase molecules in a pump-probe setup combining optical lasers and an X-ray Free-Electron Laser. We present results of two experiments aimed at measuring photoelectron angular...

  14. Microwave single-scattering properties of randomly oriented soft-ice hydrometeors

    Directory of Open Access Journals (Sweden)

    D. Casella

    2008-11-01

    Full Text Available Large ice hydrometeors are usually present in intense convective clouds and may significantly affect the upwelling radiances that are measured by satellite-borne microwave radiometers – especially, at millimeter-wavelength frequencies. Thus, interpretation of these measurements (e.g., for precipitation retrieval requires knowledge of the single scattering properties of ice particles. On the other hand, shape and internal structure of these particles (especially, the larger ones is very complex and variable, and therefore it is necessary to resort to simplifying assumptions in order to compute their single-scattering parameters.

    In this study, we use the discrete dipole approximation (DDA to compute the absorption and scattering efficiencies and the asymmetry factor of two kinds of quasi-spherical and non-homogeneous soft-ice particles in the frequency range 50–183 GHz. Particles of the first kind are modeled as quasi-spherical ice particles having randomly distributed spherical air inclusions. Particles of the second kind are modeled as random aggregates of ice spheres having random radii. In both cases, particle densities and dimensions are coherent with the snow hydrometeor category that is utilized by the University of Wisconsin – Non-hydrostatic Modeling System (UW-NMS cloud-mesoscale model. Then, we compare our single-scattering results for randomly-oriented soft-ice hydrometeors with corresponding ones that make use of: a effective-medium equivalent spheres, b solid-ice equivalent spheres, and c randomly-oriented aggregates of ice cylinders. Finally, we extend to our particles the scattering formulas that have been developed by other authors for randomly-oriented aggregates of ice cylinders.

  15. Graded index and randomly oriented core-shell silicon nanowires for broadband and wide angle antireflection

    Directory of Open Access Journals (Sweden)

    P. Pignalosa

    2011-09-01

    Full Text Available Antireflection with broadband and wide angle properties is important for a wide range of applications on photovoltaic cells and display. The SiOx shell layer provides a natural antireflection from air to the Si core absorption layer. In this work, we have demonstrated the random core-shell silicon nanowires with both broadband (from 400nm to 900nm and wide angle (from normal incidence to 60º antireflection characteristics within AM1.5 solar spectrum. The graded index structure from the randomly oriented core-shell (Air/SiOx/Si nanowires may provide a potential avenue to realize a broadband and wide angle antireflection layer.

  16. Surface enhanced Raman optical activity of molecules on orientationally averaged substrates: theory of electromagnetic effects.

    Science.gov (United States)

    Janesko, Benjamin G; Scuseria, Gustavo E

    2006-09-28

    We present a model for electromagnetic enhancements in surface enhanced Raman optical activity (SEROA) spectroscopy. The model extends previous treatments of SEROA to substrates, such as metal nanoparticles in solution, that are orientationally averaged with respect to the laboratory frame. Our theoretical treatment combines analytical expressions for unenhanced Raman optical activity with molecular polarizability tensors that are dressed by the substrate's electromagnetic enhancements. We evaluate enhancements from model substrates to determine preliminary scaling laws and selection rules for SEROA. We find that dipolar substrates enhance Raman optical activity (ROA) scattering less than Raman scattering. Evanescent gradient contributions to orientationally averaged ROA scale to first or higher orders in the gradient of the incident plane-wave field. These evanescent gradient contributions may be large for substrates with quadrupolar responses to the plane-wave field gradient. Some substrates may also show a ROA contribution that depends only on the molecular electric dipole-electric dipole polarizability. These conclusions are illustrated via numerical calculations of surface enhanced Raman and ROA spectra from (R)-(-)-bromochlorofluoromethane on various model substrates.

  17. NMR Spectra of Oriented Samples of Intercalated Fluorographite and 19F Chemical Shielding Anisotropy of the CIF 3 Molecule

    Science.gov (United States)

    Panich, A. M.

    The analysis of 19F NMR spectra of polycrystalline and partially oriented samples of fluorinated graphite (C 2F) n intercalated with chlorine trifluoride has been carried out. Molecular mobility results in almost complete averaging of the dipole-dipole interactions of nuclei, while the essential chemical shielding anisotropy (CSA) is manifested. There is suggested molecular rotation about its C2 axes, which in turn rotates about the normal to the graphite plane. The CSA (σ || - σ ⊥) is determined to be 510 and -640 ppm, respectively, for the two inequivalent fluorine atoms of the molecule. The effect of the "antiparamagnetic" shielding leading to inversion of the chemical shielding tenser [(σ || - σ ⊥) < 0] for the equatorial F atom and anomalous line disposition in the NMR spectrum is discussed.

  18. Coupling between diffusion and orientation of pentacene molecules on an organic surface

    Science.gov (United States)

    Rotter, Paul; Lechner, Barbara A. J.; Morherr, Antonia; Chisnall, David M.; Ward, David J.; Jardine, Andrew P.; Ellis, John; Allison, William; Eckhardt, Bruno; Witte, Gregor

    2016-04-01

    The realization of efficient organic electronic devices requires the controlled preparation of molecular thin films and heterostructures. As top-down structuring methods such as lithography cannot be applied to van der Waals bound materials, surface diffusion becomes a structure-determining factor that requires microscopic understanding. Scanning probe techniques provide atomic resolution, but are limited to observations of slow movements, and therefore constrained to low temperatures. In contrast, the helium-3 spin-echo (HeSE) technique achieves spatial and time resolution on the nm and ps scale, respectively, thus enabling measurements at elevated temperatures. Here we use HeSE to unveil the intricate motion of pentacene admolecules diffusing on a chemisorbed monolayer of pentacene on Cu(110) that serves as a stable, well-ordered organic model surface. We find that pentacene moves along rails parallel and perpendicular to the surface molecules. The experimental data are explained by admolecule rotation that enables a switching between diffusion directions, which extends our molecular level understanding of diffusion in complex organic systems.

  19. Cellular compatibility of RGD-modified chitosan nanofibers with aligned or random orientation

    Energy Technology Data Exchange (ETDEWEB)

    Wang Yanyan; Lue Lanxin; Feng Zhangqi; Xiao Zhongdang; Huang Ningping, E-mail: nphuang@seu.edu.c, E-mail: zdxiao@seu.edu.c [State Key Laboratory of Bioelectronics, School of Biological Science and Medical Engineering, Southeast University, Nanjing 210096 (China)

    2010-10-01

    Aligned and randomly oriented chitosan nanofibers were prepared by electrospinning. The fibers were modified with the RGD cell-adhesive peptide through a heterobifunctional crosslinker containing a segment of poly(ethylene glycol) (PEG). PEG rendered the surface hydrophilic and provided flexible spacers, allowing the preservation of the bioactivity of further captured RGD peptides. NIH 3T3 cells were used to test the cellular compatibility of these chitosan nanofibrous scaffolds. Cell morphology and viability were investigated by SEM, fluorescent staining and cell counting. The results indicate that RGD-modified surfaces significantly improve the cellular compatibility of chitosan nanofibers and suggest a good candidate as a scaffold employed in tissue engineering.

  20. Public attitudes toward child undervaccination: A randomized experiment on evaluations, stigmatizing orientations, and support for policies.

    Science.gov (United States)

    Carpiano, Richard M; Fitz, Nicholas S

    2017-07-01

    Child undervaccination is a complex public health problem and a contentious social and political issue. Efforts to increase vaccination coverage require understanding how the public evaluates different reasons for child undervaccination, which may influence attitudes, stigmatizing behaviors, and support for vaccination policies. We conducted a vignette experiment with a United States national online sample (n = 1469) to investigate how and why different undervaccination actions shape evaluations (blame, anger, sympathy, differentness, credibility, dangerousness), stigmatizing orientations (social distance, discrimination), and support for particular policies (e.g., research funding, belief exemptions, fines). Each participant was randomly assigned to read one of four vignettes that described a mother who either refused vaccines, delayed vaccines, encountered social barriers to obtaining vaccines, or was up-to-date on vaccines for her child. Compared to the up-to-date condition, each undervaccination action predicted significantly more negative evaluations and stigmatizing orientations. Vaccine refusal was the most negatively appraised. Differences in social distance and discrimination were explained by negative evaluations about the parent. These evaluations and orientations predicted support for a range of policies. Negative parental evaluations were associated with increased support for more severe policies. We discuss the implications of these findings for addressing undervaccination and informing health scholarship on stigma. Copyright © 2017 Elsevier Ltd. All rights reserved.

  1. Vibration Analysis of Randomly Oriented Carbon Nanotube Based on FGM Beam Using Timoshenko Theory

    Directory of Open Access Journals (Sweden)

    Mohammad Amin Rashidifar

    2015-02-01

    Full Text Available The carbon nanotube (CNT reinforced functionally graded materials (FGM are expected to be the new generation materials having wide range of unexplored potential applications in various technological areas such as aerospace and structural and chemical industry. The present work deals with the finite element modeling and free vibration analysis of CNT based functionally graded beam using three-dimensional Timoshenko beam theory. It has been assumed that the material properties of CNT based FG beam vary only along the thickness and these properties are evaluated by rule of mixture. The extended Hamilton principle has been applied to find out the governing equations of CNT based FG beam. Finite element method is used to solve governing equation with the exact shape functions. Initial analysis deals with CNTs assumed to be oriented along the length direction only. But practically it is not possible. So, further work deals with the free vibration analysis of functionally graded nanocomposite beams reinforced by randomly oriented straight single walled carbon nanotubes (SWCNTs. The Eshelby-Mori-Tanaka approach based on an equivalent fiber is used to investigate the material properties of the beam. Results are presented in tabular and graphical forms to show the effects of carbon nanotube orientations, slenderness ratios, and boundary conditions on the dynamic behavior of the beam.

  2. Finding Order in Randomness: Single-Molecule Studies Reveal Stochastic RNA Processing | Center for Cancer Research

    Science.gov (United States)

    Producing a functional eukaryotic messenger RNA (mRNA) requires the coordinated activity of several large protein complexes to initiate transcription, elongate nascent transcripts, splice together exons, and cleave and polyadenylate the 3’ end. Kinetic competition between these various processes has been proposed to regulate mRNA maturation, but this model could lead to multiple, randomly determined, or stochastic, pathways or outcomes. Regulatory checkpoints have been suggested as a means of ensuring quality control. However, current methods have been unable to tease apart the contributions of these processes at a single gene or on a time scale that could provide mechanistic insight. To begin to investigate the kinetic relationship between transcription and splicing, Daniel Larson, Ph.D., of CCR’s Laboratory of Receptor Biology and Gene Expression, and his colleagues employed a single-molecule RNA imaging approach to monitor production and processing of a human β-globin reporter gene in living cells.

  3. Effect of NICU Department Orientation Program on Mother’s Anxiety: a Randomized Clinical Trial

    Directory of Open Access Journals (Sweden)

    Leila Valizadeh

    2016-09-01

    Full Text Available Introduction: Neonatal intensive care unit induces the high level of anxiety for mothers. The aim of this study was to evaluate the effectiveness of NICU orientation program on the anxiety of mothers who had preterm newborns hospitalized in NICU. Methods: This study was a randomized clinical trial (three parallel groups. Participants included 99 mothers with preterm newborns hospitalized in NICU of Al- Zahra hospital, affiliated to Tabriz University of Medical Sciences in 2015. Mothers were randomly assigned to one of three groups (film, booklet, and control. Mothers completed the State- Trait Anxiety Inventory before entering to the NICU, and then mothers in the experiment groups became familiar with the NICU environment through watching a film or reading booklet. After the first NICU visit, all mothers completed the STAI and Cattell's Anxiety Questionnaires. Data were analyzed using SPSS ver. 13 software. Results: There was no significant difference between three groups regarding state- trait anxiety before the intervention. After the first NICU visit, a significant reduction in maternal state anxiety was seen in the both experiment groups. There was no statistical significant difference regarding trait anxiety. Data obtained from Cattell's anxiety questionnaire after intervention, showed significant difference in state anxiety between groups. Conclusion: Employing film and booklet orientation strategy after preterm delivery can reduce the mother’s anxiety and beneficent for the mother, baby, family and health care system.

  4. Guiding the orientation of smooth muscle cells on random and aligned polyurethane/collagen nanofibers.

    Science.gov (United States)

    Jia, Lin; Prabhakaran, Molamma P; Qin, Xiaohong; Ramakrishna, Seeram

    2014-09-01

    Fabricating scaffolds that can simulate the architecture and functionality of native extracellular matrix is a huge challenge in vascular tissue engineering. Various kinds of materials are engineered via nano-technological approaches to meet the current challenges in vascular tissue regeneration. During this study, nanofibers from pure polyurethane and hybrid polyurethane/collagen in two different morphologies (random and aligned) and in three different ratios of polyurethane:collagen (75:25; 50:50; 25:75) are fabricated by electrospinning. The fiber diameters of the nanofibrous scaffolds are in the range of 174-453 nm and 145-419 for random and aligned fibers, respectively, where they closely mimic the nanoscale dimensions of native extracellular matrix. The aligned polyurethane/collagen nanofibers expressed anisotropic wettability with mechanical properties which is suitable for regeneration of the artery. After 12 days of human aortic smooth muscle cells culture on different scaffolds, the proliferation of smooth muscle cells on hybrid polyurethane/collagen (3:1) nanofibers was 173% and 212% higher than on pure polyurethane scaffolds for random and aligned scaffolds, respectively. The results of cell morphology and protein staining showed that the aligned polyurethane/collagen (3:1) scaffold promote smooth muscle cells alignment through contact guidance, while the random polyurethane/collagen (3:1) also guided cell orientation most probably due to the inherent biochemical composition. Our studies demonstrate the potential of aligned and random polyurethane/collagen (3:1) as promising substrates for vascular tissue regeneration. © The Author(s) 2014 Reprints and permissions: sagepub.co.uk/journalsPermissions.nav.

  5. Deducing fast electron density changes in randomly orientated uncrystallized biomolecules in a pump-probe experiment.

    Science.gov (United States)

    Pande, K; Schwander, P; Schmidt, M; Saldin, D K

    2014-07-17

    We propose a method for deducing time-resolved structural changes in uncrystallized biomolecules in solution. The method relies on measuring the angular correlations of the intensities, when averaged over a large number of diffraction patterns from randomly oriented biomolecules in solution in a liquid solvent. The experiment is somewhat like a pump-probe version of an experiment on small angle X-ray scattering, except that the data expected by the algorithm are not just the radial variation of the averaged intensities. The differences of these correlation functions as measured from a photoexcited and dark structure enable the direct calculation of the difference electron density with a knowledge of only the dark structure. We exploit a linear relation we derive between the difference in these correlation functions and the difference electron density, applicable for small structural changes.

  6. Patient-oriented rehabilitation in the management of chronic mechanical neck pain: a randomized controlled trial.

    Science.gov (United States)

    Paoloni, M; Tavernese, E; Cacchio, A; Tattoli, M; Melis, L; Ronconi, R; Santilli, V

    2013-06-01

    Management of chronic mechanical neck pain (CMNP) still represents a challenge. A patient-oriented (Pa-O) therapeutic approach could be considered as the one in which therapies are scheduled at the start of each therapeutic session according to the patient's current physical status, and differs from a prescription-oriented (Pr-O) therapeutic approach, in which therapies are prescribed at the first medical referral and are not adjusted at any time during the treatment period. To determine if a Pa-O approach may be more beneficial for CMNP patients when compared to a Pr-O one. Randomized controlled trial. 220 CMNP outpatients randomized to either Pa-O group (N.=114) or Pr-O group (N.=106). Each group received 10 therapeutic sessions over 3 weeks. Primary outcome measures were pain assessment, evaluated by Visual-Analog-Scale (VAS), and disability level, evaluated by the Neck Pain and Disability Scale (NPDS-I). Secondary outcome measures included patients' response to treatment and treatment failures. Measurements were carried out at baseline (T0) and 1 month after treatment ended (T1). Data were analysed according to the intention-to-treat principle. Patients in both groups displayed at T1 a significant reduction in VAS and NPDS-I scores. The relative changes at T1 were greater in Pa-O group when compared with Pr-O group both for VAS (61.5% versus 48.8%; Pup in suffers from CMNP. However, the occurrence of a performance-bias due to the increased level of attention from physicians to patients in Pa-O group, cannot be ruled-out. A Pa-O approach should be considered for CMNP also in an outpatient facility.

  7. Effect of SiC Nano powder on Multiaxial Woven and Chopped Randomly Oriented Flax/Sisal Fiber Reinforced composites

    Directory of Open Access Journals (Sweden)

    Kalagi Ganesh R.

    2018-01-01

    Full Text Available A study has been carried out to investigate effect of SiC Nano powder on tensile and impact properties of Multiaxial layers of Flax and Sisal fiber reinforced composites and randomly oriented chopped Flax and Sisal fiber reinforced composites. It has been observed that tensile strength and impact strength were improved using 6% of SiC Nanopowder into Multiaxial layer (+45º/-45º, 0º/90º of Flax and Sisal where as randomly oriented chopped Flax and Sisal fiber reinforced composites are improved in its stiffnes for the same composition of fiber, epoxy and SiC Nano powder. SEM Analysis are done to analyse the distribution of SiC in both Multiaxial layers of Flax and Sisal fiber reinforced composites and randomly oriented chopped Flax and Sisal fiber reinforced composites.

  8. Multiple-scattering calculations for 1s photoelectron angular distributions from single oriented molecules in the energy region above 50 eV

    Energy Technology Data Exchange (ETDEWEB)

    Kazama, Misato, E-mail: misato-k@graduate.chiba-u.jp [Graduate School of Advanced Integration Science, Chiba University, 1-33 Yayoi-cho, Inage, Chiba 263-8522 (Japan); Shinotsuka, Hiroshi; Fujikawa, Takashi [Graduate School of Advanced Integration Science, Chiba University, 1-33 Yayoi-cho, Inage, Chiba 263-8522 (Japan); Stener, Mauro; Decleva, Piero [Dipartimento di Scienze Chimiche, Universita di Trieste, Via L. Giorgieri 1, I-34127 Trieste (Italy); Adachi, Jun-ichi; Mizuno, Tomoya; Yagishita, Akira [Photon Factory, Institute of Materials Structure Science, KEK, 1-1 Oho, Tsukuba, Ibaraki 305-0801 (Japan)

    2012-11-15

    Highlights: Black-Right-Pointing-Pointer We calculate X-ray photoelectron angular distributions for oriented molecules. Black-Right-Pointing-Pointer We compare these results with DFT theory and experimental data. Black-Right-Pointing-Pointer The multiple-scattering theory well reproduces experimental angular distributions. Black-Right-Pointing-Pointer Our theory is powerful to describe photoelectron angular distributions above 50 eV. -- Abstract: 1s photoelectron angular distributions from fixed-in-space CO{sub 2}, NO{sub 2}, BF{sub 3} and CH{sub 3}F molecules have been calculated by X-ray photoelectron diffraction (XPD) theory with muffin-tin-type molecular potential. For all the molecules, the calculated results show good agreements with those by density functional theory in the energy region Greater-Than-Or-Equivalent-To 100 eV. Furthermore, for all the molecules experimental data on the angular distributions in such energy region are well reproduced by the XPD theory. These intensive studies lead to a rather general rule that the XPD theory is an adequate tool to describe high-energy photoelectron angular distributions for any single oriented molecules.

  9. Two-pulse laser control for selective photofragment orientation

    DEFF Research Database (Denmark)

    Machholm, Mette; Henriksen, Niels Engholm

    1999-01-01

    The nuclear wave packet dynamics in the potential well of a bound molecule can be controlled by an intense infrared (IR)-laser pulse. The phase of the nuclear wave packet motion is shown to depend on the phase of the laser field and the initial orientation of the molecule. We demonstrate......, for diatomic heteronuclear molecules, that these spatial effects can be used to control the angular distribution of photofragments by selective dissociation of molecules with a given initial orientation from a sample of randomly oriented molecules. (C) 1999 American Institute of Physics. [S0021-9606(99)01131-9]....

  10. Orientation difference of chemically immobilized and physically adsorbed biological molecules on polymers detected at the solid/liquid interfaces in situ.

    Science.gov (United States)

    Ye, Shuji; Nguyen, Khoi Tan; Boughton, Andrew P; Mello, Charlene M; Chen, Zhan

    2010-05-04

    A surface sensitive second order nonlinear optical technique, sum frequency generation vibrational spectroscopy, was applied to study peptide orientation on polymer surfaces, supplemented by a linear vibrational spectroscopy, attenuated total reflectance Fourier transform infrared spectroscopy. Using the antimicrobial peptide Cecropin P1 as a model system, we have quantitatively demonstrated that chemically immobilized peptides on polymers adopt a more ordered orientation than less tightly bound physically adsorbed peptides. These differences were also observed in different chemical environments, for example, air versus water. Although numerous studies have reported a direct correlation between the choice of immobilization method and the performance of an attached biological molecule, the lack of direct biomolecular structure and orientation data has made it difficult to elucidate the relationship between structure, orientation, and function at a surface. In this work, we directly studied the effect of chemical immobilization method on biomolecular orientation/ordering, an important step for future studies of biomolecular activity. The methods for orientation analysis described within are also of relevance to understanding biosensors, biocompatibility, marine-antifouling, membrane protein functions, and antimicrobial peptide activities.

  11. Generalized Pareto for Pattern-Oriented Random Walk Modelling of Organisms' Movements.

    Science.gov (United States)

    Bertrand, Sophie; Joo, Rocío; Fablet, Ronan

    2015-01-01

    How organisms move and disperse is crucial to understand how population dynamics relates to the spatial heterogeneity of the environment. Random walk (RW) models are typical tools to describe movement patterns. Whether Lévy or alternative RW better describes forager movements is keenly debated. We get around this issue using the Generalized Pareto Distribution (GPD). GPD includes as specific cases Normal, exponential and power law distributions, which underlie Brownian, Poisson-like and Lévy walks respectively. Whereas previous studies typically confronted a limited set of candidate models, GPD lets the most likely RW model emerge from the data. We illustrate the wide applicability of the method using GPS-tracked seabird foraging movements and fishing vessel movements tracked by Vessel Monitoring System (VMS), both collected in the Peruvian pelagic ecosystem. The two parameters from the fitted GPD, a scale and a shape parameter, provide a synoptic characterization of the observed movement in terms of characteristic scale and diffusive property. They reveal and quantify the variability, among species and individuals, of the spatial strategies selected by predators foraging on a common prey field. The GPD parameters constitute relevant metrics for (1) providing a synthetic and pattern-oriented description of movement, (2) using top predators as ecosystem indicators and (3) studying the variability of spatial behaviour among species or among individuals with different personalities.

  12. Generalized Pareto for Pattern-Oriented Random Walk Modelling of Organisms’ Movements

    Science.gov (United States)

    Bertrand, Sophie; Joo, Rocío; Fablet, Ronan

    2015-01-01

    How organisms move and disperse is crucial to understand how population dynamics relates to the spatial heterogeneity of the environment. Random walk (RW) models are typical tools to describe movement patterns. Whether Lévy or alternative RW better describes forager movements is keenly debated. We get around this issue using the Generalized Pareto Distribution (GPD). GPD includes as specific cases Normal, exponential and power law distributions, which underlie Brownian, Poisson-like and Lévy walks respectively. Whereas previous studies typically confronted a limited set of candidate models, GPD lets the most likely RW model emerge from the data. We illustrate the wide applicability of the method using GPS-tracked seabird foraging movements and fishing vessel movements tracked by Vessel Monitoring System (VMS), both collected in the Peruvian pelagic ecosystem. The two parameters from the fitted GPD, a scale and a shape parameter, provide a synoptic characterization of the observed movement in terms of characteristic scale and diffusive property. They reveal and quantify the variability, among species and individuals, of the spatial strategies selected by predators foraging on a common prey field. The GPD parameters constitute relevant metrics for (1) providing a synthetic and pattern–oriented description of movement, (2) using top predators as ecosystem indicators and (3) studying the variability of spatial behaviour among species or among individuals with different personalities. PMID:26172045

  13. Generalized Pareto for Pattern-Oriented Random Walk Modelling of Organisms' Movements.

    Directory of Open Access Journals (Sweden)

    Sophie Bertrand

    Full Text Available How organisms move and disperse is crucial to understand how population dynamics relates to the spatial heterogeneity of the environment. Random walk (RW models are typical tools to describe movement patterns. Whether Lévy or alternative RW better describes forager movements is keenly debated. We get around this issue using the Generalized Pareto Distribution (GPD. GPD includes as specific cases Normal, exponential and power law distributions, which underlie Brownian, Poisson-like and Lévy walks respectively. Whereas previous studies typically confronted a limited set of candidate models, GPD lets the most likely RW model emerge from the data. We illustrate the wide applicability of the method using GPS-tracked seabird foraging movements and fishing vessel movements tracked by Vessel Monitoring System (VMS, both collected in the Peruvian pelagic ecosystem. The two parameters from the fitted GPD, a scale and a shape parameter, provide a synoptic characterization of the observed movement in terms of characteristic scale and diffusive property. They reveal and quantify the variability, among species and individuals, of the spatial strategies selected by predators foraging on a common prey field. The GPD parameters constitute relevant metrics for (1 providing a synthetic and pattern-oriented description of movement, (2 using top predators as ecosystem indicators and (3 studying the variability of spatial behaviour among species or among individuals with different personalities.

  14. Promoting physical activity with goal-oriented mental imagery: a randomized controlled trial.

    Science.gov (United States)

    Chan, Carina K Y; Cameron, Linda D

    2012-06-01

    Self-regulation theory and research suggests that different types of mental imagery can promote goal-directed behaviors. The present study was designed to compare the efficacy of approach imagery (attainment of desired goal states) and process imagery (steps for enacting behavior) in promoting physical activity among inactive individuals. A randomized controlled trial was conducted with 182 inactive adults who received one of four interventions for generating mental images related to physical activity over a 4-week period, with Approach Imagery (approach versus neutral) and Process Imagery (process versus no process) as the intervention strategies. Participants received imagery training and practiced daily. Repeated measures ANOVAs revealed that Approach Imagery: (1) increased approach motivations for physical activity at Week 4; (2) induced greater intentions post-session, which subsequently induced more action planning at Week 4; (3) enhanced action planning when combined with process images at post-session and Week 1; and (4) facilitated more physical activity at Week 4 via action planning. These findings suggest that inducing approach orientation via mental imagery may be a convenient and low-cost technique to promote physical activity among inactive individuals.

  15. Influence of crystal shapes on radiative fluxes in visible wavelength: ice crystals randomly oriented in space

    Directory of Open Access Journals (Sweden)

    P. Chervet

    1996-08-01

    Full Text Available Radiative properties of cirrus clouds are one of the major unsolved problems in climate studies and global radiation budget. These clouds are generally composed of various ice-crystal shapes, so we tried to evaluate effects of the ice-crystal shape on radiative fluxes. We calculated radiative fluxes of cirrus clouds with a constant geometrical depth, composed of ice crystals with different shapes (hexagonal columns, bullets, bullet-rosettes, sizes and various concentrations. We considered ice particles randomly oriented in space (3D case and their scattering phase functions were calculated by a ray-tracing method. We calculated radiative fluxes for cirrus layers for different microphysical characteristics by using a discrete-ordinate radiative code. Results showed that the foremost effect of the ice-crystal shape on radiative properties of cirrus clouds was that on the optical thickness, while the variation of the scattering phase function with the ice shape remained less than 3% for our computations. The ice-water content may be a better choice to parameterize the optical properties of cirrus, but the shape effect must be included.

  16. Processing of X-ray snapshots from crystals in random orientations.

    Science.gov (United States)

    Kabsch, Wolfgang

    2014-08-01

    A functional expression is introduced that relates scattered X-ray intensities from a still or a rotation snapshot to the corresponding structure-factor amplitudes. The new approach was implemented in the program nXDS for processing monochromatic diffraction images recorded by a multi-segment detector where each exposure could come from a different crystal. For images containing indexable spots, the intensities of the expected reflections and their variances are obtained by profile fitting after mapping the contributing pixel contents to the Ewald sphere. The varying intensity decline owing to the angular distance of the reflection from the surface of the Ewald sphere is estimated using a Gaussian rocking curve. This decline is dubbed `Ewald offset correction', which is well defined even for still images. Together with an image-scaling factor and other corrections, an explicit expression is defined that predicts each recorded intensity from its corresponding structure-factor amplitude. All diffraction parameters, scaling and correction factors are improved by post-refinement. The ambiguous case of a lower point group than the lattice symmetry is resolved by a method reminiscent of the technique of `selective breeding'. It selects the indexing alternative for each image that yields, on average, the highest correlation with intensities from all other images. Processing a test set of rotation images by XDS and treating the same images by nXDS as snapshots of crystals in random orientations yields data of comparable quality, clearly indicating an anomalous signal from Se atoms.

  17. Single molecule fluorescence image patterns linked to dipole orientation and axial position: application to myosin cross-bridges in muscle fibers.

    Directory of Open Access Journals (Sweden)

    Thomas P Burghardt

    2011-02-01

    Full Text Available Photoactivatable fluorescent probes developed specifically for single molecule detection extend advantages of single molecule imaging to high probe density regions of cells and tissues. They perform in the native biomolecule environment and have been used to detect both probe position and orientation.Fluorescence emission from a single photoactivated probe captured in an oil immersion, high numerical aperture objective, produces a spatial pattern on the detector that is a linear combination of 6 independent and distinct spatial basis patterns with weighting coefficients specifying emission dipole orientation. Basis patterns are tabulated for single photoactivated probes labeling myosin cross-bridges in a permeabilized muscle fiber undergoing total internal reflection illumination. Emitter proximity to the glass/aqueous interface at the coverslip implies the dipole near-field and dipole power normalization are significant affecters of the basis patterns. Other characteristics of the basis patterns are contributed by field polarization rotation with transmission through the microscope optics and refraction by the filter set. Pattern recognition utilized the generalized linear model, maximum likelihood fitting, for Poisson distributed uncertainties. This fitting method is more appropriate for treating low signal level photon counting data than χ(2 minimization.Results indicate that emission dipole orientation is measurable from the intensity image except for the ambiguity under dipole inversion. The advantage over an alternative method comparing two measured polarized emission intensities using an analyzing polarizer is that information in the intensity spatial distribution provides more constraints on fitted parameters and a single image provides all the information needed. Axial distance dependence in the emission pattern is also exploited to measure relative probe position near focus. Single molecule images from axial scanning fitted

  18. Bilateral robotic priming before task-oriented approach in subacute stroke rehabilitation: a pilot randomized controlled trial.

    Science.gov (United States)

    Hsieh, Yu-Wei; Wu, Ching-Yi; Wang, Wei-En; Lin, Keh-Chung; Chang, Ku-Chou; Chen, Chih-Chi; Liu, Chien-Ting

    2017-02-01

    To investigate the treatment effects of bilateral robotic priming combined with the task-oriented approach on motor impairment, disability, daily function, and quality of life in patients with subacute stroke. A randomized controlled trial. Occupational therapy clinics in medical centers. Thirty-one subacute stroke patients were recruited. Participants were randomly assigned to receive bilateral priming combined with the task-oriented approach (i.e., primed group) or to the task-oriented approach alone (i.e., unprimed group) for 90 minutes/day, 5 days/week for 4 weeks. The primed group began with the bilateral priming technique by using a bimanual robot-aided device. Motor impairments were assessed by the Fugal-Meyer Assessment, grip strength, and the Box and Block Test. Disability and daily function were measured by the modified Rankin Scale, the Functional Independence Measure, and actigraphy. Quality of life was examined by the Stroke Impact Scale. The primed and unprimed groups improved significantly on most outcomes over time. The primed group demonstrated significantly better improvement on the Stroke Impact Scale strength subscale ( p = 0.012) and a trend for greater improvement on the modified Rankin Scale ( p = 0.065) than the unprimed group. Bilateral priming combined with the task-oriented approach elicited more improvements in self-reported strength and disability degrees than the task-oriented approach by itself. Further large-scale research with at least 31 participants in each intervention group is suggested to confirm the study findings.

  19. Magnetic susceptibility anisotropy: cylindrical symmetry from macroscopically ordered anisotropic molecules and accuracy of MRI measurements using few orientations.

    Science.gov (United States)

    Wisnieff, Cynthia; Liu, Tian; Spincemaille, Pascal; Wang, Shuai; Zhou, Dong; Wang, Yi

    2013-04-15

    White matter is an essential component of the central nervous system and is of major concern in neurodegenerative diseases such as multiple sclerosis (MS). Recent MRI studies have explored the unique anisotropic magnetic properties of white matter using susceptibility tensor imaging. However, these measurements are inhibited in practice by the large number of different head orientations needed to accurately reconstruct the susceptibility tensor. Adding reasonable constraints reduces the number of model parameters and can help condition the tensor reconstruction from a small number of orientations. The macroscopic magnetic susceptibility is decomposed as a sum of molecular magnetic polarizabilities, demonstrating that macroscopic order in molecular arrangement is essential to the existence of and symmetry in susceptibility anisotropy and cylindrical symmetry is a natural outcome of an ordered molecular arrangement. Noise propagation in the susceptibility tensor reconstruction is analyzed through its condition number, showing that the tensor reconstruction is highly susceptible to the distribution of acquired subject orientations and to the tensor symmetry properties, with a substantial over- or under-estimation of susceptibility anisotropy in fiber directions not favorably oriented with respect to the acquired orientations. It was found that a careful acquisition of three non-coplanar orientations and the use of cylindrical symmetry guided by diffusion tensor imaging allowed reasonable estimation of magnetic susceptibility anisotropy in certain major white matter tracts in the human brain. Copyright © 2012 Elsevier Inc. All rights reserved.

  20. Local radial basis function meshless scheme for vector radiative transfer in participating media with randomly oriented axisymmetric particles.

    Science.gov (United States)

    Sun, Jie; Yi, Hong-Liang; Tan, He-Ping

    2016-02-20

    A local radial basis function meshless scheme (LRBFM) is developed to solve polarized radiative transfer in participating media containing randomly oriented axisymmetric particles in which radial basis functions augmented with polynomial basis are employed to construct the trial functions, and the vector radiative-transfer equation based on the discrete-ordinates approach is discretized directly by collocation method. The LRBFM belongs to a class of truly meshless methods that do not need any mesh or any numerical integration scheme. Performances of the LRBFM are verified with analytical solutions and other numerical results reported earlier in the literature via five various test cases. The predicted angular distribution of brightness temperature and Stokes vector by the LRBFM agree very well with the benchmark. It is demonstrated that the LRBFM is accurate to solve vector radiative transfer in participating media with randomly oriented axisymmetric particles.

  1. Enzymatic methods for glyco(diversification/randomization) of drugs and small molecules.

    Science.gov (United States)

    Gantt, Richard W; Peltier-Pain, Pauline; Thorson, Jon S

    2011-10-01

    Glyco (randomization/diversification) is a term that encompasses strategies to diversify a core drug scaffold via enzymatic glycosylation to provide sets of analogs wherein the sole diversity element is a carbohydrate. This review covers the influence of glycosylation upon various drug properties, the classes of glycosyl-conjugating enzymes amenable to glyco(randomization/diversification) schemes, approaches to the synthesis of required substrates and specific examples of glycorandomized libraries utilizing both wild-type and engineered enzymes.

  2. Dynamical Orientation of Large Molecules on Oxide Surfaces and its Implications for Dye-Sensitized Solar Cells

    KAUST Repository

    Brennan, Thomas P.

    2013-11-12

    A dual experimental-computational approach utilizing near-edge X-ray absorption fine structure (NEXAFS) spectroscopy and density functional theory-molecular dynamics (DFT-MD) is presented for determining the orientation of a large adsorbate on an oxide substrate. A system of interest in the field of dye-sensitized solar cells is studied: an organic cyanoacrylic acid-based donor-π-acceptor dye (WN1) bound to anatase TiO2. Assessment of nitrogen K-edge NEXAFS spectra is supported by calculations of the electronic structure that indicate energetically discrete transitions associated with the two π systems of the C-N triple bond in the cyanoacrylic acid portion of the dye. Angle-resolved NEXAFS spectra are fitted to determine the orientation of these two orbital systems, and the results indicate an upright orientation of the adsorbed dye, 63 from the TiO2 surface plane. These experimental results are then compared to computational studies of the WN1 dye on an anatase (101) TiO2 slab. The ground state structure obtained from standard DFT optimization is less upright (45 from the surface) than the NEXAFS results. However, DFT-MD simulations, which provide a more realistic depiction of the dye at room temperature, exhibit excellent agreement - within 2 on average - with the angles determined via NEXAFS, demonstrating the importance of accounting for the dynamic nature of adsorbate-substrate interactions and DFT-MD\\'s powerful predictive abilities. © 2013 American Chemical Society.

  3. Task-Oriented Training with Computer Games for People with Rheumatoid Arthritis or Hand Osteoarthritis: A Feasibility Randomized Controlled Trial.

    Science.gov (United States)

    Srikesavan, Cynthia Swarnalatha; Shay, Barbara; Szturm, Tony

    2016-09-13

    To examine the feasibility of a clinical trial on a novel, home-based task-oriented training with conventional hand exercises in people with rheumatoid arthritis or hand osteoarthritis. To explore the experiences of participants who completed their respective home exercise programmes. Thirty volunteer participants aged between 30 and 60 years and diagnosed with rheumatoid arthritis or hand osteoarthritis were proposed for a single-center, assessor-blinded, randomized controlled trial ( ClinicalTrials.gov : NCT01635582). Participants received task-oriented training with interactive computer games and objects of daily life or finger mobility and strengthening exercises. Both programmes were home based and were done four sessions per week with 20 minutes each session for 6 weeks. Major feasibility outcomes were number of volunteers screened, randomized, and retained; completion of blinded assessments, exercise training, and home exercise sessions; equipment and data management; and clinical outcomes of hand function. Reaching the recruitment target in 18 months and achieving exercise compliance >80% were set as success criteria. Concurrent with the trial, focus group interviews explored experiences of those participants who completed their respective programmes. After trial initiation, revisions in inclusion criteria were required to promote recruitment. A total of 17 participants were randomized and 15 were retained. Completion of assessments, exercise training, and home exercise sessions; equipment and data collection and management demonstrated excellent feasibility. Both groups improved in hand function outcomes and exercise compliance was above 85%. Participants perceived both programmes as appropriate and acceptable. Participants who completed task-oriented training also agreed that playing different computer games was enjoyable, engaging, and motivating. Findings demonstrate initial evidence on recruitment, feasibility of trial procedures, and acceptability of

  4. Robust signatures in the current-voltage characteristics of DNA molecules oriented between two graphene nanoribbon electrodes

    Science.gov (United States)

    Paez, Carlos; Schulz, Peter; Roemer, Rudolf; Wilson, Neil

    2013-03-01

    In this work we numerically calculate the electric current through three kinds of DNA sequences (telomeric, λ-DNA, and p53-DNA) described by different heuristic models. A bias voltage is applied between two zig-zag edged graphene contacts attached to the DNA segments, while a gate terminal modulates the conductance of the molecule. The calculation of current is performed by integrating the transmission function (calculated using the lattice Green's function) over the range of energies allowed by the chemical potentials. We show that a telomeric DNA sequence, when treated as a quantum wire in the fully coherent low-temperature regime, works as an excellent semiconductor. Clear steps are apparent in the current-voltage curves of telomeric sequences and are present independent of lengths and sequence initialisation at the contacts. The current-voltage curves suggest the existence of stepped structures independent of length and sequencing initialisation at the contacts. We also find that the molecule-electrode coupling can drastically influence the magnitude of the current. The difference between telomeric DNA and other DNA, such as λ-DNA and DNA for the tumour suppressor p53, is particularly visible in the length dependence of the current.

  5. Effects of Coping-Oriented Couples Therapy on Depression: A Randomized Clinical Trial

    Science.gov (United States)

    Bodenmann, Guy; Plancherel, Bernard; Beach, Steven R. H.; Widmer, Kathrin; Gabriel, Barbara; Meuwly, Nathalie; Charvoz, Linda; Hautzinger, Martin; Schramm, Elisabeth

    2008-01-01

    The aim of this study was to evaluate the effectiveness of treating depression with coping-oriented couples therapy (COCT) as compared with cognitive-behavioral therapy (CBT; A. T. Beck, C. Ward, & M. Mendelson, 1961) and interpersonal psychotherapy (IPT; M. M. Weissman, J. C. Markowitz, & G. L. Klerman, 2000). Sixty couples, including 1…

  6. Shape dependency of the extinction and absorption cross sections of dust aerosols modeled as randomly oriented spheroids

    Directory of Open Access Journals (Sweden)

    R. Wagner

    2011-09-01

    Full Text Available We present computational results on the shape dependency of the extinction and absorption cross sections of dustlike aerosol particles that were modeled as randomly oriented spheroids. Shape dependent variations in the extinction cross sections are largest in the size regime that is governed by the interference structure. Elongated spheroids best fitted measured extinction spectra of re-dispersed Saharan dust samples. For dust particles smaller than 1.5 μm in diameter and low absorption potential, shape effects on the absorption cross sections are very small.

  7. Economic evaluation of schema therapy and clarification-oriented psychotherapy for personality disorders: a multicenter, randomized controlled trial.

    Science.gov (United States)

    Bamelis, Lotte L M; Arntz, Arnoud; Wetzelaer, Pim; Verdoorn, Ryanne; Evers, Silvia M A A

    2015-11-01

    To compare from a societal perspective the cost-effectiveness and cost-utility of schema therapy, clarification-oriented psychotherapy, and treatment as usual for patients with avoidant, dependent, obsessive-compulsive, paranoid, histrionic, and/or narcissistic personality disorder. A multicenter, randomized controlled trial, single-blind parallel design, was conducted between May 2006 and December 2011 in 12 Dutch mental health institutes. Data from 320 patients (diagnosed according to DSM-IV criteria) randomly assigned to schema therapy (n = 145), treatment as usual (n = 134), or clarification-oriented psychotherapy (n = 41) were analyzed. Costs were repeatedly measured during 36 months by interview and patient registries. Primary outcome measures were proportion of recovered patients as measured with the Structured Clinical Interview for DSM-IV Axis II Personality Disorders for the cost-effectiveness analysis, and quality-adjusted life-years (QALYs) for the cost-utility analysis. Bootstrap replications in the cost-effectiveness and the cost-utility planes were used to estimate the probability that one treatment was more cost-effective than the other. Mixed gamma regression on net monetary benefit for different levels of willingness to pay for extra effects was used as sensitivity analysis. Additional sensitivity analyses were done to assess robustness of the results. Due to higher clinical effects and lower costs, schema therapy was dominant over the other treatments in the cost-effectiveness analyses. Schema therapy has the probability of being the most cost-effective treatment (78% at €0 to 96% at €37,500 [$27,375] willingness to pay per extra recovery). Treatment as usual was more cost-effective than clarification-oriented psychotherapy due to lower costs. In the cost-utility analysis, schema therapy had a stable 75% probability of being cost-effective. Sensitivity analyses confirmed these findings. The results support the cost-effectiveness of schema

  8. Highly efficient hybrid energy generator: coupled organic photovoltaic device and randomly oriented electrospun poly(vinylidene fluoride) nanofiber.

    Science.gov (United States)

    Park, Boongik; Lee, Kihwan; Park, Jongjin; Kim, Jongmin; Kim, Ohyun

    2013-03-01

    A hybrid architecture consisting of an inverted organic photovoltaic device and a randomly-oriented electrospun PVDF piezoelectric device was fabricated as a highly-efficient energy generator. It uses the inverted photovoltaic device with coupled electrospun PVDF nanofibers as tandem structure to convert solar and mechanical vibrations energy to electricity simultaneously or individually. The power conversion efficiency of the photovoltaic device was also significantly improved up to 4.72% by optimized processes such as intrinsic ZnO, MoO3 and active layer. A simple electrospinning method with the two electrode technique was adopted to achieve a high voltage of - 300 mV in PVDF piezoelectric fibers. Highly-efficient HEG using voltage adder circuit provides the conceptual possibility of realizing multi-functional energy generator whenever and wherever various energy sources are available.

  9. Resource-oriented coaching for reduction of examination-related stress in medical students: an exploratory randomized controlled trial.

    Science.gov (United States)

    Kötter, Thomas; Niebuhr, Frank

    2016-01-01

    The years spent in acquiring medical education is considered a stressful period in the life of many students. Students whose mental health deteriorates during this long period of study are less likely to become empathic and productive physicians. In addition to other specific stressors, academic examinations seem to further induce medical school-related stress and anxiety. Combined group and individual resource-oriented coaching early in medical education might reduce examination-related stress and anxiety and, consequently, enhance academic performance. Good quality evidence, however, remains scarce. In this study, therefore, we explored the question of whether coaching affects examination-related stress and health in medical students. We conducted a randomized controlled trial. Students who registered for the first medical academic examination in August 2014 at the University of Lübeck were recruited and randomized into three groups. The intervention groups 1 and 2 received a 1-hour psychoeducative seminar. Group 1 additionally received two 1-hour sessions of individual coaching during examination preparation. Group 3 served as a control group. We compared changes in self-rated general health (measured by a single item), anxiety and depression (measured by the hospital anxiety and depression scale), as well as medical school stress (measured by the perceived medical school stress instrument). In order to further investigate the influence of group allocation on perceived medical school stress, we conducted a linear regression analysis. We saw a significant deterioration of general health and an increase in anxiety and depression scores in medical students while preparing for an examination. We found a small, but statistically significant, effect of group allocation on the development of perceived medical school stress. However, we could not differentiate between the effects of group coaching only and group coaching in combination with two sessions of individual

  10. Object-oriented Markov random model for classification of high resolution satellite imagery based on wavelet transform

    Science.gov (United States)

    Hong, Liang; Liu, Cun; Yang, Kun; Deng, Ming

    2013-07-01

    The high resolution satellite imagery (HRSI) have higher spatial resolution and less spectrum number, so there are some "object with different spectra, different objects with same spectrum" phenomena. The objective of this paper is to utilize the extracted features of high resolution satellite imagery (HRSI) obtained by the wavelet transform(WT) for segmentation. WT provides the spatial and spectral characteristics of a pixel along with its neighbors. The object-oriented Markov random Model in the wavelet domain is proposed in order to segment high resolution satellite imagery (HRSI). The proposed method is made up of three blocks: (1) WT-based feature extrcation.the aim of extraction of feature using WT for original spectral bands is to exploit the spatial and frequency information of the pixels; (2) over-segmentation object generation. Mean-Shift algorithm is employed to obtain over-segmentation objects; (3) classification based on Object-oriented Markov Random Model. Firstly the object adjacent graph (OAG) can be constructed on the over-segmentation objects. Secondly MRF model is easily defined on the OAG, in which WT-based feature of pixels are modeled in the feature field model and the neighbor system, potential cliques and energy functions of OAG are exploited in the labeling model. Experiments are conducted on one HRSI dataset-QuickBird images. We evaluate and compare the proposed approach with the well-known commercial software eCognition(object-based analysis approach) and Maximum Likelihood(ML) based pixels. Experimental results show that the proposed the method in this paper obviously outperforms the other methods.

  11. Magnetic localization and orientation of the capsule endoscope based on a random complex algorithm

    Directory of Open Access Journals (Sweden)

    He XQ

    2015-04-01

    Full Text Available Xiaoqi He,1 Zizhao Zheng,1,2 Chao Hu1 1Ningbo Institute of Technology, Zhejiang University, Ningbo, People's Republic of China; 2Taiyuan University of Science and Technology, Taiyuan, People's Republic of China Abstract: The development of the capsule endoscope has made possible the examination of the whole gastrointestinal tract without much pain. However, there are still some important problems to be solved, among which, one important problem is the localization of the capsule. Currently, magnetic positioning technology is a suitable method for capsule localization, and this depends on a reliable system and algorithm. In this paper, based on the magnetic dipole model as well as magnetic sensor array, we propose nonlinear optimization algorithms using a random complex algorithm, applied to the optimization calculation for the nonlinear function of the dipole, to determine the three-dimensional position parameters and two-dimensional direction parameters. The stability and the antinoise ability of the algorithm is compared with the Levenberg–Marquart algorithm. The simulation and experiment results show that in terms of the error level of the initial guess of magnet location, the random complex algorithm is more accurate, more stable, and has a higher “denoise” capacity, with a larger range for initial guess values. Keywords: wireless capsule endoscope, magnet, optimization 

  12. Emergency Department Management of Sepsis Patients: A Randomized, Goal-Oriented, Noninvasive Sepsis Trial.

    Science.gov (United States)

    Kuan, Win Sen; Ibrahim, Irwani; Leong, Benjamin S H; Jain, Swati; Lu, Qingshu; Cheung, Yin Bun; Mahadevan, Malcolm

    2016-03-01

    The noninvasive cardiac output monitor and passive leg-raising maneuver has been shown to be reasonably accurate in predicting fluid responsiveness in critically ill patients. We examine whether using a noninvasive protocol would result in more rapid lactate clearance after 3 hours in patients with severe sepsis and septic shock in the emergency department. In this open-label randomized controlled trial, 122 adult patients with sepsis and serum lactate concentration of greater than or equal to 3.0 mmol/L were randomized to receive usual care or intravenous fluid bolus administration guided by measurements of change of stroke volume index, using the noninvasive cardiac output monitor after passive leg-raising maneuver. The primary outcome was lactate clearance of more than 20% at 3 hours. Secondary outcomes included mortality, length of hospital and ICU stay, and total hospital cost. Analysis was intention to treat. Similar proportions of patients in the randomized intervention group (70.5%; N=61) versus control group (73.8%; N=61) achieved the primary outcome, with a relative risk of 0.96 (95% confidence interval [CI] 0.77 to 1.19). Secondary outcomes were similar in both groups (P>.05 for all comparisons). Hospital mortality occurred in 6 patients (9.8%) each in the intervention and control groups on or before 28 days (relative risk=1.00; 95% CI 0.34 to 2.93). Among a subgroup of patients with underlying fluid overload states, those in the intervention group tended to receive clinically significantly more intravenous fluids at 3 hours (difference=975 mL; 95% CI -450 to 1,725 mL) and attained better lactate clearance (difference=19.7%; 95% CI -34.6% to 60.2%) compared with the control group, with shorter hospital lengths of stay (difference=-4.5 days; 95% CI -9.5 to 2.5 days). Protocol-based fluid resuscitation of patients with severe sepsis and septic shock with the noninvasive cardiac output monitor and passive leg-raising maneuver did not result in better

  13. Photoinduced orientation in natural rubber

    Science.gov (United States)

    de Souza, Nara C.; Cavalheri, Adriana S.; Brito, Jackeline B.; Job, Aldo E.; Oliveira, Osvaldo N.; Giacometti, José A.; Silva, Josmary R.

    2012-04-01

    Azobenzene molecules and their derivatives have been widely investigated for their potential applications in optical and electrooptical devices. We have prepared a new guest-host system from natural rubber (NR) impregnated with azobenzene derivative Sudan Red B (SRB). The effects of stretching and immersion time on photoinduced orientation were investigated by birefringence signal measurements. We have found that the molecular orientation increase when the samples are stretched and decrease with the increase of immersion time. The first behavior was explained by using the random coil model and the latter was attributed to increase of the aggregation of SRB into NR matrix.

  14. Resource-oriented coaching for reduction of examination-related stress in medical students: an exploratory randomized controlled trial

    Directory of Open Access Journals (Sweden)

    Kötter T

    2016-08-01

    Full Text Available Thomas Kötter,1 Frank Niebuhr2 1Institute of Social Medicine and Epidemiology, 2Institute of Family Medicine, University of Lübeck, Lübeck, Germany Introduction: The years spent in acquiring medical education is considered a stressful period in the life of many students. Students whose mental health deteriorates during this long period of study are less likely to become empathic and productive physicians. In addition to other specific stressors, academic examinations seem to further induce medical school-related stress and anxiety. Combined group and individual resource-oriented coaching early in medical education might reduce examination-related stress and anxiety and, consequently, enhance academic performance. Good quality evidence, however, remains scarce. In this study, therefore, we explored the question of whether coaching affects examination-related stress and health in medical students.Methods: We conducted a randomized controlled trial. Students who registered for the first medical academic examination in August 2014 at the University of Lübeck were recruited and randomized into three groups. The intervention groups 1 and 2 received a 1-hour psychoeducative seminar. Group 1 additionally received two 1-hour sessions of individual coaching during examination preparation. Group 3 served as a control group. We compared changes in self-rated general health (measured by a single item, anxiety and depression (measured by the hospital anxiety and depression scale, as well as medical school stress (measured by the perceived medical school stress instrument. In order to further investigate the influence of group allocation on perceived medical school stress, we conducted a linear regression analysis.Results: We saw a significant deterioration of general health and an increase in anxiety and depression scores in medical students while preparing for an examination. We found a small, but statistically significant, effect of group allocation on

  15. The effect of integrated emotion-oriented care versus usual care on elderly persons with dementia in the nursing home and on nursing assistants: a randomized clinical trial

    NARCIS (Netherlands)

    Finnema, E.J.; Dr�es, R.M.; Ettema, T.P.; Ooms, M.E.; Adèr, H.J.; Ribbe, M.W.; van Tilburg, W.

    2005-01-01

    Objectives: To examine the effect of integrated emotion-oriented care on nursing home residents with dementia and nursing assistants. Design: A multi-site randomized clinical trial with matched groups, and measurements at baseline and after seven months. Setting: Sixteen psychogeriatric wards in

  16. The effect of integrated emotion-oriented care versus usual care on elderly persons with dementia in the nursing home and on nursing assistants: a randomized clinical trial

    NARCIS (Netherlands)

    Finnema, E.J.; Dr�es, R.M.; Ettema, T.P.; Ooms, M.E.; Adèr, H.J.; Ribbe, M.W.; Tilburg, van W.

    2005-01-01

    OBJECTIVES: To examine the effect of integrated emotion-oriented care on nursing home residents with dementia and nursing assistants. DESIGN: A multi-site randomized clinical trial with matched groups, and measurements at baseline and after seven months. SETTING: Sixteen psychogeriatric wards in

  17. Standard practice for X-Ray determination of retained austenite in steel with near random crystallographic orientation

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    2003-01-01

    1.1 This practice covers the determination of retained austenite phase in steel using integrated intensities (area under peak above background) of X-ray diffraction peaks using chromium Kα or molybdenum Kα X-radiation. 1.2 The method applies to carbon and alloy steels with near random crystallographic orientations of both ferrite and austenite phases. 1.3 This practice is valid for retained austenite contents from 1 % by volume and above. 1.4 If possible, X-ray diffraction peak interference from other crystalline phases such as carbides should be eliminated from the ferrite and austenite peak intensities. 1.5 Substantial alloy contents in steel cause some change in peak intensities which have not been considered in this method. Application of this method to steels with total alloy contents exceeding 15 weight % should be done with care. If necessary, the users can calculate the theoretical correction factors to account for changes in volume of the unit cells for austenite and ferrite resulting from vari...

  18. Effect of oriental medicine music therapy on patients with Hwa-byung: a study protocol for a randomized controlled trial.

    Science.gov (United States)

    Park, Jeong-Su; Park, Sunju; Cheon, Chun-Hoo; Jang, Bo-Hyoung; Lee, Song-Hee; Lee, Seung-Hyun; Chung, Sun-Yong; Kim, Jong-Woo; Jeon, Chan-Yong; Park, Jong-Hyeong; Shin, Yong-Cheol; Ko, Seong-Gyu

    2012-09-11

    Hwa-byung, a Korean culture-bound syndrome with both psychological and somatic symptoms, is also known as 'anger syndrome'. It includes various physical symptoms including anxiety, a feeling of overheating, a sensation of pressure on the chest, heart palpitations, respiratory stuffiness, insomnia, and anxiety. The proposed study is a single-center, double-blind, randomized, controlled trial with two parallel arms: an oriental medicine music therapy (OMMT) group and a control music therapy (CMT) group. In total, 48 patients will be enrolled into the trial. The first visit will be the screening visit. At baseline (visit 2), all participants fulfilling both the inclusion and the exclusion criteria will be split and randomly divided into two equal groups: the OMMT and the CMT (n = 24 each). Each group will receive treatment sessions over the course of 4 weeks, twice per week, for eight sessions in total. The primary outcome is the State-Trait Anxiety Inventory (STAI), and the secondary outcomes are the Hwa-byung scale (H-scale), the Center for Epidemiologic Studies Depression Scale (CES-D), the Hwa-byung visual analogue scale (H-VAS) for primary symptoms, the World Health Organization Quality of Life scale, brief version (WHOQOL-BREF), and levels of salivary cortisol. Patients will be asked to complete questionnaires at the baseline visit (visit 2), after the last treatment session (visit 9), and at 4 weeks after the end of all trial sessions (visit 10). From the baseline (visit 2) through the follow-up (visit 10), the entire process will take a total of 53 days. This proposed study targets patients with Hwa-byung, especially those who have exhibited symptoms of anxiety. Therefore, the primary outcome is set to measure the level of anxiety. OMMT is music therapy combined with traditional Korean medicinal theories. Unlike previously reported music therapies, for which patients simply listen to music passively, in OMMT, patients actively move their bodies and play the

  19. Effect of oriental medicine music therapy on patients with Hwa-byung: a study protocol for a randomized controlled trial

    Science.gov (United States)

    2012-01-01

    Background Hwa-byung, a Korean culture-bound syndrome with both psychological and somatic symptoms, is also known as ‘anger syndrome’. It includes various physical symptoms including anxiety, a feeling of overheating, a sensation of pressure on the chest, heart palpitations, respiratory stuffiness, insomnia, and anxiety. Methods/design The proposed study is a single-center, double-blind, randomized, controlled trial with two parallel arms: an oriental medicine music therapy (OMMT) group and a control music therapy (CMT) group. In total, 48 patients will be enrolled into the trial. The first visit will be the screening visit. At baseline (visit 2), all participants fulfilling both the inclusion and the exclusion criteria will be split and randomly divided into two equal groups: the OMMT and the CMT (n = 24 each). Each group will receive treatment sessions over the course of 4 weeks, twice per week, for eight sessions in total. The primary outcome is the State-Trait Anxiety Inventory (STAI), and the secondary outcomes are the Hwa-byung scale (H-scale), the Center for Epidemiologic Studies Depression Scale (CES-D), the Hwa-byung visual analogue scale (H-VAS) for primary symptoms, the World Health Organization Quality of Life scale, brief version (WHOQOL-BREF), and levels of salivary cortisol. Patients will be asked to complete questionnaires at the baseline visit (visit 2), after the last treatment session (visit 9), and at 4 weeks after the end of all trial sessions (visit 10). From the baseline (visit 2) through the follow-up (visit 10), the entire process will take a total of 53 days. Discussion This proposed study targets patients with Hwa-byung, especially those who have exhibited symptoms of anxiety. Therefore, the primary outcome is set to measure the level of anxiety. OMMT is music therapy combined with traditional Korean medicinal theories. Unlike previously reported music therapies, for which patients simply listen to music passively, in OMMT, patients

  20. Effect of oriental medicine music therapy on patients with Hwa-byung: a study protocol for a randomized controlled trial

    Directory of Open Access Journals (Sweden)

    Park Jeong-Su

    2012-09-01

    Full Text Available Abstract Background Hwa-byung, a Korean culture-bound syndrome with both psychological and somatic symptoms, is also known as ‘anger syndrome’. It includes various physical symptoms including anxiety, a feeling of overheating, a sensation of pressure on the chest, heart palpitations, respiratory stuffiness, insomnia, and anxiety. Methods/design The proposed study is a single-center, double-blind, randomized, controlled trial with two parallel arms: an oriental medicine music therapy (OMMT group and a control music therapy (CMT group. In total, 48 patients will be enrolled into the trial. The first visit will be the screening visit. At baseline (visit 2, all participants fulfilling both the inclusion and the exclusion criteria will be split and randomly divided into two equal groups: the OMMT and the CMT (n = 24 each. Each group will receive treatment sessions over the course of 4 weeks, twice per week, for eight sessions in total. The primary outcome is the State-Trait Anxiety Inventory (STAI, and the secondary outcomes are the Hwa-byung scale (H-scale, the Center for Epidemiologic Studies Depression Scale (CES-D, the Hwa-byung visual analogue scale (H-VAS for primary symptoms, the World Health Organization Quality of Life scale, brief version (WHOQOL-BREF, and levels of salivary cortisol. Patients will be asked to complete questionnaires at the baseline visit (visit 2, after the last treatment session (visit 9, and at 4 weeks after the end of all trial sessions (visit 10. From the baseline (visit 2 through the follow-up (visit 10, the entire process will take a total of 53 days. Discussion This proposed study targets patients with Hwa-byung, especially those who have exhibited symptoms of anxiety. Therefore, the primary outcome is set to measure the level of anxiety. OMMT is music therapy combined with traditional Korean medicinal theories. Unlike previously reported music therapies, for which patients simply listen to music passively, in

  1. The Influence of Coping-oriented Hypnotic Suggestions on Chronic Pain in Patients with Spinal Cord Injury (SCI): A Randomized Controlled Study

    DEFF Research Database (Denmark)

    Knudsen, Lone; Kjøgx, Heidi; Kasch, Helge

    Background and aims: Coping-oriented hypnotic suggestions aimed at reducing pain catastrophizing have been shown to reduce pain in people with chronic tension-type headache and experimental pain in healthy volunteers during hypnosis (Kjøgx et al., 2016). However, the effect on pain post-hypnosis...... is unknown. The aim is to investigate the effect of coping-oriented hypnotic suggestions on chronic pain post-hypnosis. Methods: Seventy-five SCI-patients with chronic pain (>3, NRS 0-10) are randomized into one of three conditions; 1) coping-oriented hypnosis plus current treatment, 2) neutral hypnosis plus...... Strategies Questionnaire), pain catastrophizing (Pain Catastrophizing Scale), anxiety and depression (Hospital Anxiety and Depression Scale). Patients’ global impression of change and side effects of the hypnosis are also assessed for 14 days post-intervention. Results: Preliminary results will be presented...

  2. Core stability exercise is as effective as task-oriented motor training in improving motor proficiency in children with developmental coordination disorder: a randomized controlled pilot study.

    Science.gov (United States)

    Au, Mei K; Chan, Wai M; Lee, Lin; Chen, Tracy Mk; Chau, Rosanna Mw; Pang, Marco Yc

    2014-10-01

    To compare the effectiveness of a core stability program with a task-oriented motor training program in improving motor proficiency in children with developmental coordination disorder (DCD). Randomized controlled pilot trial. Outpatient unit in a hospital. Twenty-two children diagnosed with DCD aged 6-9 years were randomly allocated to the core stability program or the task-oriented motor program. Both groups underwent their respective face-to-face training session once per week for eight consecutive weeks. They were also instructed to carry out home exercises on a daily basis during the intervention period. Short Form of the Bruininks-Oseretsky Test of Motor Proficiency (Second Edition) and Sensory Organization Test at pre- and post-intervention. Intention-to-treat analysis revealed no significant between-group difference in the change of motor proficiency standard score (P=0.717), and composite equilibrium score derived from the Sensory Organization Test (P=0.100). Further analysis showed significant improvement in motor proficiency in both the core stability (mean change (SD)=6.3(5.4); p=0.008) and task-oriented training groups (mean change(SD)=5.1(4.0); P=0.007). The composite equilibrium score was significantly increased in the task-oriented training group (mean change (SD)=6.0(5.5); P=0.009), but not in the core stability group (mean change(SD) =0.0(9.6); P=0.812). In the task-oriented training group, compliance with the home program was positively correlated with change in motor proficiency (ρ=0.680, P=0.030) and composite equilibrium score (ρ=0.638, P=0.047). The core stability exercise program is as effective as task-oriented training in improving motor proficiency among children with DCD. © The Author(s) 2014.

  3. Omitted data in randomized controlled trials for anxiety and depression: A systematic review of the inclusion of sexual orientation and gender identity.

    Science.gov (United States)

    Heck, Nicholas C; Mirabito, Lucas A; LeMaire, Kelly; Livingston, Nicholas A; Flentje, Annesa

    2017-01-01

    The current study examined the frequency with which randomized controlled trials (RCTs) of behavioral and psychological interventions for anxiety and depression include data pertaining to participant sexual orientation and nonbinary gender identities. Using systematic review methodology, the databases PubMed and PsycINFO were searched to identify RCTs published in 2004, 2009, and 2014. Random selections of 400 articles per database per year (2,400 articles in total) were considered for inclusion in the review. Articles meeting inclusion criteria were read and coded by the research team to identify whether the trial reported data pertaining to participant sexual orientation and nonbinary gender identities. Additional trial characteristics were also identified and indexed in our database (e.g., sample size, funding source). Of the 232 articles meeting inclusion criteria, only 1 reported participants' sexual orientation, and zero articles included nonbinary gender identities. A total of 52,769 participants were represented in the trials, 93 of which were conducted in the United States, and 43 acknowledged the National Institutes of Health as a source of funding. Despite known mental health disparities on the basis of sexual orientation and nonbinary gender identification, researchers evaluating interventions for anxiety and depression are not reporting on these important demographic characteristics. Reporting practices must change to ensure that our interventions generalize to lesbian, gay, bisexual, and transgender persons. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

  4. Effects of task-oriented robot training on arm function, activity, and quality of life in chronic stroke patients: a randomized controlled trial.

    Science.gov (United States)

    Timmermans, Annick A A; Lemmens, Ryanne J M; Monfrance, Maurice; Geers, Richard P J; Bakx, Wilbert; Smeets, Rob J E M; Seelen, Henk A M

    2014-03-31

    Over fifty percent of stroke patients experience chronic arm hand performance problems, compromising independence in daily life activities and quality of life. Task-oriented training may improve arm hand performance after stroke, whereby augmented therapy may lead to a better treatment outcome. Technology-supported training holds opportunities for increasing training intensity. However, the effects of robot-supported task-oriented training with real life objects in stroke patients are not known to date. The aim of the present study was to investigate the effectiveness and added value of the Haptic Master robot combined with task-oriented arm hand training in chronic stroke patients. In a single-blind randomized controlled trial, 22 chronic stroke patients were randomly allocated to receive either task-oriented robot-assisted arm-hand training (experimental group) or task-oriented non-robotic arm-hand training (control group). For training, the T-TOAT (Technology-supported Task-Oriented Arm Training) method was applied. Training was provided during 8 weeks, 4 times/week, 2 × 30 min/day. A significant improvement after training on the Action Research Arm Test (ARAT) was demonstrated in the experimental group (p = 0.008). Results were maintained until 6 months after cessation of the training. On the perceived performance measure (Motor Activity Log (MAL)), both, the experimental and control group improved significantly after training (control group p = 0.008; experimental group p = 0.013). The improvements on MAL in both groups were maintained until 6 months after cessation of the training. With regard to quality of life, only in the control group a significant improvement after training was found (EuroQol-5D p = 0.015, SF-36 physical p = 0.01). However, the improvement on SF-36 in the control group was not maintained (p = 0.012). No between-group differences could be demonstrated on any of the outcome measures. Arm hand performance improved in chronic stroke

  5. Effects of aminaftone 75 mg TID on soluble adhesion molecules: a 12-week, randomized, open-label pilot study in patients with systemic sclerosis.

    Science.gov (United States)

    Scorza, Raffaella; Santaniello, Alessandro; Salazar, Giulia; Lenna, Stefania; Della Bella, Silvia; Antonioli, Rita; Toussoun, Karen; Beretta, Lorenzo

    2008-05-01

    Vasculopathy is one of the hallmarks of systemic sclerosis (SSc), characterized by endothelial activation and over expression of adhesion molecules. A preliminary in vitro study has suggested that aminaftone, a naphtohydrochinone used in the treatment of capillary disorders, may downregulate the expression of adhesion molecules in endothelial cells. This study investigated the ex vivo effects of aminaftone on soluble adhesion molecule concentrations in patients with SSc. This randomized, open-label pilot study was conducted in patients with SSc. Patients received baseline treatment for Raynaud's phenomenon (eg, calcium channel blockers and IV cyclic iloprost) with (test) or without (control) aminaftone 75 mg or placebo TID for 12 weeks. Standard treatment for Raynaud's phenomenon was allowed as long as the dose was stable for >or=3 months prior to randomization. Concentrations of soluble E-selectin adhesion molecule 1 (sELAM-1), soluble vascular cell adhesion molecule 1 (sVCAM-1), and soluble intracellular adhesion molecule 1 (sICAM-1) were measured at baseline and 12 weeks, and their variation was tested using the analysis of variance for repeated measures with statistical correction. Laboratory analyses were performed by experienced personnel blinded to treatment assignment. A total of 24 patients were enrolled (21 women, 3 men; mean age, 53.4 years; aminaftone, 12 patients; control, 12 patients). Decreases in mean (SD) sELAM-1 and sVCAM-1 concentrations were significantly greater in treated patients (sELAM-1, from 17.0 [7.8] to 11.9 [9.0] pg/mL; sVCAM-1, from 51.2 [12.9] to 40.8 [13.8] ng/mL) compared with controls (sELAM-1, from 20.3 [9.9] to 20.4 [10.5] pg/mL; sVCAM-1, from 56.8 [49.6] to 62.7 [40.6] ng/mL) (both, P < 0.05 [analysis of variance or repeated measures after Bonferroni correction]). No significant changes in sICAM-1 concentrations versus controls were observed. In this small pilot study in this select group of patients with SSc, aminaftone was

  6. Economic evaluation of schema therapy and clarification-oriented psychotherapy for personality disorders: A multicenter, randomized controlled trial

    NARCIS (Netherlands)

    Bamelis, L.L.M.; Arntz, A.; Wetzelaer, P.; Verdoorn, R.; Evers, S.M.A.A.

    2015-01-01

    Purpose: To compare from a societal perspective the cost-effectiveness and cost-utility of schema therapy, clarification-oriented psychotherapy, and treatment as usual for patients with avoidant, dependent, obsessive-compulsive, paranoid, histrionic, and/or narcissistic personality disorder. Method:

  7. Flow-alignment of bicellar lipid mixtures: orientations of probe molecules and membrane-associated biomacromolecules in lipid membranes studied with polarized light

    KAUST Repository

    Kogan, Maxim

    2011-01-01

    Bicelles are excellent membrane-mimicking hosts for a dynamic and structural study of solutes with NMR, but the magnetic fields required for their alignment are hard to apply to optical conditions. Here we demonstrate that bicellar mixtures can be aligned by shear forces in a Couette flow cell, to provide orientation of membrane-bound retinoic acid, pyrene and cytochrome c (cyt c) protein, conveniently studied with linear dichroism spectroscopy. © 2011 The Royal Society of Chemistry.

  8. Watching single molecules dance

    Science.gov (United States)

    Mehta, Amit Dinesh

    Molecular motors convert chemical energy, from ATP hydrolysis or ion flow, into mechanical motion. A variety of increasingly precise mechanical probes have been developed to monitor and perturb these motors at the single molecule level. Several outstanding questions can be best approached at the single molecule level. These include: how far does a motor progress per energy quanta consumed? how does its reaction cycle respond to load? how many productive catalytic cycles can it undergo per diffusional encounter with its track? and what is the mechanical stiffness of a single molecule connection? A dual beam optical trap, in conjunction with in vitro ensemble motility assays, has been used to characterize two members of the myosin superfamily: muscle myosin II and chick brain myosin V. Both move the helical polymer actin, but myosin II acts in large ensembles to drive muscle contraction or cytokinesis, while myosin V acts in small numbers to transport vesicles. An optical trapping apparatus was rendered sufficiently precise to identify a myosin working stroke with 1nm or so, barring systematic errors such as those perhaps due to random protein orientations. This and other light microscopic motility assays were used to characterize myosin V: unlike myosin II this vesicle transport protein moves through many increments of travel while remaining strongly bound to a single actin filament. The step size, stall force, and travel distance of myosin V reveal a remarkably efficient motor capable of moving along a helical track for over a micrometer without significantly spiraling around it. Such properties are fully consistent with the putative role of an organelle transport motor, present in small numbers to maintain movement over long ranges relative to cellular size scales. The contrast between myosin II and myosin V resembles that between a human running on the moon and one walking on earth, where the former allows for faster motion when in larger ensembles but for less

  9. Efficacy of Immunobiologic and Small Molecule Inhibitor Drugs for Psoriasis: A Systematic Review and Meta-Analysis of Randomized Clinical Trials.

    Science.gov (United States)

    de Carvalho, André Vicente Esteves; Duquia, Rodrigo Pereira; Horta, Bernardo Lessa; Bonamigo, Renan Rangel

    2017-03-01

    Psoriasis is an immune-mediated inflammatory disease for which treatment has evolved over the past few years due to the introduction of immunobiologic and small molecule inhibitor medications. A better understanding of the comparative efficacies of drugs may help doctors to choose the most appropriate treatment for patients. The aim of this study was to conduct a systematic review and meta-analysis to assess the efficacy of immunobiologic and small molecule inhibitor drugs for patients with moderate to severe psoriasis. The EMBASE, PUBMED, LILACS, Web of Science and ClinicalTrials.org databases were searched for trials published to 21 July 2016. Only randomized, double-blind, placebo-controlled clinical trials that evaluated the efficacy of immunobiologics or small molecule inhibitors for moderate to severe plaque-type psoriasis were selected by two independent authors. No restrictions were used. Two authors independently extracted the data and a random-effects model meta-analysis was performed. The Psoriasis Area and Severity Index (PASI) 75 was considered the primary outcome, measured at the primary endpoint of each study. Thirty-eight studies were included in our analysis. The overall pooled effect favored biologics and small molecule inhibitors over placebo (risk difference [RD] 0.59, 95% confidence interval [CI] 0.58-0.60). Ixekizumab at a dose of 160 mg on week 0 and then every 2 weeks (RD 0.84, 95% CI 0.81-0.88), brodalumab 210 mg (RD 0.79, 95% CI 0.76-0.82), infliximab 5 mg/kg (RD 0.76, 95% CI 0.73-0.79), and secukinumab 300 mg (RD 0.76, 95% CI 0.71-0.81) showed a greater chance of response (PASI 75) when compared with placebo. The methodology of a traditional meta-analysis does not allow for drugs to be ranked. Included studies used short-term endpoints (10-16 weeks) to evaluate the primary outcome, therefore long-term efficacy could not be determined. The anti-IL-17 drugs brodalumab, ixekizumab and secukinumab showed an equal or greater chance of

  10. A Randomized Trial to Measure the Efficacy of Applying Task Oriented Role Assignment to Improve Neonatal Resuscitation

    Science.gov (United States)

    2017-05-06

    DEPARTMENT OF THE AIR FORCE 59TH MEDICAL W ING (AETC) JOINT BASE SAN ANTONIO - LACKLAND TEXAS MEMORANOUMFORSGVT ATTN: MAJ CARRIE LITKE-WAGER...Author Litke· Wager, Carrie 0-4/Major 959/CSPS/ 59MDW/SGVT b. Mu, Thornton 0-5/LTC MCH E-ZDP-N SA MMC c. Delaney, Heather 0-4/ MAJ MCHE-ZDP-N SA MMC d...78234-2715 15 June 2016 Maj Carrie Litke-Wager, MD Brooke Army Medical Center Institutional Review Board A Randomized Trial to Measure the

  11. Performance of inverted polymer solar cells with randomly oriented ZnO nanorods coupled with atomic layer deposited ZnO

    Energy Technology Data Exchange (ETDEWEB)

    Zafar, Muhammad [School of Chemical Engineering, Chonnam National University, 300 Youngbong-dong, Gwangju 500-757 (Korea, Republic of); Yun, Ju-Young [Center for Vacuum, Korea Research Institute of Standards and Science, 267 Gajeong-ro, Daejeon 305-600 (Korea, Republic of); Kim, Do-Heyoung, E-mail: kdhh@chonnam.ac.kr [School of Chemical Engineering, Chonnam National University, 300 Youngbong-dong, Gwangju 500-757 (Korea, Republic of)

    2017-03-15

    Highlights: • Hydrothermally grown, randomly oriented, and low areal density ZnO nanorods have been successfully adopted as the electron transport layer in inverted organic solar cells. • The addition of atomic layer deposited ZnO on the ZnO nanorods effectively enhance the photovoltaic performances of inverted organic solar cells. • The inverted organic solar cells with 5 nm thick-ALD ZnO showed the highest power conversion efficiency of 3.08%, which is an enhancement of approximately 80% compared to the cells without the ALD ZnO layer (PCE = 1.67%). - Abstract: Nanostructuring of the electron transport layer (ETL) in organic photovoltaic cells (OPV) is of great interest because it increases the surface area of the cell and electron transport. In this work, hydrothermally grown, randomly oriented, and low areal density ZnO nanorods (NRs) have been adopted as the ETL, and the effect of adding atomic layer deposited (ALD) ZnO on the ZnO NRs on the inverted organic solar cell performance has been investigated. The fabricated inverted organic solar cell with 5-nm-thick ALD-ZnO grown on the ZnO NRs showed the highest power conversion efficiency (PCE) of 3.08%, which is an enhancement of 85% from that of the cell without ALD-ZnO (PCE = 1.67%). The ultrathin ALD-ZnO was found to act as a curing layer of the surface defects on the hydrothermally grown ZnO NRs, resulting in an improvement in photovoltaic performance.

  12. Algorithm for Reconstruction of 3D Images of Nanorice Particles from Diffraction Patterns of Two Particles in Independent Random Orientations with an X-ray Laser

    Directory of Open Access Journals (Sweden)

    Sung Soon Kim

    2017-06-01

    Full Text Available The method of angular correlations recovers quantities from diffraction patterns of randomly oriented particles, as expected to be measured with an X-ray free electron laser (XFEL, proportional to quadratic functions of the spherical harmonic expansion coefficients of the diffraction volume of a single particle. We have previously shown that it is possible to reconstruct a randomly oriented icosahedral or helical virus from the average over all measured diffraction patterns of such correlations. We point out in this paper that a structure of even simpler particles of 50 Å or so in diameter and consisting of heavier atomic elements (to enhance scattering that has been used as a test case for reconstructions from XFEL diffraction patterns can also be solved by this technique. Even though there has been earlier work on similar objects (prolate spheroids, one advantage of the present technique is its potential to also work with diffraction patterns not only due to single particles as has been suggested on the basis on nonoverlapping delta functions of angular scattering. Accordingly, we calculated from the diffraction patterns the angular momentum expansions of the pair correlations and triple correlations for general particle images and reconstructed those images in the standard way. Although the images looked pretty much the same, it is not totally clear to us that the angular correlations are exactly the same as different numbers of particles due to the possibility of constructive or destructive interference between the scattered waves from different particles. It is of course known that, for a large number of particles contributing to a diffraction parttern, the correlations converge to that of a single particle. It could be that the lack of perfect agreement between the images reconstructed with one and two particles is due to uncancelling constructive and destructive conditions that are not found in the case of solution scattering.

  13. Efficacy of a Peer-Led, Recovery-Oriented Shared Decision-Making System: A Pilot Randomized Controlled Trial.

    Science.gov (United States)

    Yamaguchi, Sosei; Taneda, Ayano; Matsunaga, Asami; Sasaki, Natsuki; Mizuno, Masashi; Sawada, Yumiko; Sakata, Masuhiro; Fukui, Satoe; Hisanaga, Fumie; Bernick, Peter; Ito, Junichiro

    2017-12-01

    The effects of a comprehensive shared decision-making system based on the CommonGround approach and incorporating peer support and a computerized decision aid were investigated. A pilot randomized controlled trial with six-month follow-up was conducted in Japan. Fifty-six outpatients with mental illness were randomly allocated to a shared decision-making system (intervention) group or treatment as usual (control) group. The implementation process and several outcomes were compared between groups. The core components and processes of shared decision making were observed in the intervention group more frequently than in the control group. The intervention group also reported a significantly more positive participants' view of the relationship with their doctor than the control group. The intervention did not have a significant effect on most clinical and recovery-related outcomes. The shared decision-making system appeared to partly improve patients' perceptions of communication and relationships with doctors but did not have a significant effect on other patient-level outcomes.

  14. The PULSAR Specialist Care protocol: a stepped-wedge cluster randomized control trial of a training intervention for community mental health teams in recovery-oriented practice.

    Science.gov (United States)

    Shawyer, Frances; Enticott, Joanne C; Brophy, Lisa; Bruxner, Annie; Fossey, Ellie; Inder, Brett; Julian, John; Kakuma, Ritsuko; Weller, Penelope; Wilson-Evered, Elisabeth; Edan, Vrinda; Slade, Mike; Meadows, Graham N

    2017-05-08

    Recovery features strongly in Australian mental health policy; however, evidence is limited for the efficacy of recovery-oriented practice at the service level. This paper describes the Principles Unite Local Services Assisting Recovery (PULSAR) Specialist Care trial protocol for a recovery-oriented practice training intervention delivered to specialist mental health services staff. The primary aim is to evaluate whether adult consumers accessing services where staff have received the intervention report superior recovery outcomes compared to adult consumers accessing services where staff have not yet received the intervention. A qualitative sub-study aims to examine staff and consumer views on implementing recovery-oriented practice. A process evaluation sub-study aims to articulate important explanatory variables affecting the interventions rollout and outcomes. The mixed methods design incorporates a two-step stepped-wedge cluster randomized controlled trial (cRCT) examining cross-sectional data from three phases, and nested qualitative and process evaluation sub-studies. Participating specialist mental health care services in Melbourne, Victoria are divided into 14 clusters with half randomly allocated to receive the staff training in year one and half in year two. Research participants are consumers aged 18-75 years who attended the cluster within a previous three-month period either at baseline, 12 (step 1) or 24 months (step 2). In the two nested sub-studies, participation extends to cluster staff. The primary outcome is the Questionnaire about the Process of Recovery collected from 756 consumers (252 each at baseline, step 1, step 2). Secondary and other outcomes measuring well-being, service satisfaction and health economic impact are collected from a subset of 252 consumers (63 at baseline; 126 at step 1; 63 at step 2) via interviews. Interview-based longitudinal data are also collected 12 months apart from 88 consumers with a psychotic disorder

  15. Improvements in Orientation and Balancing Abilities in Response to One Month of Intensive Slackline-Training. A Randomized Controlled Feasibility Study.

    Science.gov (United States)

    Dordevic, Milos; Hökelmann, Anita; Müller, Patrick; Rehfeld, Kathrin; Müller, Notger G

    2017-01-01

    Background: Slackline-training has been shown to improve mainly task-specific balancing skills. Non-task specific effects were assessed for tandem stance and preferred one-leg stance on stable and perturbed force platforms with open eyes. It is unclear whether transfer effects exist for other balancing conditions and which component of the balancing ability is affected. Also, it is not known whether slackline-training can improve non-visual-dependent spatial orientation abilities, a function mainly supported by the hippocampus. Objective: To assess the effect of one-month of slackline-training on different components of balancing ability and its transfer effects on non-visual-dependent spatial orientation abilities. Materials and Methods: Fifty subjects aged 18-30 were randomly assigned to the training group (T) (n = 25, 23.2 ± 2.5 years; 12 females) and the control group (C) (n = 25, 24.4 ± 2.8 years; 11 females). Professional instructors taught the intervention group to slackline over four consecutive weeks with three 60-min-trainings in each week. Data acquisition was performed (within 2 days) by blinded investigators at the baseline and after the training. Main outcomes Improvement in the score of a 30-item clinical balance test (CBT) developed at our institute (max. score = 90 points) and in the average error distance (in centimeters) in an orientation test (OT), a triangle completion task with walking and wheelchair conditions for 60°, 90°, and 120°. Results: Training group performed significantly better on the closed-eyes conditions of the CBT (1.6 points, 95% CI: 0.6 to 2.6 points vs. 0.1 points, 95% CI: -1 to 1.1 points; p = 0.011, [Formula: see text] = 0.128) and in the wheelchair (vestibular) condition of the OT (21 cm, 95% CI: 8-34 cm vs. 1 cm, 95% CI: -14-16 cm; p = 0.049, [Formula: see text] = 0.013). Conclusion: Our results indicate that one month of intensive slackline training is a novel approach for enhancing clinically relevant balancing

  16. Comparison of Cognitive Orientation to daily Occupational Performance and conventional occupational therapy on occupational performance in individuals with stroke: A randomized controlled trial.

    Science.gov (United States)

    Ahn, Si-Nae; Yoo, Eun-Young; Jung, Min-Ye; Park, Hae-Yean; Lee, Ji-Yeon; Choi, Yoo-Im

    2017-01-01

    Cognitive Orientation to daily Occupational Performance (CO-OP) approach based on cognitive strategy in occupational therapy. To investigate the effects of CO-OP approach on occupational performance in individuals with hemiparetic stroke. This study was designed as a 5-week, randomized, single-blind. Forty-three participants who had a diagnosis of first stroke were enrolled in this study. The participants were randomly assigned to the experimental group (n = 20) or the control group (n = 23). The experimental group conducted CO-OP approach while the control group conducted conventional occupational therapy based on occupational performance components. This study measured Canadian Occupational Performance Measure (COPM) and Performance Quality Rating Scale (PQRS). Outcome measurements were performed at baseline and post-intervention. After training, the scores of COPM and PQRS in trained task were significantly higher for the score in the experimental group than the control group. In addition, the non-trained task was significantly higher for the score in the experimental group than the control group in COPM and the PQRS. This study suggests that the CO-OP approach is beneficial effects on the occupational performance to improvement in individuals with hemiparetic stroke, and have positive effects on generalization and transfer of acquired skills.

  17. Effects of motive-oriented therapeutic relationship in early-phase treatment of borderline personality disorder: a pilot study of a randomized trial.

    Science.gov (United States)

    Kramer, Ueli; Berger, Thomas; Kolly, Stéphane; Marquet, Pierre; Preisig, Martin; de Roten, Yves; Despland, Jean-Nicolas; Caspar, Franz

    2011-04-01

    Motive-oriented therapeutic relationship (MOTR, also called complementary therapeutic relationship) was postulated to be a particularly helpful therapeutic ingredient in the early-phase treatment of patients with personality disorders, in particular borderline personality disorder (BPD). The present pilot study of randomized controlled trial using an add-on design aims to investigate the effects of MOTR in early-phase treatment (up to session 10), with BPD patients on therapeutic alliance, session impact, and outcome. In total, N = 25 patients participated in the study. BPD patients were randomly allocated to a manual-based investigation process in 10 sessions or to the same investigation process infused with MOTR. Adherence ratings were performed and yielded satisfactory results. The results suggested a specific effectiveness of MOTR on the interpersonal problem area, on the quality of the therapeutic alliance and the quality of the therapeutic relationship, as rated by the patient. These results may have important clinical implications for the early-phase treatment of patients presenting with BPD.

  18. Effects of motive-oriented therapeutic relationship in a ten-session general psychiatric treatment of borderline personality disorder: a randomized controlled trial.

    Science.gov (United States)

    Kramer, Ueli; Kolly, Stéphane; Berthoud, Laurent; Keller, Sabine; Preisig, Martin; Caspar, Franz; Berger, Thomas; de Roten, Yves; Marquet, Pierre; Despland, Jean-Nicolas

    2014-01-01

    Motive-oriented therapeutic relationship (MOTR) was postulated to be a particularly helpful therapeutic ingredient in the early treatment phase of patients with personality disorders, in particular with borderline personality disorder (BPD). The present randomized controlled study using an add-on design is the first study to test this assumption in a 10-session general psychiatric treatment with patients presenting with BPD on symptom reduction and therapeutic alliance. A total of 85 patients were randomized. They were either allocated to a manual-based short variant of the general psychiatric management (GPM) treatment (in 10 sessions) or to the same treatment where MOTR was deliberately added to the treatment. Treatment attrition and integrity analyses yielded satisfactory results. The results of the intent-to-treat analyses suggested a global efficacy of MOTR, in the sense of an additional reduction of general problems, i.e. symptoms, interpersonal and social problems (F1, 73 = 7.25, p < 0.05). However, they also showed that MOTR did not yield an additional reduction of specific borderline symptoms. It was also shown that a stronger therapeutic alliance, as assessed by the therapist, developed in MOTR treatments compared to GPM (Z55 = 0.99, p < 0.04). These results suggest that adding MOTR to psychiatric and psychotherapeutic treatments of BPD is promising. Moreover, the findings shed additional light on the perspective of shortening treatments for patients presenting with BPD. © 2014 S. Karger AG, Basel.

  19. Mindfulness-Oriented Recovery Enhancement versus CBT for co-occurring substance dependence, traumatic stress, and psychiatric disorders: Proximal outcomes from a pragmatic randomized trial.

    Science.gov (United States)

    Garland, Eric L; Roberts-Lewis, Amelia; Tronnier, Christine D; Graves, Rebecca; Kelley, Karen

    2016-02-01

    In many clinical settings, there is a high comorbidity between substance use disorders, psychiatric disorders, and traumatic stress. Novel therapies are needed to address these co-occurring issues efficiently. The aim of the present study was to conduct a pragmatic randomized controlled trial comparing Mindfulness-Oriented Recovery Enhancement (MORE) to group Cognitive-Behavioral Therapy (CBT) and treatment-as-usual (TAU) for previously homeless men residing in a therapeutic community. Men with co-occurring substance use and psychiatric disorders, as well as extensive trauma histories, were randomly assigned to 10 weeks of group treatment with MORE (n = 64), CBT (n = 64), or TAU (n = 52). Study findings indicated that from pre-to post-treatment MORE was associated with modest yet significantly greater improvements in substance craving, post-traumatic stress, and negative affect than CBT, and greater improvements in post-traumatic stress and positive affect than TAU. A significant indirect effect of MORE on decreasing craving and post-traumatic stress by increasing dispositional mindfulness was observed, suggesting that MORE may target these issues via enhancing mindful awareness in everyday life. This pragmatic trial represents the first head-to-head comparison of MORE against an empirically-supported treatment for co-occurring disorders. Results suggest that MORE, as an integrative therapy designed to bolster self-regulatory capacity, may hold promise as a treatment for intersecting clinical conditions. Copyright © 2015 Elsevier Ltd. All rights reserved.

  20. Nanocapsule-based probe for evaluating the orientation of antibodies immobilized on a solid phase.

    Science.gov (United States)

    Iijima, Masumi; Yoshimoto, Nobuo; Niimi, Tomoaki; Maturana, Andrés Daniel; Kuroda, Shun'ichi

    2013-06-21

    The orientation of sensing molecules on solid phase biosensors has to be optimized to facilitate efficient binding of analytes. Since conventional observation methods (e.g., electron microscopy, atomic force microscopy, time-of-flight secondary ion mass spectrometry) require exaggerated machines and possess insufficient resolution for single molecule analyses, functional assays based on the reactivity to analytes have thus far been used for this optimization. However, it is not clear whether these assays can judge whether sensing molecules are fixed in an oriented-immobilization manner or not. Here, we describe that bio-nanocapsules of about 30 nm diameter, displaying approximately 120 molecules of a tandem form of the immunoglobulin (Ig) G Fc-binding Z domain (ZZ-BNCs), can discriminate between the Fc regions of IgGs fixed in an oriented-immobilization manner and those fixed randomly, thus facilitating the evaluation of the orientation of IgGs in immunosensors. Furthermore, in sandwich immunoassays, ZZ-BNCs can bind specifically to detection-IgGs fixed in an oriented-immobilization manner by antigen-capture IgG complexes, rather than to capture-IgGs fixed randomly onto a solid phase, allowing the simultaneous use of the same IgG as capture- and detection-IgGs. Thus, we demonstrate that ZZ-BNCs are a unique probe for evaluating the orientation of IgGs on a solid phase.

  1. The comparative effect of pioglitazone and metformin on serum osteoprotegerin, adiponectin and intercellular adhesion molecule concentrations in patients with newly diagnosed type 2 diabetes: a randomized clinical trial.

    Science.gov (United States)

    Esteghamati, A; Azizi, R; Ebadi, M; Noshad, S; Mousavizadeh, M; Afarideh, M; Nakhjavani, M

    2015-05-01

    The etiologic role of inflammatory pathways in the development of diabetic complications, especially cardiovascular events, has been established. The anti-inflammatory role of metformin and pioglitazone has been described; however, no study to date has compared the efficacy of these common oral agents in this regard. In this study, the authors aimed to compare the anti-inflammatory properties of pioglitazone and metformin, with respect to their effect on serum concentrations of highly sensitive C-reactive protein (hsCRP), osteoprotegerin (OPG), intercellular adhesion molecule-1 (ICAM-1) and adiponectin. In an open-label randomized clinical trial, 117 patients with newly diagnosed type 2 diabetes mellitus were visited; 84 fulfilled the inclusion criteria, and were randomly allocated to 2 arms receiving either 1,000 mg/d metformin or 30 mg/d pioglitazone, respectively. Biochemical assessments were made at baseline and the end of the 3 months trial. Significant reduction in FPG, insulin and HbA1c in women and men of both arms were observed. Log-hsCRP values significantly decreased in both arms. A decreasing, but non-significant trend in log-OPG levels was observed in women of the metformin arm (p=0.063). A greater reduction in log-ICAM levels was identifiable in men receiving pioglitazone compared to the other arm (p=0.008); in addition, the same trend was observed in log-OPG values (p=0.029). Nonetheless, reduction in log-ICAM and log-OPG levels was comparable between the 2 arms. A significant increase in adiponectin was observed in both men and women in the pioglitazone arm (pmetformin arm. Remarkably, patients receiving pioglitazone revealed more significant reduction in inflammatory markers. © Georg Thieme Verlag KG Stuttgart · New York.

  2. Feeling Thanks and Saying Thanks: A Randomized Controlled Trial Examining If and How Socially Oriented Gratitude Journals Work.

    Science.gov (United States)

    O'Connell, Brenda H; O'Shea, Deirdre; Gallagher, Stephen

    2017-10-01

    This study examined the effect of a reflective interpersonal gratitude journal, a reflective-behavioral interpersonal gratitude journal and an active control journal, on primary qualities of well-being and depression. Participants (n = 192; 67.2% female) completed this 3-month longitudinal randomized controlled design. Participants in the reflective-behavioral condition experienced the greatest improvements in affect balance and reductions in depression at immediate posttest. Both gratitude interventions improved affect balance at 1 month, compared to the control. Changes in affect balance for those in the reflective-behavioral condition were mediated by the rate at which people expressed gratitude in their existing relationships. This effect was moderated by participant's baseline depressive status. Expressing felt gratitude to others appears to be a crucial step in deriving benefits, and these benefits may not be limited to the emotionally healthy. Given the applied popularity of gratitude interventions, understanding not only if but also how they work is essential. © 2017 Wiley Periodicals, Inc.

  3. Mobile Augmented Reality as a Feature for Self-Oriented, Blended Learning in Medicine: Randomized Controlled Trial

    Science.gov (United States)

    2017-01-01

    Background Advantages of mobile Augmented Reality (mAR) application-based learning versus textbook-based learning were already shown in a previous study. However, it was unclear whether the augmented reality (AR) component was responsible for the success of the self-developed app or whether this was attributable to the novelty of using mobile technology for learning. Objective The study’s aim was to test the hypothesis whether there is no difference in learning success between learners who employed the mobile AR component and those who learned without it to determine possible effects of mAR. Also, we were interested in potential emotional effects of using this technology. Methods Forty-four medical students (male: 25, female: 19, mean age: 22.25 years, standard deviation [SD]: 3.33 years) participated in this study. Baseline emotional status was evaluated using the Profile of Mood States (POMS) questionnaire. Dermatological knowledge was ascertained using a single choice (SC) test (10 questions). The students were randomly assigned to learn 45 min with either a mobile learning method with mAR (group A) or without AR (group B). Afterwards, both groups were again asked to complete the previous questionnaires. AttrakDiff 2 questionnaires were used to evaluate the perceived usability as well as pragmatic and hedonic qualities. For capturing longer term effects, after 14 days, all participants were again asked to complete the SC questionnaire. All evaluations were anonymous, and descriptive statistics were calculated. For hypothesis testing, an unpaired signed-rank test was applied. Results For the SC tests, there were only minor differences, with both groups gaining knowledge (average improvement group A: 3.59 [SD 1.48]; group B: 3.86 [SD 1.51]). Differences between both groups were statistically insignificant (exact Mann Whitney U, U=173.5; P=.10; r=.247). However, in the follow-up SC test after 14 days, group A had retained more knowledge (average decrease of the

  4. Mobile Augmented Reality as a Feature for Self-Oriented, Blended Learning in Medicine: Randomized Controlled Trial.

    Science.gov (United States)

    Noll, Christoph; von Jan, Ute; Raap, Ulrike; Albrecht, Urs-Vito

    2017-09-14

    Advantages of mobile Augmented Reality (mAR) application-based learning versus textbook-based learning were already shown in a previous study. However, it was unclear whether the augmented reality (AR) component was responsible for the success of the self-developed app or whether this was attributable to the novelty of using mobile technology for learning. The study's aim was to test the hypothesis whether there is no difference in learning success between learners who employed the mobile AR component and those who learned without it to determine possible effects of mAR. Also, we were interested in potential emotional effects of using this technology. Forty-four medical students (male: 25, female: 19, mean age: 22.25 years, standard deviation [SD]: 3.33 years) participated in this study. Baseline emotional status was evaluated using the Profile of Mood States (POMS) questionnaire. Dermatological knowledge was ascertained using a single choice (SC) test (10 questions). The students were randomly assigned to learn 45 min with either a mobile learning method with mAR (group A) or without AR (group B). Afterwards, both groups were again asked to complete the previous questionnaires. AttrakDiff 2 questionnaires were used to evaluate the perceived usability as well as pragmatic and hedonic qualities. For capturing longer term effects, after 14 days, all participants were again asked to complete the SC questionnaire. All evaluations were anonymous, and descriptive statistics were calculated. For hypothesis testing, an unpaired signed-rank test was applied. For the SC tests, there were only minor differences, with both groups gaining knowledge (average improvement group A: 3.59 [SD 1.48]; group B: 3.86 [SD 1.51]). Differences between both groups were statistically insignificant (exact Mann Whitney U, U=173.5; P=.10; r=.247). However, in the follow-up SC test after 14 days, group A had retained more knowledge (average decrease of the number of correct answers group A: 0

  5. Impairment-oriented training or Bobath therapy for severe arm paresis after stroke: a single-blind, multicentre randomized controlled trial.

    Science.gov (United States)

    Platz, T; Eickhof, C; van Kaick, S; Engel, U; Pinkowski, C; Kalok, S; Pause, M

    2005-10-01

    To study the effects of augmented exercise therapy time for arm rehabilitation as either Bobath therapy or the impairment-oriented training (Arm BASIS training) in stroke patients with arm severe paresis. Single blind, multicentre randomized control trial. Three inpatient neurorehabilitation centres. Sixty-two anterior circulation ischaemic stroke patients. Random assignment to three group: (A) no augmented exercise therapy time, (B) augmented exercise therapy time as Bobath therapy and (C) augmented exercise therapy time as Arm BASIS training. Fugl-Meyer arm motor score. Secondary measure: Action Research Arm Test (ARA). Ancillary measures: Fugl-Meyer arm sensation and joint motion/pain scores and the Ashworth Scale (elbow flexors). An overall effect of augmented exercise therapy time on Fugl-Meyer scores after four weeks was not corroborated (mean and 95% confidence interval (CI) of change scores: no augmented exercise therapy time (n=20) 8.8, 5.2-12.3; augmented exercise therapy time (n=40) 9.9, 6.8-13.9; p = 0.2657). The group who received the augmented exercise therapy time as Arm BASIS training (n=20) had, however, higher gains than the group receiving the augmented exercise therapy time as Bobath therapy (n=20) (mean and 95% CI of change scores: Bobath 7.2, 2.6-11.8; BASIS 12.6, 8.4-16.8; p = 0.0432). Passive joint motion/pain deteriorated less in the group who received BASIS training (mean and 95% CI of change scores: Bobath -3.2, -5.2 to -1.1; BASIS 0.1, -1.8-2.0; p = 0.0090). ARA, Fugl-Meyer arm sensation, and Ashworth Scale scores were not differentially affected. The augmented exercise therapy time as Arm BASIS training enhanced selective motor control. Type of training was more relevant for recovery of motor control than therapeutic time spent.

  6. WDL-RF: Predicting Bioactivities of Ligand Molecules Acting with G Protein-coupled Receptors by Combining Weighted Deep Learning and Random Forest.

    Science.gov (United States)

    Wu, Jiansheng; Zhang, Qiuming; Wu, Weijian; Pang, Tao; Hu, Haifeng; Chan, Wallace K B; Ke, Xiaoyan; Zhang, Yang; Wren, Jonathan

    2018-02-08

    Precise assessment of ligand bioactivities (including IC50, EC50, Ki, Kd, etc.) is essential for virtual screening and lead compound identification. However, not all ligands have experimentally-determined activities. In particular, many G protein-coupled receptors (GPCRs), which are the largest integral membrane protein family and represent targets of nearly 40% drugs on the market, lack published experimental data about ligand interactions. Computational methods with the ability to accurately predict the bioactivity of ligands can help efficiently address this problem. We proposed a new method, WDL-RF, using weighted deep learning and random forest, to model the bioactivity of GPCR-associated ligand molecules. The pipeline of our algorithm consists of two consecutive stages: 1) molecular fingerprint generation through a new weighted deep learning method, and 2) bioactivity calculations with a random forest model; where one uniqueness of the approach is that the model allows end-to-end learning of prediction pipelines with input ligands being of arbitrary size. The method was tested on a set of twenty-six non-redundant GPCRs that have a high number of active ligands, each with 200∼4000 ligand associations. The results from our benchmark show that WDL-RF can generate bioactivity predictions with an average root-mean square error 1.33 and correlation coefficient (r2) 0.80 compared to the experimental measurements, which are significantly more accurate than the control predictors with different molecular fingerprints and descriptors. In particular, data-driven molecular fingerprint features, as extracted from the weighted deep learning models, can help solve deficiencies stemming from the use of traditional hand-crafted features and significantly increase the efficiency of short molecular fingerprints in virtual screening. The WDL-RF web server, as well as source codes and datasets of WDL-RF, is freely available at https://zhanglab.ccmb.med.umich.edu/WDL-RF/ for

  7. Performance of inverted polymer solar cells with randomly oriented ZnO nanorods coupled with atomic layer deposited ZnO

    Science.gov (United States)

    Zafar, Muhammad; Yun, Ju-Young; Kim, Do-Heyoung

    2017-03-01

    Nanostructuring of the electron transport layer (ETL) in organic photovoltaic cells (OPV) is of great interest because it increases the surface area of the cell and electron transport. In this work, hydrothermally grown, randomly oriented, and low areal density ZnO nanorods (NRs) have been adopted as the ETL, and the effect of adding atomic layer deposited (ALD) ZnO on the ZnO NRs on the inverted organic solar cell performance has been investigated. The fabricated inverted organic solar cell with 5-nm-thick ALD-ZnO grown on the ZnO NRs showed the highest power conversion efficiency (PCE) of 3.08%, which is an enhancement of 85% from that of the cell without ALD-ZnO (PCE = 1.67%). The ultrathin ALD-ZnO was found to act as a curing layer of the surface defects on the hydrothermally grown ZnO NRs, resulting in an improvement in photovoltaic performance.

  8. Noninvasive bipolar double-pulsed-field-gradient NMR reveals signatures for pore size and shape in polydisperse, randomly oriented, inhomogeneous porous media.

    Science.gov (United States)

    Shemesh, Noam; Ozarslan, Evren; Adiri, Tal; Basser, Peter J; Cohen, Yoram

    2010-07-28

    Noninvasive characterization of pore size and shape in opaque porous media is a formidable challenge. NMR diffusion-diffraction patterns were found to be exceptionally useful for obtaining such morphological features, but only when pores are monodisperse and coherently placed. When locally anisotropic pores are randomly oriented, conventional diffusion NMR methods fail. Here, we present a simple, direct, and general approach to obtain both compartment size and shape even in such settings and even when pores are characterized by internal field gradients. Using controlled porous media, we show that the bipolar-double-pulsed-field-gradient (bp-d-PFG) methodology yields diffusion-diffraction patterns from which pore size can be directly obtained. Moreover, we show that pore shape, which cannot be obtained by conventional methods, can be directly inferred from the modulation of the signal in angular bp-d-PFG experiments. This new methodology significantly broadens the types of porous media that can be studied using noninvasive diffusion-diffraction NMR.

  9. Molecule nanoweaver

    Science.gov (United States)

    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.

  10. Molecule Matters

    Indian Academy of Sciences (India)

    Fluorescence usually originates from the lowest excited electronic state (singlet) irrespective of the excitation and hence, the fluorescence spectrum of a molecule is characterized by a single band. However, what makes DMABN a very special molecule is that it exhibits dual fluorescence (i.e. emission of. Molecule Matters.

  11. Arm rehabilitation in post stroke subjects: A randomized controlled trial on the efficacy of myoelectrically driven FES applied in a task-oriented approach.

    Science.gov (United States)

    Jonsdottir, Johanna; Thorsen, Rune; Aprile, Irene; Galeri, Silvia; Spannocchi, Giovanna; Beghi, Ettore; Bianchi, Elisa; Montesano, Angelo; Ferrarin, Maurizio

    2017-01-01

    Motor recovery of persons after stroke may be enhanced by a novel approach where residual muscle activity is facilitated by patient-controlled electrical muscle activation. Myoelectric activity from hemiparetic muscles is then used for continuous control of functional electrical stimulation (MeCFES) of same or synergic muscles to promote restoration of movements during task-oriented therapy (TOT). Use of MeCFES during TOT may help to obtain a larger functional and neurological recovery than otherwise possible. Multicenter randomized controlled trial. Eighty two acute and chronic stroke victims were recruited through the collaborating facilities and after signing an informed consent were randomized to receive either the experimental (MeCFES assisted TOT (M-TOT) or conventional rehabilitation care including TOT (C-TOT). Both groups received 45 minutes of rehabilitation over 25 sessions. Outcomes were Action Research Arm Test (ARAT), Upper Extremity Fugl-Meyer Assessment (FMA-UE) scores and Disability of the Arm Shoulder and Hand questionnaire. Sixty eight subjects completed the protocol (Mean age 66.2, range 36.5-88.7, onset months 12.7, range 0.8-19.1) of which 45 were seen at follow up 5 weeks later. There were significant improvements in both groups on ARAT (median improvement: MeCFES TOT group 3.0; C-TOT group 2.0) and FMA-UE (median improvement: M-TOT 4.5; C-TOT 3.5). Considering subacute subjects (time since stroke < 6 months), there was a trend for a larger proportion of improved patients in the M-TOT group following rehabilitation (57.9%) than in the C-TOT group (33.2%) (difference in proportion improved 24.7%; 95% CI -4.0; 48.6), though the study did not meet the planned sample size. This is the first large multicentre RCT to compare MeCFES assisted TOT with conventional care TOT for the upper extremity. No adverse events or negative outcomes were encountered, thus we conclude that MeCFES can be a safe adjunct to rehabilitation that could promote recovery of

  12. Arm rehabilitation in post stroke subjects: A randomized controlled trial on the efficacy of myoelectrically driven FES applied in a task-oriented approach.

    Directory of Open Access Journals (Sweden)

    Johanna Jonsdottir

    Full Text Available Motor recovery of persons after stroke may be enhanced by a novel approach where residual muscle activity is facilitated by patient-controlled electrical muscle activation. Myoelectric activity from hemiparetic muscles is then used for continuous control of functional electrical stimulation (MeCFES of same or synergic muscles to promote restoration of movements during task-oriented therapy (TOT. Use of MeCFES during TOT may help to obtain a larger functional and neurological recovery than otherwise possible.Multicenter randomized controlled trial.Eighty two acute and chronic stroke victims were recruited through the collaborating facilities and after signing an informed consent were randomized to receive either the experimental (MeCFES assisted TOT (M-TOT or conventional rehabilitation care including TOT (C-TOT. Both groups received 45 minutes of rehabilitation over 25 sessions. Outcomes were Action Research Arm Test (ARAT, Upper Extremity Fugl-Meyer Assessment (FMA-UE scores and Disability of the Arm Shoulder and Hand questionnaire.Sixty eight subjects completed the protocol (Mean age 66.2, range 36.5-88.7, onset months 12.7, range 0.8-19.1 of which 45 were seen at follow up 5 weeks later. There were significant improvements in both groups on ARAT (median improvement: MeCFES TOT group 3.0; C-TOT group 2.0 and FMA-UE (median improvement: M-TOT 4.5; C-TOT 3.5. Considering subacute subjects (time since stroke < 6 months, there was a trend for a larger proportion of improved patients in the M-TOT group following rehabilitation (57.9% than in the C-TOT group (33.2% (difference in proportion improved 24.7%; 95% CI -4.0; 48.6, though the study did not meet the planned sample size.This is the first large multicentre RCT to compare MeCFES assisted TOT with conventional care TOT for the upper extremity. No adverse events or negative outcomes were encountered, thus we conclude that MeCFES can be a safe adjunct to rehabilitation that could promote recovery

  13. Nuclear magnetic relaxation induced by exchange-mediated orientational randomization: Longitudinal relaxation dispersion for a dipole-coupled spin-1/2 pair

    Science.gov (United States)

    Chang, Zhiwei; Halle, Bertil

    2013-10-01

    In complex biological or colloidal samples, magnetic relaxation dispersion (MRD) experiments using the field-cycling technique can characterize molecular motions on time scales ranging from nanoseconds to microseconds, provided that a rigorous theory of nuclear spin relaxation is available. In gels, cross-linked proteins, and biological tissues, where an immobilized macromolecular component coexists with a mobile solvent phase, nuclear spins residing in solvent (or cosolvent) species relax predominantly via exchange-mediated orientational randomization (EMOR) of anisotropic nuclear (electric quadrupole or magnetic dipole) couplings. The physical or chemical exchange processes that dominate the MRD typically occur on a time scale of microseconds or longer, where the conventional perturbation theory of spin relaxation breaks down. There is thus a need for a more general relaxation theory. Such a theory, based on the stochastic Liouville equation (SLE) for the EMOR mechanism, is available for a single quadrupolar spin I = 1. Here, we present the corresponding theory for a dipole-coupled spin-1/2 pair. To our knowledge, this is the first treatment of dipolar MRD outside the motional-narrowing regime. Based on an analytical solution of the spatial part of the SLE, we show how the integral longitudinal relaxation rate can be computed efficiently. Both like and unlike spins, with selective or non-selective excitation, are treated. For the experimentally important dilute regime, where only a small fraction of the spin pairs are immobilized, we obtain simple analytical expressions for the auto-relaxation and cross-relaxation rates which generalize the well-known Solomon equations. These generalized results will be useful in biophysical studies, e.g., of intermittent protein dynamics. In addition, they represent a first step towards a rigorous theory of water 1H relaxation in biological tissues, which is a prerequisite for unravelling the molecular basis of soft

  14. Picosecond orientational dynamics of water in living cells.

    Science.gov (United States)

    Tros, Martijn; Zheng, Linli; Hunger, Johannes; Bonn, Mischa; Bonn, Daniel; Smits, Gertien J; Woutersen, Sander

    2017-10-12

    Cells are extremely crowded, and a central question in biology is how this affects the intracellular water. Here, we use ultrafast vibrational spectroscopy and dielectric-relaxation spectroscopy to observe the random orientational motion of water molecules inside living cells of three prototypical organisms: Escherichia coli, Saccharomyces cerevisiae (yeast), and spores of Bacillus subtilis. In all three organisms, most of the intracellular water exhibits the same random orientational motion as neat water (characteristic time constants ~9 and ~2 ps for the first-order and second-order orientational correlation functions), whereas a smaller fraction exhibits slower orientational dynamics. The fraction of slow intracellular water varies between organisms, ranging from ~20% in E. coli to ~45% in B. subtilis spores. Comparison with the water dynamics observed in solutions mimicking the chemical composition of (parts of) the cytosol shows that the slow water is bound mostly to proteins, and to a lesser extent to other biomolecules and ions.The cytoplasm's crowdedness leads one to expect that cell water is different from bulk water. By measuring the rotational motion of water molecules in living cells, Tros et al. find that apart from a small fraction of water solvating biomolecules, cell water has the same dynamics as bulk water.

  15. Entanglement of molecular-orientation, rotational and orbital degrees of freedom in multiphoton orientational wave packets

    Energy Technology Data Exchange (ETDEWEB)

    Mainos, C; Dutier, G; Grucker, J; Perales, F; Baudon, J; Ducloy, M [Laboratoire de Physique des Lasers, Universite Paris 13 Av JB Clement, 93430 Villetaneuse (France)

    2008-02-14

    Multiphoton orientational wave packets induced by short resonant polarized laser pulses in a rotationally-frozen interacting molecule contain relevant information. The entanglement of the orbital, rotational and orientational degrees of freedom shows a strong dependence on the polarization state of the absorbed photons and the space orientation of the interacting molecule and enables one to assign the orbital state of the excited molecular electron, to measure the space orientation of the interacting molecule from the orientational recurrences, to relate the measured temporal widths to the angular momentum photon state and the coherence of the laser pulse, to obtain information on the ground rotational state, or to measure the effective temperature of an isotropic molecular assembly. The space orientation of a small number of independent molecules can be distinguished from their distinct orientational dependence in the formation of the individual orientational wave packets.

  16. Entanglement of molecular-orientation, rotational and orbital degrees of freedom in multiphoton orientational wave packets

    Science.gov (United States)

    Mainos, C.; Dutier, G.; Grucker, J.; Perales, F.; Baudon, J.; Ducloy, M.

    2008-02-01

    Multiphoton orientational wave packets induced by short resonant polarized laser pulses in a rotationally-frozen interacting molecule contain relevant information. The entanglement of the orbital, rotational and orientational degrees of freedom shows a strong dependence on the polarization state of the absorbed photons and the space orientation of the interacting molecule and enables one to assign the orbital state of the excited molecular electron, to measure the space orientation of the interacting molecule from the orientational recurrences, to relate the measured temporal widths to the angular momentum photon state and the coherence of the laser pulse, to obtain information on the ground rotational state, or to measure the effective temperature of an isotropic molecular assembly. The space orientation of a small number of independent molecules can be distinguished from their distinct orientational dependence in the formation of the individual orientational wave packets.

  17. Molecule Matters

    Indian Academy of Sciences (India)

    is such an innocuous molecule that you might not think it worthy of special attention. We take this molecule for granted because it is abundantly available on earth. About 80 % of the earth's atmosphere, which means a total of 4×1018 kg, is dinitrogen![1] Secondly, it is ignored because it is quite un- reactive. Nitrogen is such ...

  18. Molecule Matters

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 14; Issue 4. Molecule Matters – van der Waals Molecules - History and Some Perspectives on Intermolecular Forces. E Arunan. Feature Article Volume 14 Issue 4 April 2009 pp 346-356 ...

  19. Skill-building through Task-Oriented Motor Practice (STOMP) intervention for activities of daily living: study protocol for a randomized, single blinded clinical trial.

    Science.gov (United States)

    Ciro, C A; Stoner, J; Prodan, C; Hershey, L

    2016-01-01

    Progressive disability in activities of daily living (ADL) is inevitable for people with Alzheimer's disease and related dementias (ADRD). Attempts to slow or prevent ADL disability have been unsuccessful despite making progress in behavioral training methods. Missing from this research is an emphasis on how we maximize a patient's engagement during training and the rigorous examination of implementation protocols (dosing and training methods) which may advantage learning in people with ADRD. Our team addressed this gap with the development of the STOMP (Skill-building through Task-Oriented Motor Practice) intervention which creates methods for obtaining ADL goals that support "personhood" and tests high-intensity protocols that appear to advantage learning and sustained learning over time. Through this study, we aim to evaluate differential outcomes by dose levels as well as assess the moderating effects of attention to task during training. Randomized-controlled trial with 32 participants with dementia assigned to either the original, intensive STOMP protocol (3 hours/day, 5 days/week for 2 weeks) or a less-intensive STOMP protocol (1 hour/day, 2 days/week for 2 weeks) delivered by an occupational therapy assistant in the home. ADL training is delivered using motor learning theory techniques of blocked practice, continuous verbal praise, errorless learning and intense dosing schedules. Inclusion criteria: English speaking, adults 50-80 years old that live with a legally-authorized representative that can provide consent, who can follow a one-step command, have three ADL goals they want to address and can participate in an intense therapy protocol. Exclusions include diagnoses of Creutzfeldt-Jakob Dementia, delirium or receptive/global aphasia. Recruitment will occur through direct mailing, physician referral and media/support group presentations. Blinded occupational therapists will complete baseline, post-intervention and 3-month follow-up assessments in the

  20. History-Dependent Patterns in Randomly Perturbed Nematic Liquid Crystals

    Directory of Open Access Journals (Sweden)

    A. Ranjkesh

    2013-01-01

    Full Text Available We study the characteristics of nematic structures in a randomly perturbed nematic liquid crystal (LC phase. We focus on the impact of the samples history on the universal behavior. The obtained results are of interest for every randomly perturbed system exhibiting a continuous symmetry-breaking phase transition. A semimicroscopic lattice simulation is used where the LC molecules are treated as cylindrically symmetric, rod-like objects interacting via a Lebwohl-Lasher (LL interaction. Pure LC systems exhibit a first order phase transition into the orientationally ordered nematic phase at T=Tc on lowering the temperature T. The orientational ordering of LC molecules is perturbed by the quenched, randomly distributed rod-like impurities of concentration p. Their orientation is randomly distributed, and they are coupled with the LC molecules via an LL-type interaction. Only concentrations below the percolation threshold are considered. The key macroscopic characteristics of perturbed LC structures in the symmetry-broken nematic phase are analyzed for two qualitatively different histories at T≪Tc. We demonstrate that, for a weak enough interaction among the LC molecules and impurities, qualitatively different history-dependent states could be obtained. These states could exhibit either short-range, quasi-long-range, or even long-range order.

  1. Atkins' molecules

    CERN Document Server

    Atkins, Peters

    2003-01-01

    Originally published in 2003, this is the second edition of a title that was called 'the most beautiful chemistry book ever written'. In it, we see the molecules responsible for the experiences of our everyday life - including fabrics, drugs, plastics, explosives, detergents, fragrances, tastes, and sex. With engaging prose Peter Atkins gives a non-technical account of an incredible range of aspects of the world around us, showing unexpected connections, and giving an insight into how this amazing world can be understood in terms of the atoms and molecules from which it is built. The second edition includes dozens of extra molecules, graphical presentation, and an even more accessible and enthralling account of the molecules themselves.

  2. Interstellar Molecules

    Science.gov (United States)

    Solomon, Philip M.

    1973-01-01

    Radioastronomy reveals that clouds between the stars, once believed to consist of simple atoms, contain molecules as complex as seven atoms and may be the most massive objects in our Galaxy. (Author/DF)

  3. Enumerating molecules.

    Energy Technology Data Exchange (ETDEWEB)

    Visco, Donald Patrick, Jr. (, . Tennessee Technological University, Cookeville, TN); Faulon, Jean-Loup Michel; Roe, Diana C.

    2004-04-01

    This report is a comprehensive review of the field of molecular enumeration from early isomer counting theories to evolutionary algorithms that design molecules in silico. The core of the review is a detail account on how molecules are counted, enumerated, and sampled. The practical applications of molecular enumeration are also reviewed for chemical information, structure elucidation, molecular design, and combinatorial library design purposes. This review is to appear as a chapter in Reviews in Computational Chemistry volume 21 edited by Kenny B. Lipkowitz.

  4. Randomized controlled trial of a family-oriented self-management program to improve self-efficacy, glycemic control and quality of life among Thai individuals with Type 2 diabetes.

    Science.gov (United States)

    Wichit, Nutchanath; Mnatzaganian, George; Courtney, Mary; Schulz, Paula; Johnson, Maree

    2017-01-01

    We evaluated a theoretically-derived family-oriented intervention aimed to improve self-efficacy, self-management, glycemic control and quality of life in individuals living with Type 2 diabetes in Thailand. In a single-blinded randomized controlled trial, 140 volunteer individuals with Type 2 diabetes, recruited from a diabetes clinic in rural Thailand, were randomly allocated to intervention and control arms. Those in the intervention arm received routine care plus a family-oriented program that included education classes, group discussions, a home visit, and a telephone follow-up while the control arm only received routine care. Improvement in outcomes over time (baseline, Week 3, and Week 13 following intervention) was evaluated using Generalized Estimating Equations multivariable analyses. Except for age, no between-group significant differences were observed in all other baseline characteristics. Diabetes self-efficacy, self-management, and quality of life improved in the intervention arm but no improvement was observed in the controls. In the risk-adjusted multivariable models, compared to the controls, the intervention arm had significantly better self-efficacy, self-management, outcome expectations, and diabetes knowledge (plife or glycemic control, however, in the risk-adjusted multivariable models, higher self-management scores were associated with significantly decreased HbA1c levels (plife (pfamily-oriented program improved patients' self-efficacy and self-management, which in turn could decrease HbA1c levels. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

  5. Effects of the oriental herbal medicine Bofu-tsusho-san in obesity hypertension: a multicenter, randomized, parallel-group controlled trial (ATH-D-14-01021.R2).

    Science.gov (United States)

    Azushima, Kengo; Tamura, Kouichi; Haku, Sona; Wakui, Hiromichi; Kanaoka, Tomohiko; Ohsawa, Masato; Uneda, Kazushi; Kobayashi, Ryu; Ohki, Kohji; Dejima, Toru; Maeda, Akinobu; Hashimoto, Tatsuo; Oshikawa, Jin; Kobayashi, Yusuke; Nomura, Koichiro; Azushima, Chieko; Takeshita, Yasuyo; Fujino, Ryota; Uchida, Ken; Shibuya, Ken; Ando, Daisaku; Tokita, Yasuo; Fujikawa, Tetsuya; Toya, Yoshiyuki; Umemura, Satoshi

    2015-05-01

    There is no clinical evidence that supports the benefit of integrative medicine, defined as combination therapy of oriental and western medicine, on obesity-related hypertension. This study evaluates the efficacy of Bofu-tsusho-san (BOF), an oriental herbal medicine, on the ambulatory blood pressure (BP) profile in hypertensive patients with obesity. The study design was a multicenter, randomized, open-label, parallel-group controlled trial in 107 hypertensive patients with obesity. Participants were randomly assigned to receive either the conventional control therapy or BOF add-on therapy. In both groups antihypertensive therapy was aimed at achieving the target clinic BP. The primary outcome was change in the ambulatory BP profile from baseline to 24 weeks after randomization. Daytime systolic BP variability, an important parameter of ambulatory BP profile, was decreased in the BOF group, and the difference in the changes in daytime systolic BP variability was significant between the BOF and control group (Control vs BOF; the change from baseline in daytime systolic BP variability, 1.0±3.3 vs -1.0±3.3%; p=0.006). The BOF add-on therapy effectively improved the ambulatory BP variability. This is the first report suggesting that an integrative medicine approach may exert favorable effects on obesity-related hypertension compared with conventional pharmaceutical treatment. UMIN000003878. Copyright © 2015 The Authors. Published by Elsevier Ireland Ltd.. All rights reserved.

  6. Molecule Matters

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 11; Issue 9. Molecule Matters - A Chromium Compound with a Quintuple Bond. K C Kumara Swamy. Feature Article Volume 11 Issue 9 September 2006 pp 72-75. Fulltext. Click here to view fulltext PDF. Permanent link:

  7. Molecule Matters

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 13; Issue 5. Molecule Matters - N-Heterocyclic Carbenes - The Stable Form of R2 C: Anil J Elias. Feature Article Volume 13 Issue 5 May 2008 pp 456-467. Fulltext. Click here to view fulltext PDF. Permanent link:

  8. Molecule Matters

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 11; Issue 11. Molecule Matters - Carbon Dioxide: Molecular States and Beyond. T P Radhakrishnan. Feature Article Volume 11 Issue 11 November 2006 pp 88-92. Fulltext. Click here to view fulltext PDF. Permanent link:

  9. Field Induced Memory Effects in Random Nematics

    Directory of Open Access Journals (Sweden)

    Amid Ranjkesh

    2014-01-01

    Full Text Available We studied numerically external field induced memory effects in randomly perturbed nematic liquid crystals. Random anisotropy nematic-type lattice model was used. The impurities imposing orientational disorder were randomly spatially distributed with the concentration p below the percolation threshold. Simulations were carried for finite temperatures, where we varied p, interaction strength between LC molecules, and impurities and external field B. In the {B,T} plane we determined lines separating short range—quasi long range and quasi long range—long range order. Furthermore, crossover regime separating external field and random field dominated regime was estimated. We calculated remanent nematic ordering in samples at B=0 as a function of the previously experienced external field strength B.

  10. Pattern recognition in bees : orientation discrimination

    NARCIS (Netherlands)

    Hateren, J.H. van; Srinivasan, M.V.; Wait, P.B.

    1990-01-01

    Honey bees (Apis mellifera, worker) were trained to discriminate between two random gratings oriented perpendicularly to each other. This task was quickly learned with vertical, horizontal, and oblique gratings. After being trained on perpendicularly-oriented random gratings, bees could discriminate

  11. High harmonic generation from axial chiral molecules.

    Science.gov (United States)

    Wang, Dian; Zhu, Xiaosong; Liu, Xi; Li, Liang; Zhang, Xiaofan; Lan, Pengfei; Lu, Peixiang

    2017-09-18

    Axial chiral molecules, whose stereogenic element is an axis rather than a chiral center, have attracted widespread interest due to their important application, such as asymmetric synthesis and chirality transfer. We investigate high harmonic generation from axial chiral molecules with bichromatic counterrotating circularly polarized laser fields. High harmonic generation from three typical molecules: (Sa)-3-chloropropa-1,2-dien-1-ol, propadiene, and (Ra)-2,3-pentadiene is simulated with time-dependent density-functional theory and strong field approximation. We found that harmonic spectra for 3D oriented axial chiral molecules exhibit obvious circular dichroism. However, the circular dichroism of High harmonic generation from an achiral molecule is much trivial. Moreover, the dichroism of high harmonic generation still exists when axial chiral molecules are 1D oriented,such as (Sa) -3-chloropropa-1,2-dien-1-ol. For a special form of axial chiral molecules with the formula abC=C=Cab (a, b are different substituents), like (Ra)-2,3-pentadiene, the dichroism discriminations disappear when the molecules are only in 1D orientation. The circular dichroism of high harmonic generation from axial chiral molecules is well explained by the trajectory analysis based on the semiclassical three-step mechanism.

  12. Differential effects of fenofibrate versus atorvastatin on the concentrations of E-selectin and vascular cellular adhesion molecule-1 in patients with type 2 diabetes mellitus and mixed hyperlipoproteinemia: a randomized cross-over trial

    Directory of Open Access Journals (Sweden)

    Otto Carsten

    2003-12-01

    Full Text Available Abstract Background Diabetic dyslipoproteinemia is characterized by hypertriglyceridemia, low HDL-cholesterol and often elevated LDL-cholesterol and is a strong risk factor for atherosclerosis. Adhesion molecule levels are elevated both in hyperlipoproteinemia and diabetes mellitus. It is unclear whether fibrate or statin therapy has more beneficial effects on adhesion molecule concentrations. Methods Atorvastatin (10 mg/d was compared to fenofibrate (200 mg/d each for 6 weeks separated by a 6 week washout period in 11 patients (6 male, 5 female; 61.8 ± 8.2 years; body mass index 29.8 ± 3.1 kg/m2 with type 2 diabetes mellitus (HbA1c 7.3 ± 1.1 % and mixed hyperlipoproteinemia using a randomized, cross-over design. Fasting blood glucose, HbA1c, lipid parameters, E-selectin, ICAM-1, VCAM-1, and fibrinogen concentrations were determined before and after each drug. Results Glucose and HbA1c concentrations remained unchanged during the whole study period. LDL cholesterol was reduced during atorvastatin therapy, triglycerides were lowered more effectively with fenofibrate. Comparison of pre- and postreatment concentrations of E-selectin showed a reduction during atorvastatin (-7 %, p = 0.11 and fenofibrate (-10 %, p Conclusions In addition to the different beneficial effects on lipid metabolism, both drugs appear to lower adhesion molecule plasma concentrations in a different manner in patients with type 2 diabetes and mixed hyperlipoproteinemia. Our observations should be confirmed in a larger cohort of such patients.

  13. Molecule Matters van der Waals Molecules

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 14; Issue 12. Molecule Matters van der Waals Molecules - Noble Gas Clusters are London Molecules! E Arunan. Feature Article Volume 14 Issue 12 December 2009 pp 1210-1222 ...

  14. Patient orientation and professional orientation of Dutch dentists.

    Science.gov (United States)

    Bruers, J Josef M; Felling, Albert J A; Truin, Gert Jan; van't Hof, Martin A; van Rossum, Ger M J M

    2004-04-01

    By providing dental health care, dentists dedicate themselves to the preservation and/or improvement of oral health in their patients. By adequately carrying out this care providers' role, dentists will gain recognition, esteem and respect from both patients and colleagues. This analysis aims to assess the patient and professional orientation of dentists and investigate which of their personal and practice characteristics can be regarded determining for these two aspects of their role as care providers. In the year 2000, data was collected via a written questionnaire sent to a random, stratified sample of 790 dentists, of whom 607 (77%) responded. Multivariate regression analysis shows that the preventive treatment concept, professional satisfaction and the number of hours per week that household tasks are performed are positive determinants for dentists' patient orientation. Also, the longer dentists are active in their profession, the more patient oriented they will be, and with more hours per week support from oral hygienists they are less patient oriented. As for professional orientation, dentists' preventive treatment concept and their professional satisfaction can also be considered positive determinants. Furthermore, dentists are more profession oriented when their partner works in the practice, with more hours per week support from oral hygienist(s) and with more collaboration contacts with other care providers. Compared to men, women are on average less profession oriented. Among Dutch dentists, there exist clear differences in the way they take on their role as care providers with regard to patient orientation and professional orientation.

  15. Orienteering club

    CERN Multimedia

    Club d'orientation

    2015-01-01

    Course d'orientation La reprise des courses d’orientation était attendue dans la région puisque près de 150 coureurs ont participé à la première épreuve automnale organisée par le club d’orientation du CERN sur le site de La Faucille. Les circuits ont été remportés par Yann Locatelli du club d’Orientation Coeur de Savoie avec 56 secondes d’avance sur Damien Berguerre du club SOS Sallanches pour le parcours technique long, Marie Vuitton du club CO CERN (membre également de l’Equipe de France Jeune) pour le parcours technique moyen avec presque 4 minutes d’avance sur Jeremy Wichoud du club Lausanne-Jorat, Victor Dannecker pour le circuit technique court devant Alina Niggli, Elliot Dannecker pour le facile moyen et Alice Merat sur le facile court, tous membres du club O’Jura. Les résultats comp...

  16. Magneto-orientation of lecithin crystals.

    OpenAIRE

    Sakurai, I.; Kawamura, Y.; Ikegami, A; Iwayanagi, S

    1980-01-01

    For the purpose of clarifying the magneto-orientation mechanism of several biological membrane systems, xylene-suspended thin-layered single crystals of lecithin, which is a major component of membranes, were subjected to magnetic fields of various strengths, and the orientation behavior of the crystals was analyzed. Lecithin crystals oriented in such a way that the directions of both the hydrocarbon chains and the phosphorylcholine group of the lecithin molecule were perpendicular to the mag...

  17. Atomistic theory of excitonic fine structure in InAs/InP nanowire quantum dot molecules

    Science.gov (United States)

    Świderski, M.; Zieliński, M.

    2017-03-01

    Nanowire quantum dots have peculiar electronic and optical properties. In this work we use atomistic tight binding to study excitonic spectra of artificial molecules formed by a double nanowire quantum dot. We demonstrate a key role of atomistic symmetry and nanowire substrate orientation rather than cylindrical shape symmetry of a nanowire and a molecule. In particular for [001 ] nanowire orientation we observe a nonvanishing bright exciton splitting for a quasimolecule formed by two cylindrical quantum dots of different heights. This effect is due to interdot coupling that effectively reduces the overall symmetry, whereas single uncoupled [001 ] quantum dots have zero fine structure splitting. We found that the same double quantum dot system grown on [111 ] nanowire reveals no excitonic fine structure for all considered quantum dot distances and individual quantum dot heights. Further we demonstrate a pronounced, by several orders of magnitude, increase of the dark exciton optical activity in a quantum dot molecule as compared to a single quantum dot. For [111 ] systems we also show spontaneous localization of single particle states in one of nominally identical quantum dots forming a molecule, which is mediated by strain and origins from the lack of the vertical inversion symmetry in [111 ] nanostructures of overall C3 v symmetry. Finally, we study lowering of symmetry due to alloy randomness that triggers nonzero excitonic fine structure and the dark exciton optical activity in realistic nanowire quantum dot molecules of intermixed composition.

  18. Orienteering Club

    CERN Multimedia

    Club d'orientation

    2013-01-01

    Courses d’orientation Une bonne dizaine de clubs étaient représentés samedi dernier à La Faucille pour participer à la  2e manche de la coupe genevoise organisée par le club du CERN. Les 120 coureurs ont pu découvrir des parcours classés "technique". Ceux du Haut-Jura familiarisés à ce type de terrain ont pu sortir leur épingle du jeu et se sont octroyé la victoire sur 4 des 5 circuits. Samedi 21 septembre, la montagne du Haut-Jura était encore plébiscitée puisque les coureurs étaient attendus à Saint Cergue sur la carte des Pralies. Pour les résultats complets de La Faucille et les informations sur la prochaine étape, consultez le site du club http://cern.ch/club-orientation.

  19. Singularities in primate orientation maps.

    Science.gov (United States)

    Obermayer, K; Blasdel, G G

    1997-04-01

    We report the results of an analysis of orientation maps in primate striate cortex with focus on singularities and their distribution. Data were obtained from squirrel monkeys and macaque monkeys of different ages. We find the approximately 80% of singularities that are nearest neighbors have the opposite sign and that the spatial distribution of singularities differs significantly from a random distribution of points. We do not find evidence for consistent geometric patterns that singularities may form across the cortex. Except for a different overall alignment of orientation bands and different periods of repetition, maps obtained from different animals and different ages are found similar with respect to the measures used. Orientation maps are then compared with two different pattern models that are currently discussed in the literature: bandpass-filtered white noise, which accounts very well for the overall map structure, and the field analogy model, which specifies the orientation map by the location of singularities and their properties. The bandpass-filtered noise approach to orientation patterns correctly predicts the sign correlations between singularities and accounts for the deviations in the spatial distribution of singularities away from a random dot pattern. The field analogy model can account for the structure of certain local patches of the orientation map but not for the whole map. Neither of the models is completely satisfactory, and the structure of the orientation map remains to be fully explained.

  20. Orientation Club

    CERN Multimedia

    Club d'orientation

    2014-01-01

    COURSE ORIENTATION Résultats de samedi 10 mai    C’est sur une carte entièrement réactualisée dans les bois de Versoix, que plus de 100 coureurs sont venus participer à la course d’orientation, type longue distance, préparée par des membres du club du CERN. Le terrain plutôt plat nécessitait une orientation à grande vitesse, ce qui a donné les podiums suivants :  Technique long avec 17 postes : 1er Jurg Niggli, O’Jura en 52:48, 2e Beat Muller, COLJ Lausanne-Jorat en 58:02, 3e Christophe Vuitton, CO CERN en 58:19 Technique moyen avec 13 postes : 1er Jean-Bernard Zosso, CO CERN, en 46:05 ; 2e Yves Rousselot, Balise 25 Besançon, en 55:11 ; 3e Laurent Merat, O'Jura, en 55:13 Technique court avec 13 postes : 1er Julien Vuitton, CO CERN en 40:59, 2e Marc Baumgartner, CO CERN en 43:18, 3e Yaelle Mathieu en 51:42 Su...

  1. Orienteering Club

    CERN Multimedia

    Club d'orientation

    2013-01-01

    Courses d’orientation ce printemps Le Club d’orientation du CERN vous invite à venir découvrir la course d’orientation et vous propose, en partenariat avec d’autres clubs de la région, une dizaine de courses populaires. Celles-ci ont lieu les samedis après-midi, elles sont ouvertes à tous, quel que soit le niveau, du débutant au sportif confirmé, en famille ou en individuel, en promenade ou en course. Si vous êtes débutant vous pouvez profiter d’une petite initiation offerte par l’organisateur avant de vous lancer sur un parcours. Divers types de parcours sont à votre choix lors de chaque épreuve : facile court (2-3 km), facile moyen (3-5 km), technique court (3-4 km), technique moyen (4-5 km) et technique long (5-7 km). Les dates à retenir sont les suivantes : Samedi 23 mars: Pully (Vd) Samedi 13 avril: Pougny...

  2. Soft and Hard Tissue Changes around Tissue-Oriented Tulip-Design Implant Abutments: A 1-Year Randomized Prospective Clinical Trial.

    Science.gov (United States)

    Gutmacher, Zvi; Levi, Guy; Blumenfeld, Israel; Machtei, Eli E

    2015-10-01

    The advantages of platform switching using narrower abutments remain controversial. Many researchers suggest that platform switching can yield enhanced clinical results, while others remain skeptical. We hypothesize that the effectiveness of platform switching might be associated with the degree of reduction in size of the abutment. To radiographically and clinically examine a new abutment design created to move the implant-abutment interface farther medially. This was a prospective, randomized controlled clinical trial that included 27 patients (41 MIS Lance Plus® implants; MIS Implant Technologies, Karmiel, Israel). The patients' age ranged from 39 to 75 years. At the second stage of the surgery, the implants were randomly assigned to either the new platform switch Tulip abutment (TA) design or to the standard platform abutment (SA). Implant probing depth (IPD) and bleeding on probing (BOP) were recorded at baseline and after 12 months. Standardized periapical radiographs were taken (at baseline and at 12 months) and the marginal bone height measured. All implants were successfully integrated. The mean IPD at 1 year post-op was 2.91 mm for the SA group and 2.69 mm for the TA group (p > .05). Similarly, the BOP at 1 year was almost identical in both groups. The mean values of bone resorption at baseline were 0.98 ± 0.37 mm and 0.69 ± 0.20 for the TA and SA groups, respectively (p > .05). Bone loss (baseline to 12 months) was significantly greater in the SA group compared with the TA group. Use of the new TA, with its significantly downsized diameter, resulted in reduced bone loss at 1 year. Further research will be required to assess the long-term effect of this abutment on peri-implant health. © 2014 Wiley Periodicals, Inc.

  3. Orienteering Club

    CERN Multimedia

    Le Club d’orientation du CERN

    2017-01-01

    Calendrier des courses de la Coupe Genevoise – printemps 2017 Club d'orientation - Julien,  jeune membre du club. Le Club d’orientation du CERN, en partenariat avec d’autres clubs de la région, vous propose une série de courses populaires, qui se dérouleront des deux côtés de la frontière franco-suisse, à savoir : Samedi 1 avril : Pougny/Challex (01) Samedi 8 avril: Ballens (VD) Samedi 22 avril: Apples (VD) Samedi 29 avril: Mont Mussy (01) Samedi 6 mai: Prémanon (39) Samedi 13 mai: Mont Mourex (01) Samedi 20 mai: Prévondavaux (VD) Samedi 10 juin: Chancy/Valleiry (74) Samedi 17 juin: Trélex - Finale (VD) Ces courses sont ouvertes à tous, quel que soit le niveau, du débutant au sportif confirmé, en famille ou en individuel. Les inscriptions sur un des 5 parcours proposés se font sur place le jour de l...

  4. COURSE ORIENTATION

    CERN Multimedia

    Club d'orientation du CERN

    2015-01-01

      Les coureurs d’orientation de la région se sont donné rendez-vous samedi dernier dans les bois de Pougny/Challex lors de l’épreuve organisée par le club d’orientation du CERN. La carte proposée pour les 5 circuits offrait aussi bien un coté très technique avec un relief pentu qu’un coté avec de grandes zones plates à forêt claire. Le parcours technique long comportant 20 postes a été remporté par Beat Muller du COLJ Lausanne en 56:26 devançant Denis Komarov, CO CERN en 57:30 et Yvan Balliot, ASO Annecy en 57:46. Pour les autres circuits les résultats sont les suivants: Technique moyen (13 postes): 1er Joël Mathieu en 52:32 à une seconde du 2e Vladimir Kuznetsov, COLJ Lausanne-Jorat, 3e Jean-Bernard Zosso, CO CERN, en 54:01 Technique court (12 postes): 1er Lennart Jirden, ...

  5. Orienteering Club

    CERN Multimedia

    Club d'orientation

    2010-01-01

    COURSE D’ORIENTATION La finale de la coupe de printemps Après avoir remporté le challenge club, samedi 29 juin lors du relais inter-club à Lausanne, le Club d’orientation du CERN organisait la dernière étape de la coupe genevoise de printemps samedi 5 juin à Saint-Cergue dans les bois de Monteret (Canton de Vaud). Plus de 100 participants se sont déplacés pour venir participer à la finale et découvrir une toute nouvelle carte dans une forêt vallonnée. Les résultats pour chaque circuit de cette étape sont : Technique long : 1. Jurg Niggli du club O’Jura, 2. Clément Poncet, 3. Oystein Midttun. Technique moyen : 1. Zoltan Trocsanyi CO CERN, 2. Christophe Ingold, 3. Christina Falga. Technique court : 1. Pierre-Andre Baum, CARE Vevey, 2. Emese Szunyog, 3. Solène Balay. Facile moyen : 1. Elisa P...

  6. Orienteering Club

    CERN Multimedia

    Le Club d’orientation du CERN

    2017-01-01

    COURSE ORIENTATION Finale de la coupe d’automne Le club d’orientation du CERN (COC Genève) a organisé sa dernière course populaire de la saison samedi 4 novembre au lieu-dit Les Terrasses de Genève (74). Cette 9e épreuve qui se courait sous la forme d’un One-Man-Relay, clôturait ainsi la coupe genevoise d’automne dont les lauréats sont : Circuit technique long : 1. Julien Vuitton (COC Genève), 2. Berni Wehrle (COC Genève), 3. Christophe Vuitton (COC Genève). Circuit technique moyen : 1. Vladimir Kuznetsov (Lausanne-Jorat), 2. J.-Bernard Zosso (COC Genève), 3. Laurent Merat (O’Jura). Circuit technique court : 1. Thibault Rouiller (COC Genève), 2. exæquo Lennart Jirden (COC Genève) et Katya Kuznetsova (Lausanne-Jorat). Circuit facile moyen : 1. Tituan Barge ...

  7. Orienteering Club

    CERN Multimedia

    Le Club d’orientation du CERN

    2017-01-01

    COURSE ORIENTATION Finale de la coupe d’automne Le club d’orientation du CERN (COC Genève) a organisé sa dernière course populaire de la saison samedi 4 novembre au lieu-dit Les Terrasses de Genève (74). Cette 9e épreuve qui se courait sous la forme d’un One-Man-Relay, clôturait ainsi la coupe genevoise d’automne dont les lauréats sont : Circuit technique long : 1. Julien Vuitton (COC Genève), 2. Berni Wehrle (COC Genève), 3. Christophe Vuitton (COC Genève). Circuit technique moyen : 1. Vladimir Kuznetsov (Lausanne-Jorat), 2. J.-Bernard Zosso (COC Genève), 3. Laurent Merat (O’Jura). Circuit technique court : 1. Thibault Rouiller (COC Genève), 2. exæquo Lennart Jirden (COC Genève) et Katya Kuznetsova (Lausanne-Jorat). Circuit facile moyen : 1. Tituan Barge...

  8. Club Orientation

    CERN Multimedia

    Club d'orientation

    2014-01-01

      COURSE ORIENTATION   Pas moins de 100 concurrents sont venus s’affronter sur les parcours proposés par le club d’orientation du CERN ce samedi 26 avril lors de la 4e étape de la coupe genevoise de printemps. Les podiums ont été attribués à :  Technique long avec 19 postes : 1er Yvan Balliot, ASO Annecy en 1:01:39 ; 2e Dominique Fleurent, ASO Annecy, en 1:05:12 ; 3e Rémi Fournier, SOS Sallanches, en 1:05:40. Technique moyen avec 14 postes : 1er Jean-Bernard Zosso, CO CERN, en 46:42 ; 2e Céline Zosso, CO CERN, en 50:51 ; 3e Clément Poncet, O’Jura Prémanon, en 51:27. Technique court avec 13 postes : 1er Jaakko Murtomaki, YKV Seinaejoki, en 36:04 ; 2e Marc Baumgartner en 41:27 ; 3e Natalia Niggli, O’Jura Prémanon, en 52:43. Sur les parcours facile moyen et facile court, victoire respectivement de Stéphanie...

  9. Orienteering club

    CERN Multimedia

    Club d'orientation

    2010-01-01

    Course d’orientation : Coupe Genevoise de printemps 2010 Et c’est reparti pour une nouvelle saison! Pour cette coupe de printemps 2010, le Club d’Orientation du CERN, en partenariat avec d’autres clubs de la région, vous propose le calendrier suivant: – samedi 20 mars : Cossonay (Vd) – samedi 10 avril : Echallens (Vd) – samedi 17 avril : Trélex (Vd) – samedi 24 avril : Genolier (Vd) – samedi 1 mai : Vulbens/Valleiry (74) – samedi 8 mai : Bois de la Rippe (Vd) – samedi 29 mai : Sauvabellin (Vd) : relais – samedi 5 juin: St Cergue (Vd) : grande finale Les courses populaires ont lieu en général le samedi après-midi, elles sont ouvertes à tous, quel que soit le niveau, du débutant au sportif confirmé, en famille ou en individuel, en promenade ou en course. Pour cela, divers types de parcours sont &agr...

  10. Orienteering club

    CERN Multimedia

    Club d'orientation

    2013-01-01

    Courses d’orientation Le soleil enfin de retour a incité nombre de sportifs et promeneurs à nous rejoindre dans la belle forêt de Challex /Pougny pour la deuxième étape de notre coupe de printemps 2013. Certains sont revenus crottés et fourbus alors que d’autres avaient les joues bien roses après un grand bol d’air frais. Mais tous avaient passé un agréable moment dans la nature. Nous rappelons que nos activités sont ouvertes à tous, jeunes, moins jeunes, sportifs, familles, du CERN ou d’ailleurs, et que le seul inconvénient est que si vous goûtez à la course d’orientation, il vous sera difficile de ne pas y revenir ! Samedi 20 avril 2013, nous serons sur le Mont Mourex (entre Gex et Divonne) pour notre prochaine épreuve et vous y serez les bienvenus. Les inscriptions et les départ...

  11. Orienteering club

    CERN Multimedia

    Orienteering Club

    2016-01-01

    Course d'orientation Calendrier des courses d’orientation Coupe genevoise d’automne 2016 Samedi 3 septembre : La Faucille (01) Samedi 10 septembre : Prémanon (39) Samedi 17 septembre : Saint-Cergue (VD) Samedi 24 septembre : Jorat / Corcelles (VD) Samedi 1 octobre: Bière - Ballens (VD) -relais Vendredi 14 octobre : Parc Mon Repos (GE) - nocturne Samedi 15 octobre : Terrasse de Genève (74) Samedi 29 octobre : Bonmont (VD) Samedi 5 novembre : Pomier (74) – one-man-relay - Finale   Courses ouvertes à toutes et à tous, sportifs, familles, débutants ou confirmés, du CERN ou d’ailleurs. Cinq circuits disponibles, ceci va du facile court (2 km) adapté aux débutants et aux enfants jusqu’au parcours technique long de 6 km pour les chevronnés en passant par les parcours facile moyen (4&am...

  12. Orienteering Club

    CERN Multimedia

    Le Club d’orientation du CERN

    2017-01-01

    Course orientation Les courses d’orientation comptant pour la coupe genevoise de printemps s’enchainent dans la région franco-suisse. Samedi dernier, une bonne centaine de coureurs se sont retrouvés au Mont Mourex où le club du CERN avait préparé la sixième épreuve. A l’issue de la course, les participants confirmaient l’exigence des circuits, à savoir la condition physique et le côté technique du traçage. Le parcours technique long comportant 20 postes a été remporté par Darrell High du Care Vevey en 1:22:38 devançant Beat Muller du COLJ Lausanne-Jorat en 1:25:25 et Alison High également du Care Vevey en 1:28:51. Le circuit technique moyen a été remporté par Christophe Vuitton du CO CERN et le circuit technique court par Claire-Lise Rouiller, CO CERN. Les trois pr...

  13. Orienteering club

    CERN Multimedia

    Club d’Orientation du CERN

    2015-01-01

    Courses d’orientation Nouvelle saison nouveau programme Le Club d’orientation du CERN, en partenariat avec d’autres clubs de la région, vous propose une dizaine de courses populaires comptant pour la coupe Genevoise de printemps: samedi 28 mars: Vernand Dessus samedi 18 avril: Pougny/Challex samedi 25 avril: Chancy/Valleiry samedi 2 mai: Mauvernay samedi 9 mai: Longchaumois samedi 16 mai: Genolier samedi 30 mai: Prevondavaux samedi 6 juin: Biere-Ballens samedi 13 juin: Haut-Jura samedi 20 juin: Bonmont - Finale Ces courses sont ouvertes à tous, quel que soit le niveau, du débutant au sportif confirmé, en famille ou en individuel, en promenade ou en course. Les inscriptions se font sur place le jour de l’épreuve. Si vous êtes débutant, vous pouvez profiter d’une initiation offerte par l’organisateur avant de vous lancer sur un parcours. Le club propose aussi...

  14. Orienteering Club

    CERN Multimedia

    Club d'Orientation

    2015-01-01

    Course orientation C’est au pied du Salève, proche du Golf de Bosset, que le club d’orientation du CERN (CO CERN) a organisé samedi 19 septembre une nouvelle épreuve comptant pour la Coupe Genevoise d’automne. La zone « des Terrasses de Genève » avait été cartographiée et mise en service l’année dernière. Les participants ont pu apprécier un terrain ludique avec beaucoup de microreliefs, de points d’eau et de gros rochers, le tout au milieu d’une forêt assez claire et agréable à courir. Sur le parcours technique long, le résultat a été très serré puisque Pierrick Merino du club d’Annecy a gagné avec seulement 9 secondes d’avance sur Gaëtan Vuitton (CO CERN) qui confiait avoir perdu beaucoup du te...

  15. Orienteering Club

    CERN Multimedia

    Club d'Orientation

    2012-01-01

     Course d’orientation C’est sous un magnifique soleil que s’est tenue la 7e épreuve de la coupe genevoise organisée par le club d’orientation du CERN. Les organisateurs avaient concocté des parcours assez techniques sur le site de La Faucille. Sur le parcours technique long, beau podium avec la victoire de Domenico Lepori (double médaillés aux championnats du monde en 2010 en vétéran) du club Care Vevey en 1:00:23, juste devant Jürg Niggli du club O’Jura en 1:00:56 puis Beat Mueller du club Lausanne-Jorat en 1:04:28. Sur le parcours technique moyen, Franck Longchampt s’est octroyé la première place, sur le parcours technique court, le jeune Julien Vuitton, qui n’a pas tout à fait 11 ans, a remporté son circuit. Coté parcours facile moyen, Victor Kuznetsov a une fois de plus gagn&eacut...

  16. Macroscopically Oriented Porous Materials with Periodic Ordered Structures: From Zeolites and Metal-Organic Frameworks to Liquid-Crystal-Templated Mesoporous Materials.

    Science.gov (United States)

    Cho, Joonil; Ishida, Yasuhiro

    2017-07-01

    Porous materials with molecular-sized periodic structures, as exemplified by zeolites, metal-organic frameworks, or mesoporous silica, have attracted increasing attention due to their range of applications in storage, sensing, separation, and transformation of small molecules. Although the components of such porous materials have a tendency to pack in unidirectionally oriented periodic structures, such ideal types of packing cannot continue indefinitely, generally ceasing when they reach a micrometer scale. Consequently, most porous materials are composed of multiple randomly oriented domains, and overall behave as isotropic materials from a macroscopic viewpoint. However, if their channels could be unidirectionally oriented over a macroscopic scale, the resultant porous materials might serve as powerful tools for manipulating molecules. Guest molecules captured in macroscopically oriented channels would have their positions and directions well-defined, so that molecular events in the channels would proceed in a highly controlled manner. To realize such an ideal situation, numerous efforts have been made to develop various porous materials with macroscopically oriented channels. An overview of recent studies on the synthesis, properties, and applications of macroscopically oriented porous materials is presented. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Orienteering club

    CERN Multimedia

    Club d'orientation

    2011-01-01

    Reprise fin août Le Club d’orientation, en partenariat avec d’autres clubs de la région, vous propose une nouvelle série de courses pour cet automne. Le calendrier à retenir est le suivant : Samedi 27 août : Granges Malval (GE) – type classique Samedi 10 septembre : Lamoura (39) – type classique Samedi 17 septembre : La Dôle (F/VD) – type classique Samedi 24 septembre : Monteret (VD) – relais Samedi 8 octobre : Saint Cergue (VD) – type classique Vendredi 14 octobre : Les Evaux (GE) – nocturne Samedi 15 octobre : Grand Jorat (VD) – type classique Samedi 22 octobre : Pomier (74) – type classique Samedi 5 novembre : Echallens (VD) – type classique Samedi 12 novembre : CERN (GE) - sprint - Finale Généralement cinq circuits sont disponibles : ceci va du facile court (2 km) adapt&eacu...

  18. Orienting hypnosis.

    Science.gov (United States)

    Hope, Anna E; Sugarman, Laurence I

    2015-01-01

    This article presents a new frame for understanding hypnosis and its clinical applications. Despite great potential to transform health and care, hypnosis research and clinical integration is impaired in part by centuries of misrepresentation and ignorance about its demonstrated efficacy. The authors contend that advances in the field are primarily encumbered by the lack of distinct boundaries and definitions. Here, hypnosis, trance, and mind are all redefined and grounded in biological, neurological, and psychological phenomena. Solutions are proposed for boundary and language problems associated with hypnosis. The biological role of novelty stimulating an orienting response that, in turn, potentiates systemic plasticity forms the basis for trance. Hypnosis is merely the skill set that perpetuates and influences trance. This formulation meshes with many aspects of Milton Erickson's legacy and Ernest Rossi's recent theory of mind and health. Implications of this hypothesis for clinical skills, professional training, and research are discussed.

  19. Orientation games in kindergarten

    OpenAIRE

    Pišek, Anja

    2012-01-01

    The thesis presents the area of general orientation and orientation of the child. The focus is placed on orientation games for preschool children. The first part outlines different definitions of orientation, types of orientation, accessories for orientation and major errors in orientation. It also presents the development of spatial orientation of preschool children, the development of the concept of space according to the level of cognitive development in line with the theory by Piaget,...

  20. Molecule Matters van der Waals Molecules

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 15; Issue 7. Molecule Matters van der Waals Molecules - Rg•••HF Complexes are Debye Molecules! E Arunan. Feature Article Volume 15 Issue 7 July 2010 pp 667-674. Fulltext. Click here to view fulltext PDF. Permanent link:

  1. EDITORIAL: Optical orientation Optical orientation

    Science.gov (United States)

    SAME ADDRESS *, Yuri; Landwehr, Gottfried

    2008-11-01

    priority of the discovery in the literature, which was partly caused by the existence of the Iron Curtain. I had already enjoyed contact with Boris in the 1980s when the two volumes of Landau Level Spectroscopy were being prepared [2]. He was one of the pioneers of magneto-optics in semiconductors. In the 1950s the band structure of germanium and silicon was investigated by magneto-optical methods, mainly in the United States. No excitonic effects were observed and the band structure parameters were determined without taking account of excitons. However, working with cuprous oxide, which is a direct semiconductor with a relative large energy gap, Zakharchenya and his co-worker Seysan showed that in order to obtain correct band structure parameters, it is necessary to take excitons into account [3]. About 1970 Boris started work on optical orientation. Early work by Hanle in Germany in the 1920s on the depolarization of luminescence in mercury vapour by a transverse magnetic field was not appreciated for a long time. Only in the late 1940s did Kastler and co-workers in Paris begin a systematic study of optical pumping, which led to the award of a Nobel prize. The ideas of optical pumping were first applied by Georges Lampel to solid state physics in 1968. He demonstrated optical orientation of free carriers in silicon. The detection method was nuclear magnetic resonance; optically oriented free electrons dynamically polarized the 29Si nuclei of the host lattice. The first optical detection of spin orientation was demonstrated by with the III-V semiconductor GaSb by Parsons. Due to the various interaction mechanisms of spins with their environment, the effects occurring in semiconductors are naturally more complex than those in atoms. Optical detection is now the preferred method to detect spin alignment in semiconductors. The orientation of spins in crystals pumped with circularly polarized light is deduced from the degree of circular polarization of the recombination

  2. Naphthalene diimides as tunable fluorophores suitable for single molecule applications

    Science.gov (United States)

    Bell, Toby D. M.; Yap, Sheryll; Jani, Chintan; Langford, Steven J.; Hofkens, Johan; De Schryver, Frans; Ghiggino, Kenneth P.

    2007-02-01

    The photophysics of two new substituted aminopropenyl naphthalene diimide (SANDI) dyes are reported. The molecules exhibit many of the photophysical properties required for fluorescence labeling applications including high photostability and high fluorescence quantum yields (> 0.5) in the visible region of the spectrum. Furthermore, the emission is sensitive to the number of substituents attached to the aromatic core, and to the surrounding environment. For example, in toluene as solvent, the mono-allyl SANDI has an emission maximum at 550 nm, whereas the di-allyl SANDI emits at 630 nm. The fluorescence decay times are in the range of ~8 - 12 ns and the Forster critical distance for fluorescence resonance energy transfer (FRET) between the mono- and di-allyl SANDI derivatives is 4.1 nm for a random donor-acceptor orientation. Single molecules of the di-allyl SANDI embedded in poly(methyl methacrylate) films show very low yields of photobleaching and very few fluorescence intermittencies or "blinks". These compounds are ideal candidates for applications at the single molecule level, for example, as FRET labels.

  3. Infrared light on molecule-molecule and molecule-surface collisions

    Science.gov (United States)

    Tran, H.; Vander Auwera, J.; Landsheere, X.; Ngo, N. H.; Pangui, E.; Morales, S. B.; El Hamzaoui, H.; Capoen, B.; Bouazaoui, M.; Boulet, C.; Hartmann, J.-M.

    2015-07-01

    By analyzing measured infrared absorption of pure C H4 gas under both "free" (large sample cell) and "confined" (inside the pores of a silica xerogel sample) conditions we give a demonstration that molecule-molecule and molecule-surface collisions lead to very different propensity rules for rotational-state changes. Whereas the efficiency of collisions to change the rotational state (observed through the broadening of the absorption lines) decreases with increasing rotational quantum number J for C H4-CH4 interactions, C H4 -surface collisions lead to J -independent linewidths. In the former case, some (weak) collisions are inefficient whereas, in the latter case, a single collision is sufficient to remove the molecule from its initial rotational level. Furthermore, although some gas-phase collisions leave J unchanged and only modify the angular momentum orientation and/or symmetry of the level (as observed through the spectral effects of line mixing), this is not the case for the molecule-surface collisions since they always change J (in the studied J =0 -14 range).

  4. Nanospectroscopy of thiacyanine dye molecules adsorbed on silver nanoparticle clusters

    Science.gov (United States)

    Ralević, Uroš; Isić, Goran; Anicijević, Dragana Vasić; Laban, Bojana; Bogdanović, Una; Lazović, Vladimir M.; Vodnik, Vesna; Gajić, Radoš

    2018-03-01

    The adsorption of thiacyanine dye molecules on citrate-stabilized silver nanoparticle clusters drop-cast onto freshly cleaved mica or highly oriented pyrolytic graphite surfaces is examined using colocalized surface-enhanced Raman spectroscopy and atomic force microscopy. The incidence of dye Raman signatures in photoluminescence hotspots identified around nanoparticle clusters is considered for both citrate- and borate-capped silver nanoparticles and found to be substantially lower in the former case, suggesting that the citrate anions impede the efficient dye adsorption. Rigorous numerical simulations of light scattering on random nanoparticle clusters are used for estimating the electromagnetic enhancement and elucidating the hotspot formation mechanism. The majority of the enhanced Raman signal, estimated to be more than 90%, is found to originate from the nanogaps between adjacent nanoparticles in the cluster, regardless of the cluster size and geometry.

  5. Orienteering club

    CERN Multimedia

    Club d'orientation

    2013-01-01

    Courses d’orientation Samedi 20 avril, les organisateurs du Club de CO du CERN ont accueilli au Mont Mourex 70 participants qui n’ont pas hésité à venir malgré la forte bise. Berni Wehrle du CO CERN s’est octroyé la première place en 1:04:49 sur le parcours technique long devant Pyry Kettunen du Saynso Juankoski en 1:06:52, la 3e place revenant à Bruno Barge, CO CERN, à 7 secondes. Les autres parcours ont été remportés par : Technique moyen : 1er Jacques Moisset, Chamonix (47:44), 2e Yves Rousselot, Balise 25 Besançon (57:16), 3e Jean-Bernard Zosso, CO CERN (59:28). Technique court : 1er Victor Kuznetsov, COLJ (51:53), 2e Pierrick Collet, CO CERN (1:12:52), 3e Dominique Balay, CO CERN (1:16:04). Pour les parcours facile moyen et facile court, Ralf Nardini et Léa Nicolas, tous deux du CO CERN, terminaient respectivement premier. Voi...

  6. Orienteering Club

    CERN Multimedia

    Club d'Orientation

    2012-01-01

    Relais inter-club/Challenge Carlo Milan Samedi dernier, lors de l’épreuve de course d’orientation organisée par le club du O’Jura, le moteur de la discipline était l’esprit d’équipe, puisqu’il était question d’un relais inter-club avec le Challenge Carlo Milan. Les clubs avaient aligné leurs coureurs soit sur le relais technique (trois participants) soit sur le relais facile (deux participants). Côté O’Jura, il fallait noter la participation de François Gonon, champion du monde 2011, côté club du CERN, Marie et Gaëtan Vuitton, jeunes espoirs du club, devaient préparer la piste pour lancer le dernier relayeur. Côté Lausanne-Jorat, il fallait compter sur le très jeune Viktor Kuznetsov. Les 31 équipes engagées n’ont pas m&ea...

  7. Orienteering Club

    CERN Multimedia

    Club d'Orientation

    2012-01-01

     Finale de la coupe de printemps   La dernière course d’orientation comptant pour la Coupe de printemps a eu lieu samedi dernier dans le village des Rousses et vers le Fort. Il s’agissait d’un sprint organisé par le club O’Jura. Les temps de course ont avoisiné les 20 minutes que ce soit pour le parcours technique moyen ou technique long. Tous les habitués étaient au rendez-vous pour venir consolider ou améliorer leur place au classement. A l’issue de cette course, le classement général de la Coupe de printemps prenant en compte les 6 meilleurs résultats des 9 courses était établi et les lauréats de chaque catégorie sont les suivants: Circuit technique long : 1er Berni Wehrle, 2e Bruno Barge, 3e Edvins Reisons. Circuit technique moyen : 1er Jean-Bernard Zosso, 2e Cédric Wehrl&...

  8. Orienteering club

    CERN Multimedia

    Club d'orientation

    2013-01-01

    Course d'orientation Vers les dernières courses de printemps Une centaine de coureurs se sont déplacés sur le site de la Roche Fendue prés de Morez pour gouter à un des 5 parcours proposés par le club du O’Jura. Le terrain était gras mais que peut-on trouver d’autre avec cette météo! Les vainqueurs de chaque circuit sont : Alina Niggli (O’Jura) facile court, Natalja Niggli (O’Jura) facile moyen, Victor Kuznetsov (COLJ) technique court, Yves Rousselot (Balise 25) technique moyen et pour finir François Gonon (O’Jura) avec une victoire haut la main sur le technique long. Il ne reste plus que deux épreuves pour la coupe genevoise de printemps : à savoir samedi 8 juin, course de type longue distance organisée par le club de Lausanne Jorat (COLJ) dans le bois de Seyte sur Mutrux/Concise, inscription de 12h &...

  9. Orienteering Club

    CERN Multimedia

    Club d'orientation

    2013-01-01

    Finale de la coupe d’automne La dernière épreuve de la coupe d’automne organisée par le club d’orientation du CERN s’est déroulée ce samedi 2 novembre avec une course au score dans le bois Tollot (GE). Les concurrents disposaient d’un temps imparti pour poinçonner le maximum de balises différemment placées selon le circuit choisi. Juerg Niggli (club O’Jura) a remporté le parcours technique long. A l’issue de cette course, le classement général de la coupe d’automne, basé sur les 6 meilleurs résultats de la saison, est le suivant : Circuit technique long : 1er Juerg Niggli (O’Jura), 2e Bruno Barge, 3e Beat Mueller. Circuit technique moyen : 1er Laurent Merat (O’Jura), 2e Jirden Lennart, 3e Daria Niggli. Circuit technique court : 1er Victor Kuznetsov (COLJ), 2e N...

  10. Orienteering club

    CERN Multimedia

    Club d'orientation

    2014-01-01

    Course d'orientation Finale de la coupe d’automne La dernière épreuve de la coupe d’automne organisée par le club s’est déroulée ce samedi 1er novembre avec une course type «one-man-relay» dans la forêt de Trelex (Vd). Les concurrents des circuits techniques devaient parcourir trois boucles et ceux des circuits «faciles» deux boucles, avec changements de carte. Le parcours technique long a été remporté par un membre du club, Berni Wehrle. A l’issue de cette course, le Président du club, L. Jirden annonçait le classement général de la coupe d’automne, basé sur les 6 meilleurs résultats de la saison : Circuit technique long : 1er Juerg Niggli (O’Jura), 2e Berni Wehrle, 3e Beat Mueller. Circuit technique moyen : 1er Laurent Merat (O&r...

  11. Orienteering club

    CERN Multimedia

    Club d'orientation

    2013-01-01

    Course d'orientation Finale de la coupe genevoise Rapide et méthodique, voilà les qualités dont il fallait faire preuve pour remporter la dernière étape de la coupe organisée par le club du CERN dans les bois de Monteret. Il s’agissait d’une course au score où chaque concurrent disposait d’un temps imparti pour poinçonner le maximum de balises. Le parcours technique a été remporté par Tomas Shellman et le parcours facile par Victor Dannecker. Cette dernière étape était aussi décisive pour la désignation des lauréats de la coupe genevoise de printemps. Les résultats officiels étaient donnés par le président du club, L. Jirden : Circuit Technique Long : Berni Wehrle, Bruno Barge, Edvins Reisons Circuit Technique Moyen : J.-Bernard Zosso, ...

  12. Orienteering club

    CERN Multimedia

    Club d'orientation

    2010-01-01

    COURSE D’ORIENTATION  De La Rippe à Sauvabellin, la coupe genevoise continue ! Le rendez-vous était donné samedi 8 mai aux amateurs de course d’orientation dans les bois de La Rippe (Canton de Vaud). Cette 6e épreuve était organisée par le Club Satus Grutli de Genève. Il est dommage que les participants n’aient pas été aussi nombreux que lors des dernières courses, les Championnats de France des clubs à Dijon ayant certainement retenus plus d’un compétiteur. La première place est revenue à : – Technique long : Berni Wehrle – Technique moyen : Jean-Bernard Zosso – Technique court : Berni Wehrle – Facile moyen : Peter Troscanyi – Facile court : Claire Droz. Il ne restera plus que deux épreuves ...

  13. Orienteering Club

    CERN Multimedia

    Club d'orientation

    2012-01-01

    Finale de la coupe d’automne   La coupe d’automne organisée par le club d’orientation du CERN s’est terminée ce samedi 10 novembre avec une course sprint à Prévessins. C’était la 12e épreuve de la saison. En stage dans la région, Tanya Ryabkina, championne d’Europe en titre et médaillée de bronze en moyenne distance lors des championnats du monde à La Givrine cet été, a fait l’honneur de sa présence et termine 2e à 8 secondes de Trygve Buanes, norvégien du club de Bergen. A l’issue de cette dernière épreuve, le classement général de la coupe d’automne, basé sur les 8 meilleurs résultats de la saison, est ainsi le suivant : Circuit technique long : 1er Jurg Niggli (O&rsqu...

  14. Orienteering Club

    CERN Multimedia

    Club d'Orientation

    2012-01-01

    Course d'orientation Ces deux dernières semaines, le club a organisé la troisième puis la quatrième étape de la coupe de printemps, une dans la forêt de Collogny/Moissey près de Vulbens, l’autre vers le parcours vita de Trélex. Les résultats sont: Facile court Vulbens : 1er Léo Lonchampt, O’Jura (16:04), 2e Timothée Bazin (23:07), 3e Francesco Pieri (26:57) Trélex : 1er Noora Maurent (23:11), 2e Sarah Stuber, COLJ (26:51), 3e T. Bazin (28:17) Facile moyen Vulbens : 1er Victor Kuznetsov, CO CERN (25:36), 2e Didier Descourvières (28:03), 3e Konstantinos Haider, CO CERN (36:53) Trélex : 1er V. Kuznetsov, COLJ (38:01), 2e K. Haider, CO CERN (43:15), 3e ex aequo Olivia Nguyen et Sven Vietmeier (58:11) Technique court Vulbens : 1er Benoit Bazin (41:21), 2e Colas Gintzburger (55:12), 3e Nathan Freydoz (55:48) Trélex : 1...

  15. Orienteering club

    CERN Multimedia

    Club d'orientation

    2014-01-01

    Course d'orientation C’est sous un beau soleil samedi 4 octobre que s’est déroulée la 6e étape de la Coupe genevoise d’automne organisée par le club. Plus d’une centaine de concurrents provenant de 7 clubs de CO avaient fait le déplacement pour courir sur un des cinq parcours proposés dans les bois de Trélex-Génolier (VD). Le podium est le suivant : Technique long (5,9 km, 19 postes) : 1er Jurg Niggli, O’Jura (1:00:02); 2e Berni Wehrle, CO CERN (1:06:44); 3e Konrad Ehrbar, COLJ (1:07:08) Technique moyen (4,8 km, 18 postes) : 1er Christophe Vuitton, CO CERN (54:25); 2e J.B. Zosso, CO CERN (1:01:19); 3e Jeremy Wichoud, COLJ (1:06:21) Technique court (3,8 km, 14 postes) : 1er Julien Vuitton, CO CERN (36:19); 2e Vladimir Kuznetsov, COLJ (48:47); 3e Natalia Niggli, O’Jura (50:38) Facile moyen (3,2 km, 11 postes) : 1ère Alina Niggli, O&...

  16. Orienteering Club

    CERN Multimedia

    Club d'Orientation

    2015-01-01

    Course orientation Finale de la coupe genevoise La série des courses de printemps s’est achevée samedi dernier dans les bois de Bonmont (Vaud) avec une épreuve «one-man-relay» organisée par le club. Le vainqueur du parcours technique  long, Yann Locatelli (Club de Chambéry Savoie) a réalisé les deux boucles comportant 24 balises avec presque 6 minutes d’avance sur le second concurrent Domenico Lepori (Club CARE Vevey). Cette dernière étape était aussi décisive pour la désignation des lauréats de la coupe genevoise de printemps, en comptabilisant les 6 meilleurs résultats sur les 10 épreuves. Le podium officiel était donné par le président du club, L. Jirden, qui profitait de l’occasion pour remercier tous les participants et également tous les...

  17. Orienteering Club

    CERN Multimedia

    Club d'orientation

    2013-01-01

    De jour comme de nuit Les amateurs de course d’orientation ont pu s’en donner à cœur joie ce week-end puisqu’ils avaient la possibilité de courir sur deux épreuves en moins de 24 heures. En effet, le club du CERN organisait une course de nuit aux Evaux et la 7e étape de la coupe genevoise se tenait samedi après-midi dans les bois du Grand Jorat à Savigny. Les vainqueurs pour chaque course sont : Technique long CO de nuit: Julien Charlemagne, SOS Sallanches CO samedi: Philipp Khlebnikov, ANCO   Technique moyen CO de nuit: Céline Zosso, CO CERN CO samedi: Pavel Khlebnikov, ANCO Technique court CO de nuit: Colas Ginztburger, SOS Sallanches CO samedi: Victor Kuznetsov, COLJ Lausannne Facile moyen CO de nuit: Gaëtan Rickenbacher, CO CERN CO samedi: Tamas Szoke   Facile court CO de nuit:Oriane Rickenbacher, CO CERN CO samedi: Katya Kuznetsov...

  18. Orienteering Club

    CERN Document Server

    CLUB D'ORIENTATION

    2013-01-01

    Calendrier de la coupe d’automne Le Club d’orientation du CERN, en partenariat avec d’autres clubs de la région, vous propose, pour cette nouvelle coupe d’automne genevoise, une série de 10 courses. Le club du O’Jura donnera le coup d’envoi le samedi 31 août. Les courses s’enchaîneront selon le calendrier suivant : Samedi 31 août : Prémanon (39) - longue distance Samedi 14 septembre : La Faucille (01) - longue distance Samedi 21 septembre : Saint Cergue (VD) - longue distance Samedi 28 septembre : Ballens (VD) - relais Samedi 5 octobre : La Pile (VD) - longue distance Vendredi 11 octobre : Les Evaux (GE) - nocturne Samedi 12 octobre : Grand Jorat, Savigny (VD) - longue distance Samedi 19 octobre : Terrasses de Genève (74) - longue distance Samedi 26 octobre : Prémanon (39) - longue distance Samedi 2 novembre : Bois Tollot (GE) - score - Finale Les &a...

  19. Orienteering Club

    CERN Multimedia

    Club d'Orientation

    2011-01-01

    Course d'orientation Avec la CO en nocturne organisée par le club du CERN vendredi 14 octobre au stade des Eveaux (Ge), et la CO à Savigny (Vd) proposée par le club de Lausanne-Jorat le lendemain, les étapes de la coupe genevoise d’automne s’enchainent rapidement. Il ne reste plus que 3 rendez-vous pour boucler la saison. Les premières places devraient certainement se jouer entre des membres du club du CERN, du O’Jura ou de Lausanne-Jorat. La prochaine course du club est programmée pour samedi 22 octobre à Pomier, près de Cruseilles. L’accueil se fera à partir de 12h30 et les départs s’échelonneront de 13h à 15h. * * * * * * * Nouvelle belle victoire samedi 8 octobre à Saint Cergue du jeune finlandais Ville Keskisaari (COLJ) en 50:56 devant Jürg Niggli (O’Jura) en 1:03:32, et Alexandre...

  20. Orienteering Club

    CERN Document Server

    Club d'orientation

    2013-01-01

    Course d'orientation Le coup d’envoi de la coupe genevoise a été donné samedi 31 août dans les bois de Combe Froide à Prémanon. Plus de 150 coureurs avaient fait le déplacement. Les parcours facile court, facile moyen et technique court ont été remportés par des coureurs du club O’Jura - Ulysse Dannecker, Léo Lonchampt, Franck Lonchampt, le technique moyen par Pekka Marti du club Ol Biel Seeland et le technique long par Térence Risse du CA Rosé – également membre de l’équipe nationale suisse des moins de 20 ans. Pour le club du CERN, les meilleures résultats ont été obtenus pas Emese Szunyog sur technique court et Marie Vuitton sur technique moyen avec une 4e place. La prochaine course aura lieu samedi 14 septembre à La Faucille. Le club propose aussi...

  1. Bacterial invasion reconstructed molecule by molecule

    Energy Technology Data Exchange (ETDEWEB)

    Werner, James H [Los Alamos National Laboratory

    2009-01-01

    We propose to visualize the initial stages of bacterial infection of a human host cell with unmatched spatial and temporal resolution. This work will develop a new capability for the laboratory (super-resolution optical imaging), will test unresolved scientific hypotheses regarding host-pathogen interaction dynamics, and leverages state of the art 3D molecular tracking instrumentation developed recently by our group. There is much to be gained by applying new single molecule tools to the important and familiar problem of pathogen entry into a host cell. For example, conventional fluorescence microscopy has identified key host receptors, such as CD44 and {alpha}5{beta}1 integrin, that aggregate near the site of Salmonella typhimurium infection of human cells. However, due to the small size of the bacteria ({approx} 2 {micro}m) and the diffraction of the emitted light, one just sees a fluorescent 'blob' of host receptors that aggregate at the site of attachment, making it difficult to determine the exact number of receptors present or whether there is any particular spatial arrangement of the receptors that facilitates bacterial adhesion/entry. Using newly developed single molecule based super-resolution imaging methods, we will visualize how host receptors are directed to the site of pathogen adhesion and whether host receptors adopt a specific spatial arrangement for successful infection. Furthermore, we will employ our 3D molecular tracking methods to follow the injection of virulence proteins, or effectors, into the host cell by the pathogen Type III secretion system (TTSS). We expect these studies to provide mechanistic insights into the early events of pathogen infection that have here-to-fore been technically beyond our reach. Our Research Goals are: Goal 1--Construct a super-resolution fluorescence microscope and use this new capability to image the spatial distribution of different host receptors (e.g. CD44, as {alpha}5{beta}1 integrin) at the

  2. Magnetic switching of Fe-porphyrin molecules adsorbed on surfaces: An XAFS and XMCD study

    Energy Technology Data Exchange (ETDEWEB)

    Baberschke, Klaus, E-mail: bab@physik.fu-berlin.d [Institut fuer Experimentalphysik, Freie Universitaet Berlin, Arnimallee 14, D-14195 Berlin (Germany)

    2009-11-15

    Metalorganic molecules like Fe-porphyrin or haemoglobin have been investigated in great detail in the past. Its importance is obvious and has been measured mostly with molecules in random orientation. Here we report on experiments of a single monolayer of Fe-porphyrin in UHV aligned flat on ferromagnetic Ni and Co films. NEXAFS with linear and circular polarization is the spectroscopy of choice; it is elementspecific and measures the electronic structure as well as the magnetism at once. For the flat oriented monolayer of porphyrin molecules we have measured the angular dependence of XAFS at the C and N K-edge and XMCD at the Fe L-edges. The paramagnetic Fe-spin is aligned with respect to the ferromagnetic substrate. This can be parallel or antiparallel. Also nonmagnetic substrates like Cu (100) plus an external magnetic field will align the magnetic Fe-moment. This altogether opens a huge field for switching the 3d-spin from parallel to perpendicular of the molecular plane, which in turn will modify the electronic transport properties and act as a single molecular switch.

  3. [Biophysics of single molecules].

    Science.gov (United States)

    Serdiuk, I N; Deriusheva, E I

    2011-01-01

    The modern methods of research of biological molecules whose application led to the development of a new field of science, biophysics of single molecules, are reviewed. The measurement of the characteristics of single molecules enables one to reveal their individual features, and it is just for this reason that much more information can be obtained from one molecule than from the entire ensample of molecules. The high sensitivity of the methods considered in detail makes it possible to come close to the solution of the basic problem of practical importance, namely, the determination of the nucleotide sequence of a single DNA molecule.

  4. Interlayer superfluidity in bilayer systems of fermionic polar molecules

    NARCIS (Netherlands)

    Pikovski, A.; Klawunn, M.; Shlyapnikov, G.V.; Santos, L.

    2010-01-01

    We consider fermionic polar molecules in a bilayer geometry where they are oriented perpendicularly to the layers, which permits both low inelastic losses and superfluid pairing. The dipole-dipole interaction between molecules of different layers leads to the emergence of interlayer superfluids. The

  5. CD molecules 2005: human cell differentiation molecules

    Czech Academy of Sciences Publication Activity Database

    Zola, H.; Swart, B.; Nicholson, I.; Aasted, B.; Bensussan, A.; Boumsell, L.; Buckley, C.; Clark, G.; Drbal, Karel; Engel, P.; Hart, D.; Hořejší, Václav; Isacke, C.; Macardle, P.; Malavasi, F.; Mason, D.; Olive, D.; Saalmüller, A.; Schlossman, S.F.; Schwartz-Albiez, R.; Simmons, P.; Tedder, T.F.; Uguccioni, M.; Warren, H.

    2005-01-01

    Roč. 106, č. 9 (2005), s. 3123-3126 ISSN 0006-4971 Institutional research plan: CEZ:AV0Z5052915 Keywords : CD molecules * leukocyte antigen Subject RIV: EC - Immunology Impact factor: 10.131, year: 2005

  6. Strategy to discover diverse optimal molecules in the small molecule universe.

    Science.gov (United States)

    Rupakheti, Chetan; Virshup, Aaron; Yang, Weitao; Beratan, David N

    2015-03-23

    The small molecule universe (SMU) is defined as a set of over 10(60) synthetically feasible organic molecules with molecular weight less than ∼500 Da. Exhaustive enumerations and evaluation of all SMU molecules for the purpose of discovering favorable structures is impossible. We take a stochastic approach and extend the ACSESS framework ( Virshup et al. J. Am. Chem. Soc. 2013 , 135 , 7296 - 7303 ) to develop diversity oriented molecular libraries that can generate a set of compounds that is representative of the small molecule universe and that also biases the library toward favorable physical property values. We show that the approach is efficient compared to exhaustive enumeration and to existing evolutionary algorithms for generating such libraries by testing in the NKp fitness landscape model and in the fully enumerated GDB-9 chemical universe containing 3 × 10(5) molecules.

  7. Tunable Holstein model with cold polar molecules

    Energy Technology Data Exchange (ETDEWEB)

    Herrera, Felipe; Krems, Roman V. [Department of Chemistry, University of British Columbia, Vancouver, British Columbia, V6T 1Z1 (Canada)

    2011-11-15

    We show that an ensemble of polar molecules trapped in an optical lattice can be considered as a controllable open quantum system. The coupling between collective rotational excitations and the motion of the molecules in the lattice potential can be controlled by varying the strength and orientation of an external dc electric field as well as the intensity of the trapping laser. The system can be described by a generalized Holstein Hamiltonian with tunable parameters and can be used as a quantum simulator of excitation energy transfer and polaron phenomena. We show that the character of excitation energy transfer can be modified by tuning experimental parameters.

  8. TIRF and its application to protein adsorption : electrostatics and orientation

    NARCIS (Netherlands)

    Bos, M.A.

    1994-01-01

    The aim of the study in this thesis was to develop a method for determining the orientation of adsorbed protein molecules and to study the influence of the electrical potential of the interface on the interfacial properties of proteins, including their orientation.

    In the adsorption

  9. Market orientation in the hospital industry.

    Science.gov (United States)

    Bhuian, S N; Abdul-Gader, A

    1997-01-01

    Using the more recent methodological developments in the assessment of the unidemensionality, reliability, and validity, the authors developed and examined a scale of market orientation for the hospital industry. The scale is based on a clear definition of the content of the construct of market orientation in the hospital industry. To this end, a national random sample of 237 hospital administrators was used. In addition to the support for the reliability and validity, the scale promises parsimony, pragmatism, and wide-ranging applicability.

  10. Formation of Ultracold Molecules

    Energy Technology Data Exchange (ETDEWEB)

    Cote, Robin [Univ. of Connecticut, Storrs, CT (United States)

    2016-01-28

    Advances in our ability to slow down and cool atoms and molecules to ultracold temperatures have paved the way to a revolution in basic research on molecules. Ultracold molecules are sensitive of very weak interactions, even when separated by large distances, which allow studies of the effect of those interactions on the behavior of molecules. In this program, we have explored ways to form ultracold molecules starting from pairs of atoms that have already reached the ultracold regime. We devised methods that enhance the efficiency of ultracold molecule production, for example by tuning external magnetic fields and using appropriate laser excitations. We also investigates the properties of those ultracold molecules, especially their de-excitation into stable molecules. We studied the possibility of creating new classes of ultra-long range molecules, named macrodimers, thousand times more extended than regular molecules. Again, such objects are possible because ultra low temperatures prevent their breakup by collision. Finally, we carried out calculations on how chemical reactions are affected and modified at ultracold temperatures. Normally, reactions become less effective as the temperature decreases, but at ultracold temperatures, they can become very effective. We studied this counter-intuitive behavior for benchmark chemical reactions involving molecular hydrogen.

  11. Theory of concentration depolarization in the presence of orientational correlations

    NARCIS (Netherlands)

    Knoester, J.; Himbergen, J.E. Van

    1986-01-01

    A theory is presented that incorporates the effect of orientational correlations between luminescent molecules on the fluorescence depolarization due to incoherent energy transfer. The luminescent molecules are embedded in a homogeneous two- or three-dimensional medium which is in an axially

  12. Entrepreneurial orientation, market orientation, and competitive environment

    DEFF Research Database (Denmark)

    Sørensen, Hans Eibe; Cadogan, John W.

    This study sheds light on the role that the competitive environment plays in determining how elements of market orientation and elements of entrepreneurial orientation interact to influence business success. We develop a model in which we postulate that market orientation, entrepreneurial...... orientation, and competitive environment shape business performance via a three-way interaction. We test the model using primary data from the CEOs of 270 CEO of manufacturing firms, together with secondary data on these firms' profit performance. An assessment of the results indicates that customer...... orientations. Also, these moderating effects are stronger for firms operating in highly competitive environments. For the innovativeness component of entrepreneurship, however, the positive relationship between innovativeness and ROA decreases as the competitive environment becomes more hostile....

  13. Effect of renin-angiotensin-aldosterone system inhibition, dietary sodium restriction, and/or diuretics on urinary kidney injury molecule 1 excretion in nondiabetic proteinuric kidney disease: a post hoc analysis of a randomized controlled trial

    NARCIS (Netherlands)

    Waanders, Femke; Vaidya, Vishal S.; van Goor, Harry; Leuvenink, Henri; Damman, Kevin; Hamming, Inge; Bonventre, Joseph V.; Vogt, Liffert; Navis, Gerjan

    2009-01-01

    Tubulointerstitial damage plays an important role in chronic kidney disease (CKD) with proteinuria. Urinary kidney injury molecule 1 (KIM-1) reflects tubular KIM-1 and is considered a sensitive biomarker for early tubular damage. We hypothesized that a decrease in proteinuria by using therapeutic

  14. Effect of Renin-Angiotensin-Aidosterone System Inhibition, Dietary Sodium Restriction, and/or Diuretics on Urinary Kidney Injury Molecule 1 Excretion in Nondiabetic Proteinuric Kidney Disease : A Post Hoc Analysis of a Randomized Controlled Trial

    NARCIS (Netherlands)

    Waanders, Femke; Vaidya, Vishal S.; van Goor, Harry; Leuvenink, Henri; Damman, Kevin; Hamming, Inge; Bonventre, Joseph V.; Vogt, Liffert; Navis, Gerjan

    Background: Tubulointerstitial damage plays an important role in chronic kidney disease (CKD) with proteinuria. Urinary kidney injury molecule 1 (KIM-1) reflects tubular KIM-1 and is considered a sensitive biomarker for early tubular damage. We hypothesized that a decrease in proteinuria by using

  15. Circular Intensity Differential Scattering of chiral molecules

    Energy Technology Data Exchange (ETDEWEB)

    Bustamante, C.J.

    1980-12-01

    In this thesis a theory of the Circular Intensity Differential Scattering (CIDS) of chiral molecules as modelled by a helix oriented with respect to the direction of incidence of light is presented. It is shown that a necessary condition for the existence of CIDS is the presence of an asymmetric polarizability in the scatterer. The polarizability of the scatterer is assumed generally complex, so that both refractive and absorptive phenomena are taken into account.

  16. Ultracold Polar Molecules

    Science.gov (United States)

    2016-04-01

    formation of ultracold 87RbCs molecules in their rovibrational ground state by magnetoassociation followed by STIRAP, resulting in 14 papers acknowledging...produce at high densities. We revealed broad Feshbach resonances that we hope will allow production of higher-density 85Rb clouds. We are now...attempting to achieve the next step, formation of 85RbCs molecules. 15. SUBJECT TERMS EOARD, ultracold polar molecules, Feshbach resonance 16. SECURITY

  17. Localized modes in orientation-disordered uniaxial medium

    Energy Technology Data Exchange (ETDEWEB)

    Wan Zhenzhu; Han Yanling [School of Mathematics and Physics, China University of Geosciences, Wuhan 430074 (China); Wang Hong, E-mail: wanghong745@sohu.com, E-mail: w_pearl2008@163.com [Center of Information and Laboratory, China University of Geosciences, Wuhan 430074 (China)

    2011-02-01

    Using a 4x4 transfer matrix method, localized modes in orientation-disordered uniaxial medium have been investigated. We confirm that localized modes origin from the randomness of spatial orientation of optical axes. The misalignment of the optical axe provides the opportunity for a rearrangement of the localized modes. The number of localize mode also closely relative to the spatial orientation of optical axis. Numerical results indicate that it is possible to adjust the localized modes through altering the relative orientation of the optical axes of scatterers. This study is an importance for well understanding of localization of light wave and lasing action in anisotropic random media.

  18. Entrepreneurial Orientation and Internationalisation

    DEFF Research Database (Denmark)

    Decker, Arnim; Rollnik-Sadowska, Ewa; Servais, Per

    orientation as an attitude held by principals we investigate how entrepreneurial orientation affected the behaviour of these firms, specifically in terms of their internationalisation. Despite the fact that all firms have identical roots we find that entrepreneurial orientation held by their principals affect...

  19. Molecule of the Month

    Indian Academy of Sciences (India)

    The most logical way to reduce the reactivity of a molecule of 1 would be to put a single molecule of 1 in an unreactive "cage". Chemistry Nobel winner Donald J. Cram (1987) has shown that it is indeed possible (Angew. Chem. Int. Ed. Engl., 30, 1028. 1991)!. Cram and co-workers synthesized a variety of spheroidal molecu-.

  20. Single-Molecule Spectroscopy

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 20; Issue 2. Single-Molecule Spectroscopy: Every Molecule is Different! Kankan Bhattacharyya. General Article Volume 20 Issue 2 February 2015 pp 151-164. Fulltext. Click here to view fulltext PDF. Permanent link:

  1. Algebraic theory of molecules

    CERN Document Server

    Iachello, F

    1995-01-01

    1. The Wave Mechanics of Diatomic Molecules. 2. Summary of Elements of Algebraic Theory. 3. Mechanics of Molecules. 4. Three-Body Algebraic Theory. 5. Four-Body Algebraic Theory. 6. Classical Limit and Coordinate Representation. 8. Prologue to the Future. Appendices. Properties of Lie Algebras; Coupling of Algebras; Hamiltonian Parameters

  2. ISOLATED MOLECULES IN METALS

    NARCIS (Netherlands)

    1992-01-01

    In this paper, some results obtained on the formation of isolated molecules of composition SnOx in silver and SnFx in copper-are reviewed. Hyperfine interaction and ion beam interaction techniques were used for the identification of these molecules.

  3. Electrons in Molecules

    Indian Academy of Sciences (India)

    “What are electrons doing in molecules?” This is a deceptively simple question that scientists have been trying to answer for more than eighty years. With the advent of quantum mechanics in 1926, it became clear that we must understand the dynamics of electronic motion in atoms, molecules and solids in order to explain ...

  4. Molecule of the Month

    Indian Academy of Sciences (India)

    Atoms in a molecule generally prefer, particularly among the neighbouring ones, certain optimmn geometrical relationships. These are manifested in specific ranges of bond lengths, bond angles, torsion angles etc. As it always happens, chemists are interested in making molecules where these 'standard relationships' are ...

  5. Single molecule electronic devices.

    Science.gov (United States)

    Song, Hyunwook; Reed, Mark A; Lee, Takhee

    2011-04-12

    Single molecule electronic devices in which individual molecules are utilized as active electronic components constitute a promising approach for the ultimate miniaturization and integration of electronic devices in nanotechnology through the bottom-up strategy. Thus, the ability to understand, control, and exploit charge transport at the level of single molecules has become a long-standing desire of scientists and engineers from different disciplines for various potential device applications. Indeed, a study on charge transport through single molecules attached to metallic electrodes is a very challenging task, but rapid advances have been made in recent years. This review article focuses on experimental aspects of electronic devices made with single molecules, with a primary focus on the characterization and manipulation of charge transport in this regime. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Conductance and Surface-Enhanced Raman Scattering of Single Molecules Utilizing Dimers of Nanoparticles

    Science.gov (United States)

    Dadosh, Tali

    conductance at certain voltage values. The position of peaks in the spectrum was affected by the electrostatic environment, resulting in random gating. In view of the above developments, my thesis focuses on surface-enhanced Raman scattering (SERS) measurement of single molecules. Single-molecule spectroscopy is an emerging field that provides detailed information on molecular response, which is unavailable in measurements performed on an assembly of molecules. The obvious problem, however, in implementing most spectroscopic techniques, such as Raman scattering, is the very weak signal obtained from a single molecule. Interestingly, the Raman signal from a molecule has been shown to increase dramatically when the molecule is adsorbed to metal particles of certain types having sub-wavelength dimensions [1, 2]. This enhancement technique, known as surface-enhanced Raman scattering, can increase the Raman signal by as much as 14--15 orders of magnitude, which has been shown to be sufficient for performing single-molecule spectroscopy successfully. Dimer structures are not only attractive for conductance measurements on single-molecule devices; they could also serve as an efficient antenna system that greatly enhances the electromagnetic field at the center of the dimer, where the molecule resides. Dimers provide a basic experimental model for studying the fundamentals of the SERS enhancement, which are not well understood. Dimers have the advantage of possessing a small gap (on the order of a nanometer) that is beyond the limit of today's sophisticated lithography techniques. By utilizing the dimer structures that contain a Rhodamine 123 molecule, we were able to resolve some fundamental questions regarding the SERS enhancement mechanism. The issue of how the nanoparticles' surface plasmon properties affects the SERS enhancement was addressed both experimentally and by calculations. Moreover, it was predicted by our calculations that when the dimers consist of large

  7. Understanding political market orientation

    DEFF Research Database (Denmark)

    Ormrod, Robert P.; Henneberg, Stephan C.

    This article develops a conceptual framework and measurement model of political market orientation that consists of attitudinal and behavioural constructs. The article reports on perceived relationships among different behavioral aspects of political market orientation and the attitudinal...... influences of such behavior. The study includes structural equation modeling to investigate several propositions. While the results show that political parties need to focus on several different aspects of market-oriented behavior, especially using an internal and external orientation as cultural antecedents......, a more surprising result is the inconclusive effect of a voter orientation on market-oriented behaviours. The article discusses the findings in the context of the existing literature in political marketing and commercial market orientation....

  8. Summary Time Oriented Record (STOR)

    Science.gov (United States)

    O'Keefe, Q.E. Whiting; Simborg, Donald W.

    1980-01-01

    STOR is a computerized three component, time-oriented, summary, medical record designed to partially replace the traditional paper chart in the outpatient clinics at the University of California San Francisco. Information from at least four distributed databases functioning independently is brought together in a single paper document. Informationally, STOR is prioritized, displays inter-problem and chronological relationships, provides a high degree of physician control over the display and provides a great deal of information with little manual physician effort. Besides the usual issues of cost, impact, and acceptance, the evaluation will address the question of the informational competence of STOR in two single blind randomized controlled trials.

  9. Nanodevices for generating power from molecules and batteryless sensing

    Science.gov (United States)

    Wang, Yinmin; Wang, Xianying; Hamza, Alex V.

    2015-06-09

    A nanoconverter or nanosensor is disclosed capable of directly generating electricity through physisorption interactions with molecules that are dipole containing organic species in a molecule interaction zone. High surface-to-volume ratio semiconductor nanowires or nanotubes (such as ZnO, silicon, carbon, etc.) are grown either aligned or randomly-aligned on a substrate. Epoxy or other nonconductive polymers are used to seal portions of the nanowires or nanotubes to create molecule noninteraction zones. By correlating certain molecule species to voltages generated, a nanosensor may quickly identify which species is detected. Nanoconverters in a series parallel arrangement may be constructed in planar, stacked, or rolled arrays to supply power to nano- and micro-devices without use of external batteries. In some cases breath, from human or other life forms, contain sufficient molecules to power a nanoconverter. A membrane permeable to certain molecules around the molecule interaction zone increases specific molecule nanosensor selectivity response.

  10. Nanodevices for generating power from molecules and batteryless sensing

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yinmin; Wang, Xianying; Hamza, Alex V.

    2017-01-03

    A nanoconverter or nanosensor is disclosed capable of directly generating electricity through physisorption interactions with molecules that are dipole containing organic species in a molecule interaction zone. High surface-to-volume ratio semiconductor nanowires or nanotubes (such as ZnO, silicon, carbon, etc.) are grown either aligned or randomly-aligned on a substrate. Epoxy or other nonconductive polymers are used to seal portions of the nanowires or nanotubes to create molecule noninteraction zones. By correlating certain molecule species to voltages generated, a nanosensor may quickly identify which species is detected. Nanoconverters in a series parallel arrangement may be constructed in planar, stacked, or rolled arrays to supply power to nano- and micro-devices without use of external batteries. In some cases breath, from human or other life forms, contain sufficient molecules to power a nanoconverter. A membrane permeable to certain molecules around the molecule interaction zone increases specific molecule nanosensor selectivity response.

  11. Nanodevices for generating power from molecules and batteryless sensing

    Science.gov (United States)

    Wang, Yinmin; Wang, Xianying; Hamza, Alex V.

    2014-07-15

    A nanoconverter or nanosensor is disclosed capable of directly generating electricity through physisorption interactions with molecules that are dipole containing organic species in a molecule interaction zone. High surface-to-volume ratio semiconductor nanowires or nanotubes (such as ZnO, silicon, carbon, etc.) are grown either aligned or randomly-aligned on a substrate. Epoxy or other nonconductive polymers are used to seal portions of the nanowires or nanotubes to create molecule noninteraction zones. By correlating certain molecule species to voltages generated, a nanosensor may quickly identify which species is detected. Nanoconverters in a series parallel arrangement may be constructed in planar, stacked, or rolled arrays to supply power to nano- and micro-devices without use of external batteries. In some cases breath, from human or other life forms, contain sufficient molecules to power a nanoconverter. A membrane permeable to certain molecules around the molecule interaction zone increases specific molecule nanosensor selectivity response.

  12. Single molecule logical devices.

    Science.gov (United States)

    Renaud, Nicolas; Hliwa, Mohamed; Joachim, Christian

    2012-01-01

    After almost 40 years of development, molecular electronics has given birth to many exciting ideas that range from molecular wires to molecular qubit-based quantum computers. This chapter reviews our efforts to answer a simple question: how smart can a single molecule be? In our case a molecule able to perform a simple Boolean function is a child prodigy. Following the Aviram and Ratner approach, these molecules are inserted between several conducting electrodes. The electronic conduction of the resulting molecular junction is extremely sensitive to the chemical nature of the molecule. Therefore designing this latter correctly allows the implementation of a given function inside the molecular junction. Throughout the chapter different approaches are reviewed, from hybrid devices to quantum molecular logic gates. We particularly stress that one can implement an entire logic circuit in a single molecule, using either classical-like intramolecular connections, or a deformation of the molecular orbitals induced by a conformational change of the molecule. These approaches are radically different from the hybrid-device approach, where several molecules are connected together to build the circuit.

  13. Dynamics of Activated Molecules

    Energy Technology Data Exchange (ETDEWEB)

    Mullin, Amy S. [Univ. of Maryland, College Park, MD (United States)

    2016-11-16

    Experimental studies have been performed to investigate the collisional energy transfer processes of gas-phase molecules that contain large amounts of internal energy. Such molecules are prototypes for molecules under high temperature conditions relevant in combustion and information about their energy transfer mechanisms is needed for a detailed understanding and modeling of the chemistry. We use high resolution transient IR absorption spectroscopy to measure the full, nascent product distributions for collisions of small bath molecules that relax highly vibrationally excited pyrazine molecules with E=38000 cm-1 of vibrational energy. To perform these studies, we developed new instrumentation based on modern IR light sources to expand our experimental capabilities to investigate new molecules as collision partners. This final report describes our research in four areas: the characterization of a new transient absorption spectrometer and the results of state-resolved collision studies of pyrazine(E) with HCl, methane and ammonia. Through this research we have gained fundamental new insights into the microscopic details of relatively large complex molecules at high energy as they undergo quenching collisions and redistribute their energy.

  14. Laser-assisted control of molecular orientation at high temperatures

    Science.gov (United States)

    Zhdanov, Dmitry V.; Zadkov, Victor N.

    2008-01-01

    A method of laser-assisted field-free dynamic molecular orientation employing a short, moderately intense three-color phase-locked laser pulse is proposed. Numerical simulations show that it provides an exceedingly effective control of orientation in molecular gases even at room temperatures. The underlying mechanism is based on the specific laser-induced orientation-dependent selective excitation of molecules and subsequent self-transformation of the induced geometrical orientation into a dynamical one. It is shown that this mechanism is significantly more powerful than the widely investigated kick mechanism.

  15. Electron correlation in molecules

    CERN Document Server

    Wilson, S

    2007-01-01

    Electron correlation effects are of vital significance to the calculation of potential energy curves and surfaces, the study of molecular excitation processes, and in the theory of electron-molecule scattering. This text describes methods for addressing one of theoretical chemistry's central problems, the study of electron correlation effects in molecules.Although the energy associated with electron correlation is a small fraction of the total energy of an atom or molecule, it is of the same order of magnitude as most energies of chemical interest. If the solution of quantum mechanical equatio

  16. Heavy exotic molecules

    Science.gov (United States)

    Liu, Yizhuang; Zahed, Ismail

    We briefly review the formation of pion-mediated heavy-light exotic molecules with both charm and bottom, under the general structures of chiral and heavy quark symmetries. The charm isosinglet exotic molecules with JPC = 1++ binds, which we identify as the reported neutral X(3872). The bottom isotriplet exotic with JPC = 1+1 binds, and is identified as a mixed state of the reported charged exotics Zb+(10610) and Zb-(10650). The bound bottom isosinglet molecule with JPC = 1++ is a possible neutral Xb(10532) to be observed.

  17. Semiconductor monolayer assemblies with oriented crystal faces

    KAUST Repository

    Ma, Guijun

    2012-01-01

    Fabrication of two-dimensional monolayers of crystalline oxide and oxynitride particles was attempted on glass plate substrates. X-Ray diffraction patterns of the assemblies show only specific crystal facets, indicative of the uniform orientation of the particles on the substrate. The selectivity afforded by this immobilization technique enables the organization of randomly distributed polycrystalline powders in a controlled manner.

  18. Orientation correlations in aluminium deformed by ECAE

    DEFF Research Database (Denmark)

    Bowen, Jacob R.; Mishin, Oleg; Prangnell, P.B.

    2002-01-01

    Distributions of boundary misorientations measured in an Al–0.13%Mg alloy, processed by equal channel angular extrusion to a von Mises effective strain of 10, have been compared to misorientation distributions generated from a random mix of orientations present in the microstructure. A significan...

  19. Diversity-oriented approach for chemical biology.

    Science.gov (United States)

    Lee, Jun-Seok; Lee, Jae Wook; Kang, Namyoung; Ha, Hyung-Ho; Chang, Young-Tae

    2015-04-01

    Synthetic molecules that modulate and probe biological events are critical tools in chemical biology. Utilizing combinatorial and diversity-oriented synthetic strategies, access to large numbers of small molecules is becoming more and more feasible, and research groups in this field can take advantage of the power of chemical diversity. Since the majority of early studies were focused on the discovery of compounds that perturb protein functions, diversity-based approaches are often considered as therapeutic lead discovery tactics. However, the diversity-oriented approach can also be applied to advance distinct aims, such as target protein identification, or the development of imaging probes and sensors. This review provides a personal perspective of the chemical-diversity-based approach and how this principle can be adapted to various chemical biology studies. Copyright © 2015 The Chemical Society of Japan and Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Single molecules and nanotechnology

    CERN Document Server

    Vogel, Horst

    2007-01-01

    This book focuses on recent advances in the rapidly evolving field of single molecule research. These advances are of importance for the investigation of biopolymers and cellular biochemical reactions, and are essential to the development of quantitative biology. Written by leading experts in the field, the articles cover a broad range of topics, including: quantum photonics of organic dyes and inorganic nanoparticles their use in detecting properties of single molecules the monitoring of single molecule (enzymatic) reactions single protein (un)folding in nanometer-sized confined volumes the dynamics of molecular interactions in biological cells The book is written for advanced students and scientists who wish to survey the concepts, techniques and results of single molecule research and assess them for their own scientific activities.

  1. Quantum dot molecules

    CERN Document Server

    Wu, Jiang

    2014-01-01

    This book reviews recent advances in the exciting and rapidly growing field of quantum dot molecules (QDMs). It offers state-of-the-art coverage of novel techniques and connects fundamental physical properties with device design.

  2. Electron-molecule collisions

    CERN Document Server

    Takayanagi, Kazuo

    1984-01-01

    Scattering phenomena play an important role in modern physics. Many significant discoveries have been made through collision experiments. Amongst diverse kinds of collision systems, this book sheds light on the collision of an electron with a molecule. The electron-molecule collision provides a basic scattering problem. It is scattering by a nonspherical, multicentered composite particle with its centers having degrees of freedom of motion. The molecule can even disintegrate, Le., dissociate or ionize into fragments, some or all of which may also be molecules. Although it is a difficult problem, the recent theoretical, experimental, and computational progress has been so significant as to warrant publication of a book that specializes in this field. The progress owes partly to technical develop­ ments in measurements and computations. No less important has been the great and continuing stimulus from such fields of application as astrophysics, the physics of the earth's upper atmosphere, laser physics, radiat...

  3. The roles of bulk and interfacial molecular orientations in determining the performance of organic bilayer solar cells

    KAUST Repository

    Ngongang Ndjawa, Guy O.

    2014-09-09

    Molecular orientation plays a significant role in determining the performance of small molecule solar cells. Key photovoltaic processes in these cells are strongly dependent on how the molecules are oriented in the active layer. We isolate contributions arising from the bulk molecular orientations vs. those from interfacial orientations in ZnPc/C60 bilayer systems and we probe these contributions by comparing device pairs in which only the bulk or the interface differ. By controlling the orientation in the bulk the current can be strongly modulated, whereas controlling the interfacial molecular orientation and degree of intermixing mediate the voltage.

  4. Conserved linear dynamics of single-molecule Brownian motion

    KAUST Repository

    Serag, Maged F.

    2017-06-06

    Macromolecular diffusion in homogeneous fluid at length scales greater than the size of the molecule is regarded as a random process. The mean-squared displacement (MSD) of molecules in this regime increases linearly with time. Here we show that non-random motion of DNA molecules in this regime that is undetectable by the MSD analysis can be quantified by characterizing the molecular motion relative to a latticed frame of reference. Our lattice occupancy analysis reveals unexpected sub-modes of motion of DNA that deviate from expected random motion in the linear, diffusive regime. We demonstrate that a subtle interplay between these sub-modes causes the overall diffusive motion of DNA to appear to conform to the linear regime. Our results show that apparently random motion of macromolecules could be governed by non-random dynamics that are detectable only by their relative motion. Our analytical approach should advance broad understanding of diffusion processes of fundamental relevance.

  5. Huygens-Fresnel picture for electron-molecule elastic scattering★

    Science.gov (United States)

    Baltenkov, Arkadiy S.; Msezane, Alfred Z.

    2017-11-01

    The elastic scattering cross sections for a slow electron by C2 and H2 molecules have been calculated within the framework of the non-overlapping atomic potential model. For the amplitudes of the multiple electron scattering by a target the wave function of the molecular continuum is represented as a combination of a plane wave and two spherical waves generated by the centers of atomic spheres. This wave function obeys the Huygens-Fresnel principle according to which the electron wave scattering by a system of two centers is accompanied by generation of two spherical waves; their interaction creates a diffraction pattern far from the target. Each of the Huygens waves, in turn, is a superposition of the partial spherical waves with different orbital angular momenta l and their projections m. The amplitudes of these partial waves are defined by the corresponding phases of electron elastic scattering by an isolated atomic potential. In numerical calculations the s- and p-phase shifts are taken into account. So the number of interfering electron waves is equal to eight: two of which are the s-type waves and the remaining six waves are of the p-type with different m values. The calculation of the scattering amplitudes in closed form (rather than in the form of S-matrix expansion) is reduced to solving a system of eight inhomogeneous algebraic equations. The differential and total cross sections of electron scattering by fixed-in-space molecules and randomly oriented ones have been calculated as well. We conclude by discussing the special features of the S-matrix method for the case of arbitrary non-spherical potentials. Contribution to the Topical Issue "Low energy positron and electron interactions", edited by James Sullivan, Ron White, Michael Bromley, Ilya Fabrikant, and David Cassidy.

  6. On object-orientation

    NARCIS (Netherlands)

    Diertens, B.

    2010-01-01

    Although object-orientation has been around for several decades, its key concept abstraction has not been exploited for proper application of object-orientation in other phases of software development than the implementation phase. We mention some issues that lead to a lot of confusion and obscurity

  7. Aspect-Oriented Programming

    NARCIS (Netherlands)

    Bergmans, Lodewijk; Videira Lopes, Cristina; Moreira, Ana; Demeyer, Serge

    1999-01-01

    Aspect-oriented programming is a promising idea that can improve the quality of software by reduce the problem of code tangling and improving the separation of concerns. At ECOOP'97, the first AOP workshop brought together a number of researchers interested in aspect-orientation. At ECOOP'98, during

  8. MOLECULES IN {eta} CARINAE

    Energy Technology Data Exchange (ETDEWEB)

    Loinard, Laurent; Menten, Karl M.; Guesten, Rolf [Max-Planck Institut fuer Radioastronomie, Auf dem Huegel 69, 53121 Bonn (Germany); Zapata, Luis A.; Rodriguez, Luis F. [Centro de Radioastronomia y Astrofisica, Universidad Nacional Autonoma de Mexico, Apartado Postal 3-72, 58090 Morelia, Michoacan (Mexico)

    2012-04-10

    We report the detection toward {eta} Carinae of six new molecules, CO, CN, HCO{sup +}, HCN, HNC, and N{sub 2}H{sup +}, and of two of their less abundant isotopic counterparts, {sup 13}CO and H{sup 13}CN. The line profiles are moderately broad ({approx}100 km s{sup -1}), indicating that the emission originates in the dense, possibly clumpy, central arcsecond of the Homunculus Nebula. Contrary to previous claims, CO and HCO{sup +} do not appear to be underabundant in {eta} Carinae. On the other hand, molecules containing nitrogen or the {sup 13}C isotope of carbon are overabundant by about one order of magnitude. This demonstrates that, together with the dust responsible for the dimming of {eta} Carinae following the Great Eruption, the molecules detected here must have formed in situ out of CNO-processed stellar material.

  9. Fermi liquid of two-dimensional polar molecules

    NARCIS (Netherlands)

    Lu, Z.K; Shlyapnikov, G.V.

    2012-01-01

    We study Fermi-liquid properties of a weakly interacting two-dimensional gas of single-component fermionic polar molecules with dipole moments d oriented perpendicularly to the plane of their translational motion. This geometry allows the minimization of inelastic losses due to chemical reactions

  10. Molecule of the Month

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 1; Issue 2. Molecule of the Month Isomers of Benzene - Still Pursuing Dreams. J Chandrasekhar. Feature Article Volume 1 Issue 2 February 1996 pp 80-83. Fulltext. Click here to view fulltext PDF. Permanent link:

  11. Electrons in Molecules

    Indian Academy of Sciences (India)

    etc.) as well as explain the variations in bond lengths, bond angles, conformational angles, barriers to internal rotation! inversion, stretching!bending force constants, etc. However, when a molecule is quite large, with many occupied MOs, it is not advisable to bypass the actual computation of forces. As another application of ...

  12. Molecule-based magnets

    Indian Academy of Sciences (India)

    Keywords. Molecular lattices; spin–spin interaction; photo-induced magnetism; single molecule magnets. ... Since the first successful synthesis of molecular magnets in 1986, a large variety of them have been synthesized, which can be categorized on the basis of the chemical nature of the magnetic units involved: organic-, ...

  13. Atoms, Molecules, and Compounds

    CERN Document Server

    Manning, Phillip

    2007-01-01

    Explores the atoms that govern chemical processes. This book shows how the interactions between simple substances such as salt and water are crucial to life on Earth and how those interactions are predestined by the atoms that make up the molecules.

  14. Quantum Interference of Molecules

    Indian Academy of Sciences (India)

    IAS Admin

    GENERAL │ ARTICLE. Quantum Interference of Molecules. Probing the Wave Nature of Matter. Anu Venugopalan. Keywords. Matter waves, wave-particle du- ality, electron interference, decoherence. Anu Venugopalan is on the faculty of the School of. Basic and Applied. Sciences, GGS. Indraprastha University,. Delhi.

  15. On quark molecules

    CERN Document Server

    Dolgov, A D; Okun, Lev Borisovich

    1974-01-01

    A nonrelativistic quark model with three triplets and an octet of coloured gluons is considered. The interaction energy is calculated for some quark molecules. It is shown that states of the type qqqq and qqqqq are bounded more tightly than qq and qqq, respectively. This may indicate an existence of exotic particles in the nature or, perhaps, that the model is invalid. (11 refs).

  16. Atoms, Molecules and Radiation

    Indian Academy of Sciences (India)

    IAS Admin

    A Refresher Course in Applications of Quantum Mechanics to 'Atoms, Molecules and Radiation' will be held at the Indian Academy of Sciences, Bangalore from December 8 to 20. 2014. The Course is primarily aimed at teachers teaching quantum mechanics and/ or atomic and molecular physics at the UG / PG level.

  17. Molecule of the Month

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 16; Issue 12. Molecule of the Month - Molecular-Chameleon: Solvatochromism at its Iridescent Best! Photon Rao. Volume 16 Issue 12 December 2011 pp 1303-1306. Fulltext. Click here to view fulltext PDF. Permanent link:

  18. Molecule of the Month

    Indian Academy of Sciences (India)

    attempting to adapt the success of organic chemistry in the study of organosilicon compounds. Nevertheless chemists persisted with a sense of doggedness to try and mimic organic molecules with non- carbon elements. The year 1981 marks a watershed in the efforts to prepare and stabilise multiply-bonded compounds of ...

  19. Atoms, Molecules and Radiation

    Indian Academy of Sciences (India)

    IAS Admin

    2015-11-10

    Nov 10, 2015 ... Module 3: Interaction of electromagnetic radiation with matter: Quantum theory of radiation, spontaneous, stimulated emission and absorption probabilities, electric dipole selection rules, Einstein A and B coefficients, Rabi coefficients, Thomson Scattering, Jaynes-Cummings Model. Module 4: Molecules ...

  20. Molecule of the Month

    Indian Academy of Sciences (India)

    ethanol, blue in isopropyl alcohol, green in acetone and greenish-yellow in anisole. The electronic absorption spectrum of a molecule often depends on the solvent used. The change in position (and, sometimes, intensity) of the UVNis band accompanying a change in the polarity of the medium is called solvatochromism.

  1. Excitons: Molecules in flatland

    Science.gov (United States)

    Yao, Wang

    2015-06-01

    Forming molecules from atoms is commonplace in dense atomic gases. But it now seems that some two-dimensional materials provide a suitable environment for creating complex molecular states from the hydrogen-like electron-hole pairs that form in semiconductors.

  2. Molecule of the Month

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 1; Issue 9. Molecule of the Month Adamantane - A Plastic Piece of Diamond. J Chandrasekhar. Feature Article Volume 1 Issue 9 September 1996 pp 66-71. Fulltext. Click here to view fulltext PDF. Permanent link:

  3. Single-Molecule Spectroscopy

    Indian Academy of Sciences (India)

    IAS Admin

    a heterogeneous medium the local environment of each molecule may be different. This gives rise to large vari- ations of those properties which depend on the medium. (e.g., local polarity or viscosity). For instance, in a bio- logical cell the local environment at the membrane may be drastically different from that in the ...

  4. Molecule of the Month

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 16; Issue 12. Molecule of the Month - Adamantane - A Plastic Piece of Diamond. J Chandrasekhar. Volume 16 Issue 12 December 2011 pp 1232-1237. Fulltext. Click here to view fulltext PDF. Permanent link:

  5. New Ro-Vibrational Kinetic Energy Operators using Polyspherical Coordinates for Polyatomic Molecules

    Science.gov (United States)

    Schwenke, David W.; Kwak, Dochan (Technical Monitor)

    2002-01-01

    We illustrate how one can easily derive kinetic energy operators for polyatomic molecules using polyspherical coordinates with very general choices for z-axis embeddings arid angles used to specify relative orientations of internal vectors. Computer algebra is not required.

  6. Wildlife value orientations

    DEFF Research Database (Denmark)

    Gamborg, Christian; Jensen, Frank Søndergaard

    2016-01-01

    This article examined value orientations toward wildlife among the adult general Danish public in relation to age, sex, past and present residence, education, and income, using a U.S. survey instrument on Wildlife Value Orientations (WVO). The study used an Internet-based questionnaire sent...... the general public’s WVO can be used to check against the orientation of other specific groups such as landowners and hunters. It can also prove useful for developing specific hunting and wildlife policies such as certification of wildlife managers....

  7. OMG: Open Molecule Generator

    Directory of Open Access Journals (Sweden)

    Peironcely Julio E

    2012-09-01

    Full Text Available Abstract Computer Assisted Structure Elucidation has been used for decades to discover the chemical structure of unknown compounds. In this work we introduce the first open source structure generator, Open Molecule Generator (OMG, which for a given elemental composition produces all non-isomorphic chemical structures that match that elemental composition. Furthermore, this structure generator can accept as additional input one or multiple non-overlapping prescribed substructures to drastically reduce the number of possible chemical structures. Being open source allows for customization and future extension of its functionality. OMG relies on a modified version of the Canonical Augmentation Path, which grows intermediate chemical structures by adding bonds and checks that at each step only unique molecules are produced. In order to benchmark the tool, we generated chemical structures for the elemental formulas and substructures of different metabolites and compared the results with a commercially available structure generator. The results obtained, i.e. the number of molecules generated, were identical for elemental compositions having only C, O and H. For elemental compositions containing C, O, H, N, P and S, OMG produces all the chemically valid molecules while the other generator produces more, yet chemically impossible, molecules. The chemical completeness of the OMG results comes at the expense of being slower than the commercial generator. In addition to being open source, OMG clearly showed the added value of constraining the solution space by using multiple prescribed substructures as input. We expect this structure generator to be useful in many fields, but to be especially of great importance for metabolomics, where identifying unknown metabolites is still a major bottleneck.

  8. WITHDRAWN: Reality orientation for dementia.

    Science.gov (United States)

    Spector, A; Orrell, M; Davies, S; Woods, B

    2007-07-18

    Reality Orientation (RO) was first described as a technique to improve the quality of life of confused elderly people, although its origins lie in an attempt to rehabilitate severely disturbed war veterans, not in geriatric work. It operates through the presentation of orientation information (eg time, place and person-related) which is thought to provide the person with a greater understanding of their surroundings, possibly resulting in an improved sense of control and self-esteem. There has been criticism of RO in clinical practice, with some fear that it has been applied in a mechanical fashion and has been insensitive to the needs of the individual. There is also a suggestion that constant relearning of material can actually contribute to mood and self-esteem problems. There is often little consistent application of psychological therapies in dementia services, so a systematic review of the available evidence is important in order to identify the effectiveness of the different therapies. Subsequently, guidelines for their use can be made on a sound evidence base. To assess the evidence of effectiveness for the use of Reality Orientation (RO) as a classroom-based therapy on elderly persons with dementia. Computerised databases were searched independently by 2 reviewers entering the terms 'Reality Orientation, dementia, control, trial or study'. Relevant web sites were searched and some hand searching was conducted by the reviewer. Specialists in the field were approached for undocumented material, and all publications found were searched for additional references. All randomized controlled trials (RCTs), and all controlled trials with some degree of concealment, blinding or control for bias (second order evidence) of Reality Orientation as an intervention for dementia were included. The criteria for inclusion/exclusion involved systematic assessment of the quality of study design and the risk of bias, using a standard data extraction form. A measure of

  9. Orientation statistics of non-spherical particles sedimenting in turbulence

    Science.gov (United States)

    Kramel, Stefan; Tierney, Lydia; Rees, Wyatt; Voth, Greg A.; Menon, Udayshankar; Roy, Anubhab; Koch, Donald L.

    2016-11-01

    We study the sedimentation of non-spherical particles in turbulence. The particle orientation is determined by a competition between inertial torques causing a preferential alignment and turbulence randomizing the orientation. The relative importance is quantified by a settling number SF defined as the ratio of the tumbling-rate from inertial torques and from turbulence. The experiments focus on the orientation statistics of particles formed from several slender arms, including fibers and particles with three arms in planar symmetry (triads), which allows us to study alignment of both fibers and disk-like particles. We measure the time-resolved 3D orientations of the particles along with the fluid velocity field around them in a vertical water tunnel. An active jet array with 40 individually controllable jets enables us to adjust the turbulence intensity and observe the transition from strongly aligned particles to randomized orientations as SF is decreased. Results are compared to simulations and theory based on slender body theory.

  10. Orientation dependence in the four-atom reaction of OH + HBr using the single-state oriented OH radical beam.

    Science.gov (United States)

    Tsai, Po-Yu; Che, Dock-Chil; Nakamura, Masaaki; Lin, King-Chuen; Kasai, Toshio

    2010-03-20

    The orientation dependence for the Br atom formation in the reaction of the oriented OH radicals with HBr molecules at 0.26 eV collision energy has been observed for the first time using the hexapole electric field, and we found that the reaction cross-section for O-end attack is more favorable than that for H-end attack by a factor of 3.4 +/- 2.3.

  11. Orientation of liquid crystalline materials by using carbon nanotubes

    Directory of Open Access Journals (Sweden)

    Kamanina N.V.

    2011-01-01

    Full Text Available The solution of some problems, where the initial black field is necessary for the regime of light transmission through the electrooptical organic nematic liquid crystal structures has been considered via a homeotropic alignment of liquid crystal molecules on the substrate covered by carbon nanotubes. The results of this investigation can be used to develop optical elements for displays with vertical orientations of nematic liquid crystal molecules (for example, for MVA-display technology.

  12. SERVICE ORIENTED ARCHITECTURE

    Directory of Open Access Journals (Sweden)

    Stanculea Liana

    2009-05-01

    Full Text Available Service-oriented architecture (SOA supply methods for systems development and integration where work interoperable services. A SOA suppose application functionality distribution in distinct units called services that communicate with each other. This ser

  13. Implementing Strategic Orientation

    Science.gov (United States)

    Fischer, Arthur K.; Brownback, Sarah

    2012-01-01

    An HRM case dealing with problems and issues of setting up orientation programs which align with corporate strategy. Discussion concerns how such a case can be used to exhibit the alignment between HRM and business strategy.

  14. Metric for three-dimensional alignment of molecules

    Science.gov (United States)

    Makhija, Varun; Ren, Xiaoming; Kumarappan, Vinod

    2012-03-01

    In an effort to clarify the three-dimensional alignment dynamics of polyatomic molecules, we propose a single measure for the degree of angular confinement of such molecules. The measure proposed for three-dimensional orientation is the angle of the single rotation that takes the molecule to the desired target orientation. Further, taking into account the D2 symmetry of a three-dimensionally aligned distribution, a symmetrized version of the measure is constructed that serves as a direct indicator of the degree of three-dimensional alignment of a distribution. The calculation of the rotational dynamics of iodobenzene under the influence of two cross-polarized laser pulses demonstrates the effectiveness of the proposed metric.

  15. Cultural Orientation and Interdisciplinarity

    DEFF Research Database (Denmark)

    Nielsen, Sofie Søndergaard

    2004-01-01

    I begin the article with an account of the background to the German debate on ‘Literaturwissenschaft als Kulturwissenschaft’, including the introduction of the concept of ’cultural orientation’ as a strategy for achieving interdisciplinarity. This is followed by a consideration of the discussion...... of the object of literary studies as a way of defining the disciplinarity or identity of literary studies. Finally I summarize some of the characteristics of culturally orientated literary studies....

  16. Antibody orientation on biosensor surfaces: a minireview.

    Science.gov (United States)

    Trilling, Anke K; Beekwilder, Jules; Zuilhof, Han

    2013-03-21

    Detection elements play a key role in analyte recognition in biosensors. Therefore, detection elements with high analyte specificity and binding strength are required. While antibodies (Abs) have been increasingly used as detection elements in biosensors, a key challenge remains - the immobilization on the biosensor surface. This minireview highlights recent approaches to immobilize and study Abs on surfaces. We first introduce Ab species used as detection elements, and discuss techniques recently used to elucidate Ab orientation by determination of layer thickness or surface topology. Then, several immobilization methods will be presented: non-covalent and covalent surface attachment, yielding oriented or random coupled Abs. Finally, protein modification methods applicable for oriented Ab immobilization are reviewed with an eye to future application.

  17. Atoms, molecules & elements

    CERN Document Server

    Graybill, George

    2007-01-01

    Young scientists will be thrilled to explore the invisible world of atoms, molecules and elements. Our resource provides ready-to-use information and activities for remedial students using simplified language and vocabulary. Students will label each part of the atom, learn what compounds are, and explore the patterns in the periodic table of elements to find calcium (Ca), chlorine (Cl), and helium (He) through hands-on activities.

  18. Photonic Molecule Lasers Revisited

    Science.gov (United States)

    Gagnon, Denis; Dumont, Joey; Déziel, Jean-Luc; Dubé, Louis J.

    2014-05-01

    Photonic molecules (PMs) formed by coupling two or more optical resonators are ideal candidates for the fabrication of integrated microlasers, photonic molecule lasers. Whereas most calculations on PM lasers have been based on cold-cavity (passive) modes, i.e. quasi-bound states, a recently formulated steady-state ab initio laser theory (SALT) offers the possibility to take into account the spectral properties of the underlying gain transition, its position and linewidth, as well as incorporating an arbitrary pump profile. We will combine two theoretical approaches to characterize the lasing properties of PM lasers: for two-dimensional systems, the generalized Lorenz-Mie theory will obtain the resonant modes of the coupled molecules in an active medium described by SALT. Not only is then the theoretical description more complete, the use of an active medium provides additional parameters to control, engineer and harness the lasing properties of PM lasers for ultra-low threshold and directional single-mode emission. We will extend our recent study and present new results for a number of promising geometries. The authors acknowledge financial support from NSERC (Canada) and the CERC in Photonic Innovations of Y. Messaddeq.

  19. Flake Orientation Effects On Physical and Mechanical Properties of Sweetgum Flakeboard

    Science.gov (United States)

    T.F. Shupe; Chung-Yun Hse; E.W. Price

    2001-01-01

    Research was initiated to determine the effect of flake orientation on the physical and mechanical properties offlakeboard. The panel fabrication techniques investigated were single-layer panels with random and oriented flake distribution, three-layer, five-layer, and seven-layer panels. Single-layer oriented panels had panel directional property ratios of 11.8 and 12....

  20. Random packing of colloids and granular matter

    NARCIS (Netherlands)

    Wouterse, A.

    2008-01-01

    This thesis deals with the random packing of colloids and granular matter. A random packing is a stable disordered collection of touching particles, without long-range positional and orientational order. Experimental random packings of particles with the same shape but made of different materials

  1. X-ray diffraction study of oriented gels of titin

    Energy Technology Data Exchange (ETDEWEB)

    Vazina, A.A. [Institute of Theoretical and Experimental Biophysics of RAS, Institutskaya st. 3, Pushchino, Moscow region 142290 (Russian Federation); Gorbunova, N.P. [Institute of Theoretical and Experimental Biophysics of RAS, Institutskaya st. 3, Pushchino, Moscow region 142290 (Russian Federation); Lanina, N.F. [Institute of Theoretical and Experimental Biophysics of RAS, Institutskaya st. 3, Pushchino, Moscow region 142290 (Russian Federation)]. E-mail: lanina@iteb.ru; Dolbnya, I.P. [DUBBLE-CRG/ESRF, B.P.220, F-38043 Grenoble (France); Bras, W. [DUBBLE-CRG/ESRF, B.P.220, F-38043 Grenoble (France); Snigireva, I. [ESRF, B.P.220, F-38043 Grenoble (France)

    2005-05-01

    This work is concerned with the X-ray diffraction study of oriented gels of titin. A topological zig-zag model of a giant fibrillar molecule of titin is proposed. The model suggests that a titin molecule consists of successively joined anisotropic domains, and the long axes of adjacent domains are connected at a nearly right angle relative to each other but are not necessarily inclined at equal angles relative to the fibril axis. The structural mechanism of the high elasticity of the titin molecule is discussed in terms of the physics of structural transitions in crystalline polymers.

  2. Optimized localization analysis for single-molecule tracking and super-resolution microscopy

    DEFF Research Database (Denmark)

    Mortensen, Kim; Churchman, L. S.; Spudich, J. A.

    2010-01-01

    We optimally localized isolated fluorescent beads and molecules imaged as diffraction-limited spots, determined the orientation of molecules and present reliable formulas for the precision of various localization methods. Both theory and experimental data showed that unweighted least-squares fitt...

  3. Orientation relationship between diamond and magnesiochromite inclusions

    Science.gov (United States)

    Alvaro, Matteo; Angel, Ross; Nimis, Paolo; Milani, Sula; Harris, Jeff; Nestola, Fabrizio

    2017-04-01

    partial orientation between inclusion and host. A (111) plane of each inclusion is sub-parallel to a {111} plane of their diamond host, but with random orientations of the magnesiochromite [100], [010] and [001] relative to the diamond. In one case, where a single inclusion comprised a magnesiochromite-olivine touching pair, the magnesiochromite was oriented as noted above and the olivine showed a random orientation. The implications of these observations for the mechanisms of diamond growth will be explored and the results will be compared and combined with previous work. This work was supported by ERC starting grant "INDIMEDEA" (307322) to F. Nestola and by the MIUR-SIR grant "MILE DEEp" (RBSI140351) to M. Alvaro. References Angel R. J. et al., J. Appl. Crystallogr. 48, 1330-1334 (2015). Wiggers de Vries D.F. et al., Contrib Mineral Petr 161, 565-579 (2011). Dobson D. P. et al., Nat. Geosci. 6, 575-578 (2013). Frank-Kamenetsky V.A. The nature of structural impurities and inclusions in minerals. Leningrad, Gos. Univ. (1964) Futergendler S.I. and Frank-Kamenetsky V.A. Zap Vsesoyuzn Mineral Obs 90, 230 (1961). Nestola F. et al., Int. Geol. Rev. 56(13), 1658-1667 (2014).

  4. Randomization tests

    CERN Document Server

    Edgington, Eugene

    2007-01-01

    Statistical Tests That Do Not Require Random Sampling Randomization Tests Numerical Examples Randomization Tests and Nonrandom Samples The Prevalence of Nonrandom Samples in Experiments The Irrelevance of Random Samples for the Typical Experiment Generalizing from Nonrandom Samples Intelligibility Respect for the Validity of Randomization Tests Versatility Practicality Precursors of Randomization Tests Other Applications of Permutation Tests Questions and Exercises Notes References Randomized Experiments Unique Benefits of Experiments Experimentation without Mani

  5. STM/STS analysis of molecular chains consisting of Mn{sub 6}Cr single molecule magnets and single molecules on highly ordered pyrolytic graphite (HOPG)

    Energy Technology Data Exchange (ETDEWEB)

    Gryzia, Aaron; Brechling, Armin; Hachmann, Wiebke; Sacher, Marc D.; Heinzmann, Ulrich [Molecular and Surface Physics, Bielefeld University (Germany); Heidemeier, Maik; Glaser, Thorsten [Anorganic Chemistry I, Bielefeld University (Germany)

    2008-07-01

    We report on the preparation and characterization of Mn{sub 6}Cr-Single Molecule Magnets on a HOPG(0001) surface. The Mn{sub 6}Cr-molecules show 1D molecular arrangements with many interesting features, such as the occurrence of discrete kink angles in the molecular chains of 30 deg., only two different molecular orientations, the orientation of the chains along the main crystal axis of HOPG and much larger molecule-molecule distances than expected from the van der Waals radii of the molecules. By STS we characterized Mn{sub 6}Cr, thus gaining information on the electronic levels of the molecule and the shift of the levels whether it is part of a chain or not. One of our goals is to obtain data about the exact orientation of the molecule in respect to the surface; thus we can make a statement for the physical interaction why the molecules are assembling in chains. First results of these measurements are presented.

  6. Towards a new orientation

    DEFF Research Database (Denmark)

    Froulund Jensen, Janet; Overgaard, Dorthe; Bestle, Morten H

    2017-01-01

    AIMS AND OBJECTIVES: To describe the patient experience of ICU recovery from a longitudinal perspective by analysing follow-up consultations at three time-points. BACKGROUND: After a stay in the intensive care unit, patients risk physical and psychological problems during recovery. Follow-up after...... narrative of recovery was 'toward a trajectory of new orientation'. This narrative contained the chronological narratives of being 'at death's door', 'still not out of the woods' and 'on the road to recovery'. The road to recovery was described as downhill, steady-state or progressive. New orientation...... was obtained in steady-state or progressive recovery. CONCLUSIONS: This study provides a contemporary understanding of the process of intensive care recovery. Recovery evolves through narratives of mortal danger, risk of relapse and moving forward towards a new orientation in life. RELEVANCE TO CLINICAL...

  7. Future-Oriented LCA

    DEFF Research Database (Denmark)

    Olsen, Stig Irving; Borup, Mads; Andersen, Per Dannemand

    2017-01-01

    LCA is often applied for decision-making that concerns actions reaching near or far into the future. However, traditional life cycle assessment methodology must be adjusted for the prospective and change-oriented purposes, but no standardised way of doing this has emerged yet. In this chapter some...... challenges are described and some learnings are derived. Many of the future-oriented LCAs published so far perform relatively short-term prediction of simple comparisons. But for more long-term time horizons foresight methods can be of help. Scenarios established by qualified experts about future...... technological and economic developments are indispensable in future technology assessments. The uncertainties in future-oriented LCAs are to a large extent qualitative and it is important to emphasise that LCA of future technologies will provide a set of answers and not ‘the’ answer....

  8. Rayleigh scattering of Moessbauer radiation in hyaluronate oriented fibres

    Energy Technology Data Exchange (ETDEWEB)

    Albanese, G.; Cavatorta, F.; Deriu, A. [Parma Univ. (Italy). Dip. di Fisica]|[Istituto Nazionale di Fisica della Materia, Parma (Italy); Rupprecht, A. [Stockholm Univ. (Sweden). Dep. of Physical Chemistry

    1996-02-01

    The Rayleigh scattering of Moessbauer radiation has been measured on highly oriented fibres of Na-hyaluronate at different hydration levels. The elastic- and-inelastic-scattering intensities, measured as a function of the scattering vector Q, have provided information on the dynamic structuring of the water molecules to the polysaccharidic chains.

  9. A linear polymerized photopolymer orienting a nematic liquid crystal ...

    Indian Academy of Sciences (India)

    formalism. OZHAN KAYACAN. Department of Physics, Faculty of Arts and Sciences, Celal Bayar University, ..... To this end, we used De Jeu's expression for ∆n = n − n⊥ [15], which is used elsewhere [5]; this ... of the orientational degrees of freedom of the liquid crystal molecules to the entropy of the system. Therefore, the ...

  10. Age and Value Orientations

    Directory of Open Access Journals (Sweden)

    Asya Kh. Kukubayeva

    2013-01-01

    Full Text Available The present article deals with value orientations and their role in men’s lives, particularly, in young people’s lives. This notion was introduced by the American theoretical sociologist T. Parsons, one of the creators of modern theoretical sociology. The scientist made an attempt to construct the structural and analytical theory of social action, combining personal interests (needs and aims and situation, it takes place in. The issue of value orientations remains acute for psychology. Herein we have considered several most important works, relating to the considered issue. Age aspects of young people’s value orientations are of peculiar interest to us. When analyzing this phenomenon, one should take into consideration the psychological formations, inhere for a certain age. In fact every age has its unique structure, which may change when passing from one development stage to another. Basing on this fact, we’ve considered the values, depending on the age features of the youth, relying upon the works of the scientists, working with different categories of the youth, such as: teenagers, students, children of different nationalities. It is not surprising that most scientists have come to the conclusion that the chief role in value orientation belongs to a family, originates in relations with parents and teachers. The positive reinforcement to the future develops throughout life in accordance with a lifestyle of a family, society and political situation in a state.Life orientations as a type of value orientations show different types of young people’s preferences. Value structure of its consciousness has its own specific character, depending on the age peculiarities. The dynamics of the transition from one age to another is accompanied with the reappraisal of values, eventually, influencing the life strategy of the future generation

  11. Energetics and electronic structure of nanoscale rotors consisting of triptycene and hydrocarbon molecules

    Science.gov (United States)

    Akiba, Miki; Okada, Susumu

    2017-10-01

    Using the density functional theory with generalized gradient approximation, we studied the energetics and electronic structures of nanoscale rotors consisting of tryptycene and hydrocarbon molecules with respect to their mutual orientation. Energy barriers for the rotational motion of an attached hydrocarbon molecule range from 40 to 200 meV, depending on the attached molecular species and arrangements. The electronic structure of the nanoscale molecular rotors does not depend on the rotational angle of the attached hydrocarbon molecules.

  12. Single-Molecule Stochastic Resonance

    Directory of Open Access Journals (Sweden)

    K. Hayashi

    2012-08-01

    Full Text Available Stochastic resonance (SR is a well-known phenomenon in dynamical systems. It consists of the amplification and optimization of the response of a system assisted by stochastic (random or probabilistic noise. Here we carry out the first experimental study of SR in single DNA hairpins which exhibit cooperatively transitions from folded to unfolded configurations under the action of an oscillating mechanical force applied with optical tweezers. By varying the frequency of the force oscillation, we investigate the folding and unfolding kinetics of DNA hairpins in a periodically driven bistable free-energy potential. We measure several SR quantifiers under varied conditions of the experimental setup such as trap stiffness and length of the molecular handles used for single-molecule manipulation. We find that a good quantifier of the SR is the signal-to-noise ratio (SNR of the spectral density of measured fluctuations in molecular extension of the DNA hairpins. The frequency dependence of the SNR exhibits a peak at a frequency value given by the resonance-matching condition. Finally, we carry out experiments on short hairpins that show how SR might be useful for enhancing the detection of conformational molecular transitions of low SNR.

  13. Measuring market orientation: further evidence on Narver and Slater's three-component scale.

    Science.gov (United States)

    Chakrabarty, Subhra; Rogé, Joseph N

    2003-12-01

    A mail survey of a national random sample of 2,000 marketing managers was conducted. The data provided by 222 respondents were analyzed to assess the dimensionality of Narver and Slater's 15-item measure of market orientation. A confirmatory factor analysis, using LISREL 8.53, provided support for each of the separate dimensions of customer orientation, competitor orientation, and interfunctional coordination. However, a combined 3-factor model of market orientation was not supported. Directions for research are suggested.

  14. Extending single-molecule microscopy using optical Fourier processing.

    Science.gov (United States)

    Backer, Adam S; Moerner, W E

    2014-07-17

    This article surveys the recent application of optical Fourier processing to the long-established but still expanding field of single-molecule imaging and microscopy. A variety of single-molecule studies can benefit from the additional image information that can be obtained by modulating the Fourier, or pupil, plane of a widefield microscope. After briefly reviewing several current applications, we present a comprehensive and computationally efficient theoretical model for simulating single-molecule fluorescence as it propagates through an imaging system. Furthermore, we describe how phase/amplitude-modulating optics inserted in the imaging pathway may be modeled, especially at the Fourier plane. Finally, we discuss selected recent applications of Fourier processing methods to measure the orientation, depth, and rotational mobility of single fluorescent molecules.

  15. Extending Single-Molecule Microscopy Using Optical Fourier Processing

    Science.gov (United States)

    2015-01-01

    This article surveys the recent application of optical Fourier processing to the long-established but still expanding field of single-molecule imaging and microscopy. A variety of single-molecule studies can benefit from the additional image information that can be obtained by modulating the Fourier, or pupil, plane of a widefield microscope. After briefly reviewing several current applications, we present a comprehensive and computationally efficient theoretical model for simulating single-molecule fluorescence as it propagates through an imaging system. Furthermore, we describe how phase/amplitude-modulating optics inserted in the imaging pathway may be modeled, especially at the Fourier plane. Finally, we discuss selected recent applications of Fourier processing methods to measure the orientation, depth, and rotational mobility of single fluorescent molecules. PMID:24745862

  16. Passing Current through Touching Molecules

    DEFF Research Database (Denmark)

    Schull, G.; Frederiksen, Thomas; Brandbyge, Mads

    2009-01-01

    The charge flow from a single C-60 molecule to another one has been probed. The conformation and electronic states of both molecules on the contacting electrodes have been characterized using a cryogenic scanning tunneling microscope. While the contact conductance of a single molecule between two...

  17. WHAT ARE THE MOLECULES DOING?

    African Journals Online (AJOL)

    Temechegn

    The color of substances results from the absorption of selected components of white light by the collection of molecules constituting a visible sample of the substance. The molecules are however not coloured. Indicator molecules change their structure and composition when exposed to acids or bases, because they react ...

  18. Nitric Oxide: The Wonder Molecule

    Indian Academy of Sciences (India)

    (heart attack) and hypertension. Nitric oxide (NO), an inorganic molecule formed by vascular endothelial cells is now thought to be a messenger molecule that is believed to playa crucial role in various biological processes of both physiological and pathological importance. Nitric oxide is a simple heterodiatomic molecule ...

  19. Spatial Orientation in Flight

    Science.gov (United States)

    1993-11-01

    34 antigravity " muscles such as hip and knee extensors. These vestibular reflexes, of course, help keep the body upright with respect to the direction of...Vestibular-visual conflict need not even be in relation to motion but can be in relation to static orientation: some people become sick in " antigravity

  20. Social Workers’ Orientation Toward

    NARCIS (Netherlands)

    Deirdre Beneken genaamd Kolmer; René Schalk; Renske J.M. van der Zwet

    2014-01-01

    Objectives: This study assesses social workers’ orientation toward the evidence-based practice (EBP) process and explores which specific variables (e.g. age) are associated. Methods: Data were collected from 341 Dutch social workers through an online survey which included a Dutch translation of the

  1. Sexual Orientations in Perspective.

    Science.gov (United States)

    Garnets, Linda D.

    2002-01-01

    Discuess how sexuality is determined by multiple influences, including sociocutural factors. Presents a new paradigm that analyzes categories of human sexual behavior. A model of sexual orientation is presented that is based on multiplicity and examines overlapping identities and statuses of culture, age, race, ethnicity, class, and disability.…

  2. Managing Entrepreneurial Orientation

    NARCIS (Netherlands)

    S. van Doorn (Sebastiaan)

    2012-01-01

    textabstractIn this dissertation, we evaluate the roles senior management teams and individual middle managers play in realizing the performance benefits of entrepreneurial orientations. We investigate the role of senior management teams by focusing on a sample of 9.000 firms in the Netherlands. The

  3. Component-oriented programming

    NARCIS (Netherlands)

    Bosch, J; Szyperski, C; Weck, W; Buschmann, F; Buchmann, AP; Cilia, MA

    2003-01-01

    This report covers the eighth Workshop on Component-Oriented Programming (WCOP). WCOP has been affiliated with ECOOP since its inception in 1996. The report summarizes the contributions made by authors of accepted position papers as well as those made by all attendees of the workshop sessions.

  4. Suppression of twins in b-oriented MFI molecular sieve films under microwave irradiation.

    Science.gov (United States)

    Liu, Yi; Li, Yanshuo; Cai, Rui; Yang, Weishen

    2012-07-11

    Twin growth in the synthesis of b-oriented MFI films is successfully suppressed by applying microwave irradiation on a b-oriented MFI seed layer, relying on the nucleation-related bottleneck effect. Electrochemical oxidation experiments demonstrated the importance of twin suppression in enhancing the diffusion of guest molecules in MFI films.

  5. Lanthanide single molecule magnets

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Jinkui; Zhang, Peng [Chinese Academy of Sciences, Changchun (China). Changchun Inst. of Applied Chemistry

    2015-10-01

    This book begins by providing basic information on single-molecule magnets (SMMs), covering the magnetism of lanthanide, the characterization and relaxation dynamics of SMMs and advanced means of studying lanthanide SMMs. It then systematically introduces lanthanide SMMs ranging from mononuclear and dinuclear to polynuclear complexes, classifying them and highlighting those SMMs with high barrier and blocking temperatures - an approach that provides some very valuable indicators for the structural features needed to optimize the contribution of an Ising type spin to a molecular magnet. The final chapter presents some of the newest developments in the lanthanide SMM field, such as the design of multifunctional and stimuli-responsive magnetic materials as well as the anchoring and organization of the SMMs on surfaces. In addition, the crystal structure and magnetic data are clearly presented with a wealth of illustrations in each chapter, helping newcomers and experts alike to better grasp ongoing trends and explore new directions.

  6. Lanthanide single molecule magnets

    CERN Document Server

    Tang, Jinkui

    2015-01-01

    This book begins by providing basic information on single-molecule magnets (SMMs), covering the magnetism of lanthanide, the characterization and relaxation dynamics of SMMs, and advanced means of studying lanthanide SMMs. It then systematically introduces lanthanide SMMs ranging from mononuclear and dinuclear to polynuclear complexes, classifying them and highlighting those SMMs with high barrier and blocking temperatures – an approach that provides some very valuable indicators for the structural features needed to optimize the contribution of an Ising type spin to a molecular magnet. The final chapter presents some of the newest developments in the lanthanide SMM field, such as the design of multifunctional and stimuli-responsive magnetic materials as well as the anchoring and organization of the SMMs on surfaces. In addition, the crystal structure and magnetic data are clearly presented with a wealth of illustrations in each chapter, helping newcomers and experts alike to better grasp ongoing trends and...

  7. [Adhesion molecules and cancer].

    Science.gov (United States)

    Pierres, A; Benoliel, A M; Bongrand, P

    1999-12-01

    This review was aimed at summarizing recent advances in the understanding of cell adhesion in order to discuss the possible relevance of new knowledge to the exploration of cancer patients and elaboration of therapeutic strategies. During the last 10 years, many adhesion molecules were identified, thus allowing to determine their tissue distribution and functional regulation. The concept of adhesiveness was refined. It is now well known that adhesive rate (i.e., the minimal contact time required for bond formation) and binding strength (i.e., the minimal force required to detach bound cells) are distinct parameters. They may be regulated independently, and influence the cell behavior in different ways. It is now possible to achieve accurate control of tumor cell adhesiveness, either by inhibiting an adhesive mechanism (through monoclonal antibodies, competitive ligands, or inhibition of receptor expression with antisense strategy or gene knock-out) or by promoting a binding mechanism (with receptor transfection or pro-inflammatory stimulation). Recent progress opens new possibilities for diagnosis and treatment. First, the interpretation of experimental data may be improved. Cell adhesive behavior is not entirely accounted for by the density of membrane adhesion receptors. Indeed, adhesion is influenced by receptor connection to the cytoskeleton and structure of the cell coat. An adhesion receptor may be anti-metastatic through an increase in tumor cohesion and cell differentiation, or pro-metastatic, through facilitation of cell migration towards a target tissue. New therapeutic strategies may include anti-adhesive procedure aimed at preventing metastasis formation. The potential importance of a better control of inflammatory processes is also emphasized in view of the influence of these processes on the expression of adhesion molecules.

  8. Single molecule electronics and devices.

    Science.gov (United States)

    Tsutsui, Makusu; Taniguchi, Masateru

    2012-01-01

    The manufacture of integrated circuits with single-molecule building blocks is a goal of molecular electronics. While research in the past has been limited to bulk experiments on self-assembled monolayers, advances in technology have now enabled us to fabricate single-molecule junctions. This has led to significant progress in understanding electron transport in molecular systems at the single-molecule level and the concomitant emergence of new device concepts. Here, we review recent developments in this field. We summarize the methods currently used to form metal-molecule-metal structures and some single-molecule techniques essential for characterizing molecular junctions such as inelastic electron tunnelling spectroscopy. We then highlight several important achievements, including demonstration of single-molecule diodes, transistors, and switches that make use of electrical, photo, and mechanical stimulation to control the electron transport. We also discuss intriguing issues to be addressed further in the future such as heat and thermoelectric transport in an individual molecule.

  9. Goal Orientation Dan Subjective Well Being Pada Lansia

    OpenAIRE

    Desiningrum, Dinie Ratri

    2016-01-01

    This study aimed to examine the relationship between goal orientation and subjective well-being in the elderly, which includes psychological well-being, emotional well-being and social well-being. The research subjects consisted of 90 elderly from the elderly group Adi Yuswo and Wulandaru Semarang obtained through simple random sampling. The data were obtained using a measuring instrument goal orientation (18 items, α = .87), psychological well-being (33 items, α = .92), social well-being (33...

  10. Single-Molecule Interfacial Electron Transfer

    Energy Technology Data Exchange (ETDEWEB)

    Ho, Wilson [University of California - Irvine

    2018-02-03

    Interfacial electron transfer (ET) plays an important role in many chemical and biological processes. Specifically, interfacial ET in TiO2-based systems is important to solar energy technology, catalysis, and environmental remediation technology. However, the microscopic mechanism of interfacial ET is not well understood with regard to atomic surface structure, molecular structure, bonding, orientation, and motion. In this project, we used two complementary methodologies; single-molecule fluorescence spectroscopy, and scanning-tunneling microscopy and spectroscopy (STM and STS) to address this scientific need. The goal of this project was to integrate these techniques and measure the molecular dependence of ET between adsorbed molecules and TiO2 semiconductor surfaces and the ET induced reactions such as the splitting of water. The scanning probe techniques, STM and STS, are capable of providing the highest spatial resolution but not easily time-resolved data. Single-molecule fluorescence spectroscopy is capable of good time resolution but requires further development to match the spatial resolution of the STM. The integrated approach involving Peter Lu at Bowling Green State University (BGSU) and Wilson Ho at the University of California, Irvine (UC Irvine) produced methods for time and spatially resolved chemical imaging of interfacial electron transfer dynamics and photocatalytic reactions. An integral aspect of the joint research was a significant exchange of graduate students to work at the two institutions. This project bridged complementary approaches to investigate a set of common problems by working with the same molecules on a variety of solid surfaces, but using appropriate techniques to probe under ambient (BGSU) and ultrahigh vacuum (UCI) conditions. The molecular level understanding of the fundamental interfacial electron transfer processes obtained in this joint project will be important for developing efficient light harvesting, solar energy

  11. Fabricación de compuesto de matriz epoxi reforzado con fibras largas de henequén orientadas aleatoriamente//Fabrication of a composite with epoxy matrix and henequen fibers as reinforcement long and with random orientation

    Directory of Open Access Journals (Sweden)

    Angel A. Rodríguez Soto

    2015-05-01

    Full Text Available Se obtuvo el procedimiento para la fabricación de un material compuesto con matriz de epoxi reforzado con fibras de henequén largas orientadas aleatoriamente. Fueron diseñados y elaborados seis moldes de tipo caja para la fabricación por el método de prensado en frío. Se produjeron 37 placas con 0, 6, 9, 12, 16, 22, 26 y 28 % de fibras en relación másica. La inclusión de los refuerzos fue manual y los materiales fabricados se sometieron a un proceso de cura a 70 ºC por 24 horas. Los especímenes obtenidos presentaron buena calidad estando libres de defectos y asegurando la distribución correcta de las fibras. El método de fabricación es adecuado para placas con pequeñas y grandes cantidades de fibra.Palabras claves: plásticos reforzados con fibras (PRF, fibras vegetales, compuesto de matriz termoestable, moldeo por compresión en frío.______________________________________________________________________________AbstractIs presented a procedure for the fabrication of the composite material with epoxy as matrix reinforced with henequen fibers, long and random. Was designed and fabricated six molds of box type for the manufacture of the plates using cold pressing procedure. Was make 37 plates with 0, 6, 9, 12, 16, 22, 26 and 28 % of fiber´s inclusions in mass relation. The inclusion of the reinforcements was making manually and the obtained materials was submitted to a process of cure bellow 70ºC during 24 hours. The obtained specimens showed a good quality being free of defects and guarantee the correct distribution of the fibers. The fabrication method is de adequate for plates with small and large quantities of fiber.Key words: fiber reinforced plastics (FRP, natural fibers, composite with thermoset matrix, cold compression molded.

  12. A Brief Introduction to Single-Molecule Fluorescence Methods.

    Science.gov (United States)

    van den Wildenberg, Siet M J L; Prevo, Bram; Peterman, Erwin J G

    2018-01-01

    One of the more popular single-molecule approaches in biological science is single-molecule fluorescence microscopy, which will be the subject of the following section of this volume. Fluorescence methods provide the sensitivity required to study biology on the single-molecule level, but they also allow access to useful measurable parameters on time and length scales relevant for the biomolecular world. Before several detailed experimental approaches will be addressed, we will first give a general overview of single-molecule fluorescence microscopy. We start with discussing the phenomenon of fluorescence in general and the history of single-molecule fluorescence microscopy. Next, we will review fluorescent probes in more detail and the equipment required to visualize them on the single-molecule level. We will end with a description of parameters measurable with such approaches, ranging from protein counting and tracking, single-molecule localization super-resolution microscopy, to distance measurements with Förster Resonance Energy Transfer and orientation measurements with fluorescence polarization.

  13. Random sequential adsorption of cubes.

    Science.gov (United States)

    Cieśla, Michał; Kubala, Piotr

    2018-01-14

    Random packings built of cubes are studied numerically using a random sequential adsorption algorithm. To compare the obtained results with previous reports, three different models of cube orientation sampling were used. Also, three different cube-cube intersection algorithms were tested to find the most efficient one. The study focuses on the mean saturated packing fraction as well as kinetics of packing growth. Microstructural properties of packings were analyzed using density autocorrelation function.

  14. Enhanced Biosensor Platforms for Detecting the Atherosclerotic Biomarker VCAM1 Based on Bioconjugation with Uniformly Oriented VCAM1-Targeting Nanobodies

    Directory of Open Access Journals (Sweden)

    Duy Tien Ta

    2016-07-01

    Full Text Available Surface bioconjugation of biomolecules has gained enormous attention for developing advanced biomaterials including biosensors. While conventional immobilization (by physisorption or covalent couplings using the functional groups of the endogenous amino acids usually results in surfaces with low activity, reproducibility and reusability, the application of methods that allow for a covalent and uniformly oriented coupling can circumvent these limitations. In this study, the nanobody targeting Vascular Cell Adhesion Molecule-1 (NbVCAM1, an atherosclerotic biomarker, is engineered with a C-terminal alkyne function via Expressed Protein Ligation (EPL. Conjugation of this nanobody to azidified silicon wafers and Biacore™ C1 sensor chips is achieved via Copper(I-catalyzed azide-alkyne cycloaddition (CuAAC “click” chemistry to detect VCAM1 binding via ellipsometry and surface plasmon resonance (SPR, respectively. The resulting surfaces, covered with uniformly oriented nanobodies, clearly show an increased antigen binding affinity, sensitivity, detection limit, quantitation limit and reusability as compared to surfaces prepared by random conjugation. These findings demonstrate the added value of a combined EPL and CuAAC approach as it results in strong control over the surface orientation of the nanobodies and an improved detecting power of their targets—a must for the development of advanced miniaturized, multi-biomarker biosensor platforms.

  15. Flight calls and orientation

    DEFF Research Database (Denmark)

    Larsen, Ole Næsbye; Andersen, Bent Bach; Kropp, Wibke

    2008-01-01

    flight calls was simulated by sequential computer controlled activation of five loudspeakers placed in a linear array perpendicular to the bird's migration course. The bird responded to this stimulation by changing its migratory course in the direction of that of the ‘flying conspecifics' but after about...... 30 minutes it drifted back to its original migration course. The results suggest that songbirds migrating alone at night can use the flight calls from conspecifics as additional cues for orientation and that they may compare this information with other cues to decide what course to keep.......  In a pilot experiment a European Robin, Erithacus rubecula, expressing migratory restlessness with a stable orientation, was video filmed in the dark with an infrared camera and its directional migratory activity was recorded. The flight overhead of migrating conspecifics uttering nocturnal...

  16. Value oriented strategic marketing

    Directory of Open Access Journals (Sweden)

    Milisavljević Momčilo

    2013-01-01

    Full Text Available Changes in today's business environment require companies to orient to strategic marketing. The company accepting strategic marketing has a proactive approach and focus on continuous review and reappraisal of existing and seeking new strategic business areas. Difficulties in achieving target profit and growth require turning marketing from the dominant viewpoint of the tangible product to creating superior value and developing relationships with customers. Value orientation implies gaining competitive advantage through continuous research and understanding of what value represents to the consumers and discovering new ways to meet their required values. Strategic marketing investment requires that the investment in the creation of values should be regularly reviewed in order to ensure a focus on customers with high profit potential and environmental value. This increases customer satisfaction and retention and long-term return on investment of companies.

  17. Electron-excited molecule interactions

    Energy Technology Data Exchange (ETDEWEB)

    Christophorou, L.G. (Oak Ridge National Lab., TN (USA) Tennessee Univ., Knoxville, TN (USA). Dept. of Physics)

    1991-01-01

    In this paper the limited but significant knowledge to date on electron scattering from vibrationally/rotationally excited molecules and electron scattering from and electron impact ionization of electronically excited molecules is briefly summarized and discussed. The profound effects of the internal energy content of a molecule on its electron attachment properties are highlighted focusing in particular on electron attachment to vibrationally/rotationally and to electronically excited molecules. The limited knowledge to date on electron-excited molecule interactions clearly shows that the cross sections for certain electron-molecule collision processes can be very different from those involving ground state molecules. For example, optically enhanced electron attachment studies have shown that electron attachment to electronically excited molecules can occur with cross sections 10{sup 6} to 10{sup 7} times larger compared to ground state molecules. The study of electron-excited molecule interactions offers many experimental and theoretical challenges and opportunities and is both of fundamental and technological significance. 54 refs., 15 figs.

  18. Aspect-Oriented Programming

    Science.gov (United States)

    Elrad, Tzilla (Editor); Filman, Robert E. (Editor); Bader, Atef (Editor)

    2001-01-01

    Computer science has experienced an evolution in programming languages and systems from the crude assembly and machine codes of the earliest computers through concepts such as formula translation, procedural programming, structured programming, functional programming, logic programming, and programming with abstract data types. Each of these steps in programming technology has advanced our ability to achieve clear separation of concerns at the source code level. Currently, the dominant programming paradigm is object-oriented programming - the idea that one builds a software system by decomposing a problem into objects and then writing the code of those objects. Such objects abstract together behavior and data into a single conceptual and physical entity. Object-orientation is reflected in the entire spectrum of current software development methodologies and tools - we have OO methodologies, analysis and design tools, and OO programming languages. Writing complex applications such as graphical user interfaces, operating systems, and distributed applications while maintaining comprehensible source code has been made possible with OOP. Success at developing simpler systems leads to aspirations for greater complexity. Object orientation is a clever idea, but has certain limitations. We are now seeing that many requirements do not decompose neatly into behavior centered on a single locus. Object technology has difficulty localizing concerns invoking global constraints and pandemic behaviors, appropriately segregating concerns, and applying domain-specific knowledge. Post-object programming (POP) mechanisms that look to increase the expressiveness of the OO paradigm are a fertile arena for current research. Examples of POP technologies include domain-specific languages, generative programming, generic programming, constraint languages, reflection and metaprogramming, feature-oriented development, views/viewpoints, and asynchronous message brokering. (Czarneclu and

  19. Oriented Fiber Filter Media

    OpenAIRE

    R. Bharadwaj; A. Patel, S. Chokdeepanich, Ph.D.; G.G. Chase, Ph.D.

    2008-01-01

    Coalescing filters are widely used throughout industry and improved performance will reduce droplet emissions and operating costs. Experimental observations show orientation of micro fibers in filter media effect the permeability and the separation efficiency of the filter media. In this work two methods are used to align the fibers to alter the filter structure. The results show that axially aligned fiber media improve quality factor on the order of 20% and cutting media on an angle from a t...

  20. Club d'orientation

    CERN Multimedia

    Club d'orientation

    2014-01-01

    Courses d’orientation ce printemps Le Club d’orientation du CERN vous invite à venir découvrir la course d’orientation et vous propose, en partenariat avec d’autres clubs de la région, une dizaine de courses populaires. Celles-ci ont lieu les samedis après-midi, elles sont ouvertes à tous, quel que soit le niveau, du débutant au sportif confirmé, en famille ou en individuel, en promenade ou en course. Si vous êtes débutant vous pouvez profiter d’une petite initiation offerte par l’organisateur avant de vous lancer sur un parcours. Divers types de parcours sont à votre choix lors de chaque épreuve: facile court (2-3 km), facile moyen (3-5 km), technique court (3-4 km), technique moyen (4-5 km) et technique long (5-7 km). Les dates à retenir sont les suivantes pour la coupe genevoise de printemps: Samedi 22 mars: Apples (...

  1. Single molecule tracking

    Science.gov (United States)

    Shera, E. Brooks

    1988-01-01

    A detection system is provided for identifying individual particles or molecules having characteristic emission in a flow train of the particles in a flow cell. A position sensitive sensor is located adjacent the flow cell in a position effective to detect the emissions from the particles within the flow cell and to assign spatial and temporal coordinates for the detected emissions. A computer is then enabled to predict spatial and temporal coordinates for the particle in the flow train as a function of a first detected emission. Comparison hardware or software then compares subsequent detected spatial and temporal coordinates with the predicted spatial and temporal coordinates to determine whether subsequently detected emissions originate from a particle in the train of particles. In one embodiment, the particles include fluorescent dyes which are excited to fluoresce a spectrum characteristic of the particular particle. Photones are emitted adjacent at least one microchannel plate sensor to enable spatial and temporal coordinates to be assigned. The effect of comparing detected coordinates with predicted coordinates is to define a moving sample volume which effectively precludes the effects of background emissions.

  2. Organic Molecules in Meteorites

    Science.gov (United States)

    Martins, Zita

    2015-08-01

    Carbonaceous meteorites are primitive samples from the asteroid belt, containing 3-5wt% organic carbon. The exogenous delivery of organic matter by carbonaceous meteorites may have contributed to the organic inventory of the early Earth. The majority (>70%) of the meteoritic organic material consist of insoluble organic matter (IOM) [1]. The remaining meteoritic organic material (Haber-Bosch type gas-grain reactions after the meteorite parent body cooled to lower temperatures [13, 14].The analysis of the abundances and distribution of the organic molecules present in meteorites helps to determine the physical and chemical conditions of the early solar system, and the prebiotic organic compounds available on the early Earth.[1] Cody and Alexander (2005) GCA 69, 1085. [2] Cronin and Chang (1993) in: The Chemistry of Life’s Origin. pp. 209-258. [3] Martins and Sephton (2009) in: Amino acids, peptides and proteins in organic chemistry. pp. 1-42. [4] Martins (2011) Elements 7, 35. [5] Botta et al. (2007) MAPS 42, 81. [6] Martins et al. (2015) MAPS, in press. [7] Cooper and Cronin (1995) GCA 59, 1003. [8] Glavin et al. (2006) MAPS. 41, 889. [9] Glavin et al. (2011) MAPS 45, 1948. [10] Elsila et al. (2005) GCA 5, 1349. [11] Glavin and Dworkin (2009) PNAS 106, 5487. [12] Pizzarello et al. (2003) GCA 67, 1589. [13] Chan et al. (2012) MAPS. 47, 1502. [14] Burton et al. (2011) MAPS 46, 1703.

  3. Dielectric relaxation phenomena of rigid polar liquid molecules ...

    Indian Academy of Sciences (India)

    trichloroacetate (j) in benzene, n-hexane and n-heptane (i) under 4.2, 9.8 and 24.6 GHz electric fields at 30ÆC are studied to .... τ's in GHz electric field for the rotation of different flexible polar groups attached to the parent molecule .... lar orientational polarization is, however, accomplished by introducing χij's because ε∞ij.

  4. Reality orientation for dementia.

    Science.gov (United States)

    Spector, A; Orrell, M; Davies, S; Woods, B

    2000-01-01

    Reality Orientation (RO) was first described as a technique to improve the quality of life of confused elderly people, although its origins lie in an attempt to rehabilitate severely disturbed war veterans, not in geriatric work. It operates through the presentation of orientation information (eg time, place and person-related) which is thought to provide the person with a greater understanding of their surroundings, possibly resulting in an improved sense of control and self-esteem. There has been criticism of RO in clinical practice, with some fear that it has been applied in a mechanical fashion and has been insensitive to the needs of the individual. There is also a suggestion that constant relearning of material can actually contribute to mood and self-esteem problems. There is often little consistent application of psychological therapies in dementia services, so a systematic review of the available evidence is important in order to identify the effectiveness of the different therapies. Subsequently, guidelines for their use can be made on a sound evidence base. To assess the evidence of effectiveness for the use of Reality Orientation (RO) as a classroom-based therapy on elderly persons with dementia. Computerised databases were searched independently by 2 reviewers entering the terms 'Reality Orientation, dementia, control, trial or study'. Relevant websites were searched and some handsearching was conducted by the reviewer. Specialists in the field were approached for undocumented material, and all publications found were searched for additional references. All randomised controlled trials (RCTs), and all controlled trials with some degree of concealment, blinding or control for bias (second order evidence) of Reality Orientation as an intervention for dementia were included. The criteria for inclusion/exclusion involved systematic assessment of the quality of study design and the risk of bias, using a standard data extraction form. A measure of cognitive

  5. Theoretical Investigations Regarding Single Molecules

    DEFF Research Database (Denmark)

    Pedersen, Kim Georg Lind

    Neoclassical Valence Bond Theory, Quantum Transport, Quantum Interference, Kondo Effect, and Electron Pumping. Trap a single organic molecule between two electrodes and apply a bias voltage across this "molecular junction". When electrons pass through the molecule, the different electron paths can...... interfere destructively or constructively. Destructive interference effects in electron transport could potentially improve thermo-electrics, organic logic circuits and energy harvesting. We have investigated destructive interference in off-resonant transport through organic molecules, and have found a set...

  6. Molecules Best Paper Award 2012

    Directory of Open Access Journals (Sweden)

    Derek J. McPhee

    2012-02-01

    Full Text Available Molecules starts to institute the “Best Paper” award to recognize these outstanding papers in the area of natural products, medicinal chemistry and molecular diversity published in Molecules. We are pleased to announce the first “Molecules Best Paper Award” for 2012. Nominations were selected by the editor-in-chief and selected editorial board members from all the papers published in 2008. [...

  7. Molecules Best Paper Award 2013

    Directory of Open Access Journals (Sweden)

    Derek J. McPhee

    2013-02-01

    Full Text Available Molecules has started to institute a "Best Paper" award to recognize the most outstanding papers in the area of natural products, medicinal chemistry and molecular diversity published in Molecules. We are pleased to announce the second "Molecules Best Paper Award" for 2013. Candidates were chosen by the Editor-in-Chief and selected editorial board members from among all the papers published in 2009.

  8. Molecules Best Paper Award 2014

    Directory of Open Access Journals (Sweden)

    Derek J. McPhee

    2014-01-01

    Full Text Available Molecules instituted some years ago a “Best Paper” award to recognize the most outstanding papers in the area of natural products, medicinal chemistry and molecular diversity published each year in Molecules. We are pleased to announce the third “Molecules Best Paper Award” for 2014. The winners were chosen by the Editor-in-Chief and selected editorial board members from among all the papers published in 2010. Reviews and research papers were evaluated separately.

  9. Biomimetic processing of oriented crystalline ceramic layers

    Energy Technology Data Exchange (ETDEWEB)

    Cesarano, J.; Shelnutt, J.A.

    1997-10-01

    The aim of this project was to develop the capabilities for Sandia to fabricate self assembled Langmuir-Blodgett (LB) films of various materials and to exploit their two-dimensional crystalline structure to promote the growth of oriented thin films of inorganic materials at room temperature. This includes the design and synthesis of Langmuir-active (amphiphilic) organic molecules with end groups offering high nucleation potential for various ceramics. A longer range goal is that of understanding the underlying principles, making it feasible to use the techniques presented in this report to fabricate unique oriented films of various materials for electronic, sensor, and membrane applications. Therefore, whenever possible, work completed in this report was completed with the intention of addressing the fundamental phenomena underlying the growth of crystalline, inorganic films on template layers of highly organized organic molecules. This problem was inspired by biological processes, which often produce exquisitely engineered structures via templated growth on polymeric layers. Seashells, for example, exhibit great toughness owing to their fine brick-and-mortar structure that results from templated growth of calcium carbonate on top of layers of ordered organic proteins. A key goal in this work, therefore, is to demonstrate a positive correlation between the order and orientation of the template layer and that of the crystalline ceramic material grown upon it. The work completed was comprised of several parallel efforts that encompassed the entire spectrum of biomimetic growth from solution. Studies were completed on seashells and the mechanisms of growth for calcium carbonate. Studies were completed on the characterization of LB films and the capability developed for the in-house fabrication of these films. Standard films of fatty acids were studied as well as novel polypeptides and porphyrins that were synthesized.

  10. Effects of molecule anchoring and dispersion on nanoscopic friction under electrochemical control

    Science.gov (United States)

    de Wijn, A. S.; Fasolino, A.; Filippov, A. E.; Urbakh, M.

    2016-03-01

    The application of electric fields is a promising strategy for in situ control of friction. While there have recently been many experimental studies on friction under the influence of electric fields, theoretical understanding is very limited. Recently, we introduced a simple theoretical model for friction under electrochemical conditions that focused on the interaction of a force microscope tip with adsorbed molecules whose orientation was dependent on the applied electric field. Here we focus on the effects of anchoring of the molecules on friction. We show that anchoring affects the intensity and width of the peak in the friction that occurs near a reorientation transition of adsorbed molecules, and explain this by comparing the strength of molecule-molecule and molecule-tip interactions. We derive a dispersion relation for phonons in the layer of adsorbed molecules and demonstrate that it can be used to understand important features of the frictional response.

  11. Effects of molecule anchoring and dispersion on nanoscopic friction under electrochemical control.

    Science.gov (United States)

    de Wijn, A S; Fasolino, A; Filippov, A E; Urbakh, M

    2016-03-16

    The application of electric fields is a promising strategy for in situ control of friction. While there have recently been many experimental studies on friction under the influence of electric fields, theoretical understanding is very limited. Recently, we introduced a simple theoretical model for friction under electrochemical conditions that focused on the interaction of a force microscope tip with adsorbed molecules whose orientation was dependent on the applied electric field. Here we focus on the effects of anchoring of the molecules on friction. We show that anchoring affects the intensity and width of the peak in the friction that occurs near a reorientation transition of adsorbed molecules, and explain this by comparing the strength of molecule-molecule and molecule-tip interactions. We derive a dispersion relation for phonons in the layer of adsorbed molecules and demonstrate that it can be used to understand important features of the frictional response.

  12. Unraveling the origin of the orientation of Ir complexes doped in organic semiconducting layers

    Science.gov (United States)

    Moon, Chang-Ki; Kim, Kwon-Hyeon; Kim, Jang-Joo

    2017-08-01

    Emitting dipole orientation (EDO) is an important issue of emitting materials in organic light-emitting diodes for an increase of outcoupling efficiency of light. The origin of preferred orientation of emitting dipole of iridium-based heteroleptic phosphorescent dyes doped in organic layers is revealed by simulation of vacuum deposition using molecular dynamics along with quantum mechanical characterization of the phosphors. Consideration of both the electronic transitions in a molecular frame and the orientation of the molecules at the vacuum/molecular film interface allows quantitative analyses of the EDO depending on host molecules and dopant structures. Interactions between the phosphor and nearest host molecules on the surface, minimizing the non-bonded van der Waals and electrostatic interaction energies determines the molecular alignment during the vacuum deposition. Parallel alignment of the main cyclometalating ligands in the molecular complex due to host interactions rather than the ancillary ligand orienting to vacuumleads to the horizontal EDO.

  13. Biofuels: from microbes to molecules

    National Research Council Canada - National Science Library

    Lu, Xuefeng

    2014-01-01

    .... The production of different biofuel molecules including hydrogen, methane, ethanol, butanol, higher chain alcohols, isoprenoids and fatty acid derivatives, from genetically engineered microbes...

  14. Molecules Best Paper Award 2015

    Directory of Open Access Journals (Sweden)

    Derek J. McPhee

    2015-01-01

    Full Text Available Molecules instituted some years ago a “Best Paper” award to recognize the most outstanding papers in the area of organic synthesis, natural products, medicinal chemistry and molecular diversity published each year in Molecules. We are pleased to announce the third “Molecules Best Paper Award” for 2015. The winners were chosen by the Editor-in-Chief and selected editorial board members from among all the papers published in 2011. Reviews and research papers were evaluated separately. We are pleased to announce that the following eight papers have won the Molecules Best Paper Award for 2015:[...

  15. Understanding voter orientation in the context of political market orientation

    DEFF Research Database (Denmark)

    Ormrod, Robert P.; Henneberg, Stephan C.

    2010-01-01

    This article develops a conceptual framework and measurement model of political market orientation. The relationships between different behavioural aspects of political market orientation and the attitudinal influences of such behaviour are analysed, and the study includes structural equation...... modelling to test several hypotheses. While the results show that political parties focus on several different aspects of market-oriented behaviour, especially using an internal and societal orientation as cultural antecedents, a more surprising result is the inconclusive effect of a voter orientation...... on political market orientation. This lends support to the argument of 'looking beyond the customer' in political marketing research and practice. The article discusses the findings in the context of the existing literature on political marketing and commercial market orientation....

  16. Oriented immobilized anti-LDL antibody carrying poly(hydroxyethyl methacrylate) cryogel for cholesterol removal from human plasma

    Energy Technology Data Exchange (ETDEWEB)

    Bereli, Nilay [Department of Chemistry, Hacettepe University, Beytepe, Ankara (Turkey); Sener, Guelsu [Nanotechnology and Nanomedicine Division, Hacettepe University, Ankara (Turkey); Yavuz, Handan, E-mail: handany@hacettepe.edu.tr [Department of Chemistry, Hacettepe University, Beytepe, Ankara (Turkey); Denizli, Adil [Department of Chemistry, Hacettepe University, Beytepe, Ankara (Turkey)

    2011-07-20

    Low density lipoprotein (LDL) cholesterol is a major ingredient of the plaque that collects in the coronary arteries and causes coronary heart diseases. Among the methods used for the extracorporeal elimination of LDL from intravasal volume, immunoaffinity technique using anti-LDL antibody as a ligand offers superior selectivity and specificity. Proper orientation of the immobilized antibody is the main issue in immunoaffinity techniques. In this study, anti-human {beta}-lipoprotein antibody (anti-LDL antibody) molecules were immobilized and oriented through protein A onto poly(2-hydroxyethyl methacrylate) (PHEMA) cryogel in order to remove LDL from hypercholesterolemic human plasma. PHEMA cryogel was prepared by free radical polymerization initiated with N,N,N',N'-tetramethylene diamine (TEMED). PHEMA cryogel with a swelling degree of 8.89 g H{sub 2}O/g and 67% macro-porosity was characterized by swelling studies, scanning electron microscope (SEM) and blood compatibility tests. All the clotting times were increased when compared with control plasma. The maximum immobilized anti-LDL antibody amount was 63.2 mg/g in the case of random antibody immobilization and 19.6 mg/g in the case of oriented antibody immobilization (protein A loading was 57.0 mg/g). Random and oriented anti-LDL antibody immobilized PHEMA cryogels adsorbed 111 and 129 mg LDL/g cryogel from hypercholesterolemic human plasma, respectively. Up to 80% of the adsorbed LDL was desorbed. The adsorption-desorption cycle was repeated 6 times using the same cryogel. There was no significant loss of LDL adsorption capacity. - Research highlights: {yields} LDL cholesterol is a risk factor in the development of coronary heart diseases. {yields} Antibodies against LDL are used for the selective extracorporeal removal of LDL. {yields} Protein A is used for the oriented immobilization of anti LDL onto PHEMA cryogel. {yields} PHEMA cryogels are biocompatible, exhibit a low pressure drop, lack diffusion

  17. Electrochemistry of individual molecules in zeptoliter volumes.

    Science.gov (United States)

    Sun, Peng; Mirkin, Michael V

    2008-07-02

    Electrochemical experiments were carried out in a nanometer-sized cylindrical thin layer cell (TLC) formed by etching the surface of a disk-type platinum nanoelectrode (5- to 150-nm radius). Using high frequency ac voltage, the surface of such an electrode was etched to remove a very thin (> or = 1-nm-thick) layer of Pt. The resulting zeptoliter-scale cavity inside the glass sheath was filled with aqueous solution containing redox species, and the etched electrode was immersed in a dry (no external solution) pool of mercury to produce a TLC. Several approaches based on steady-state voltammetry and scanning electrochemical microscopy (SECM) were developed to independently evaluate the electrode radius and the etched volume. The number of redox molecules in the TLC could be varied between one and a few hundred by changing its volume and solution concentration. In this way, the transition between a random and deterministic number of trapped molecules was observed. High quality steady-state voltammograms of > or = 1 molecules were obtained for different neutral and charged redox species and different concentrations of supporting electrolyte. The analysis of such voltammograms yields information about mass transfer, adsorption, electron transfer kinetics, and double-layer effects on the nanoscale.

  18. Emotion-oriented systems

    CERN Document Server

    Pelachaud, Catherine

    2013-01-01

    The Affective Computing domain, term coined by Rosalind Picard in 1997, gathers several scientific areas such as computer science, cognitive science, psychology, design and art. The humane-machine interaction systems are no longer solely fast and efficient. They aim to offer to users affective experiences: user's affective state is detected and considered within the interaction; the system displays affective state; it can reason about their implication to achieve a task or resolve a problem. In this book, we have chosen to cover various domains of research in emotion-oriented systems. Our aim

  19. The Sexual Orientation Cases

    Directory of Open Access Journals (Sweden)

    Loveland Ian

    2017-05-01

    Full Text Available This paper assesses Scalia’s contribution to a series of cases, spanning much of his thirty years tenure on the court, which addressed issues relating to sexual orientation discrimination. The argument put forward is that these cases severely undermine any claim that Scalia might make to having been a distinguished judge in an intellectual or juridical sense. The pervasive theme of Scalia’s opinions in these matters is that of a constant failure to respect traditional tenets of legal reasoning and a compulsive inclination to engage in abusive castigation both of the litigants challenging the discriminatory laws and his judicial colleagues who did not agree with his viewpoint.

  20. Schopenhauer e o Oriente

    OpenAIRE

    Fabio Luiz de Almeida Mesquita

    2007-01-01

    Essa dissertação analisa a influência oriental recebida por Schopenhauer durante a formação de sua filosofia e a conseqüência gerada em seus textos tardios no conceito de religião. Enfoca-se, principalmente, a obra em latim Oupnek\\'hat, que possui 50 das 108 Upaniñad, traduzida por Anquetil-Duperron e publicada em 1801/1802. Tal obra foi estudada por Schopenhauer a partir de 1814. Nela estão presentes conceitos orientais como Maya, \\"Illos tu és\\" (Isto és tu - Tat tvam asi) e trimurti, que f...

  1. Quantum transport through single molecules

    NARCIS (Netherlands)

    Osorio Oliveros, E.A.

    2009-01-01

    This thesis describes three-terminal transport measurements through single molecules. The interest in this field stems from the dream that single molecules will form the building blocks for future nanoscale electronic devices. The advantages are their small size -nanometers-, and their synthetic

  2. Electron Impact Excitation-Ionization of Molecules

    Science.gov (United States)

    Ali, Esam Abobakr A.

    In the last few decades, the study of atomic collisions by electron-impact has made significant advances. The most difficult case to study is electron impact ionization of molecules for which many approximations have to be made and the validity of these approximations can only be checked by comparing with experiment. In this thesis, I have examined the Molecular three-body distorted wave (M3DW) or Molecular four-body distorted wave (M4DW) approximations for electron-impact ionization. These models use a fully quantum mechanical approach where all particles are treated quantum mechanically and the post collision interaction (PCI) is treated to all orders of perturbation. These electron impact ionization collisions play central roles in the physics and chemistry of upper atmosphere, biofuel, the operation of discharges and lasers, radiation induced damage in biological material like damage to DNA by secondary electrons, and plasma etching processes. For the M3DW model, I will present results for electron impact single ionization of small molecules such as Water, Ethane, and Carbon Dioxide and the much larger molecules Tetrahydrofuran, phenol, furfural, 1-4 Benzoquinone. I will also present results for the four-body problem in which there are two target electrons involved in the collision. M4DW results will be presented for dissociative excitation-ionization of orientated D2. I will show that M4DW calculations using a variational wave function for the ground state that included s- and p- orbital states give better agreement to the experimental measurements than a ground state approximated as a product of two 1s-type Dyson orbitals.

  3. Cold molecules, collisions and reactions

    Science.gov (United States)

    Hecker Denschlag, Johannes

    2016-05-01

    I will report on recent experiments of my group where we have been studying the formation of ultracold diatomic molecules and their subsequent inelastic/reactive collisions. For example, in one of these experiments we investigate collisions of triplet Rb2 molecules in the rovibrational ground state. We observe fast molecular loss and compare the measured loss rates to predictions based on universality. In another set of experiments we investigate the formation of (BaRb)+ molecules after three-body recombination of a single Ba+ ion with two Rb atoms in an ultracold gas of Rb atoms. Our investigations indicate that the formed (BaRb)+ molecules are weakly bound and that several secondary processes take place ranging from photodissociation of the (BaRb)+ molecule to reactive collisions with Rb atoms. I will explain how we can experimentally distinguish these processes and what the typical reaction rates are. Support from the German Research foundation DFG and the European Community is acknowledged.

  4. Vibrational coupling in plasmonic molecules.

    Science.gov (United States)

    Yi, Chongyue; Dongare, Pratiksha D; Su, Man-Nung; Wang, Wenxiao; Chakraborty, Debadi; Wen, Fangfang; Chang, Wei-Shun; Sader, John E; Nordlander, Peter; Halas, Naomi J; Link, Stephan

    2017-10-31

    Plasmon hybridization theory, inspired by molecular orbital theory, has been extremely successful in describing the near-field coupling in clusters of plasmonic nanoparticles, also known as plasmonic molecules. However, the vibrational modes of plasmonic molecules have been virtually unexplored. By designing precisely configured plasmonic molecules of varying complexity and probing them at the individual plasmonic molecule level, intramolecular coupling of acoustic modes, mediated by the underlying substrate, is observed. The strength of this coupling can be manipulated through the configuration of the plasmonic molecules. Surprisingly, classical continuum elastic theory fails to account for the experimental trends, which are well described by a simple coupled oscillator picture that assumes the vibrational coupling is mediated by coherent phonons with low energies. These findings provide a route to the systematic optical control of the gigahertz response of metallic nanostructures, opening the door to new optomechanical device strategies. Published under the PNAS license.

  5. An optical conveyor for molecules.

    Science.gov (United States)

    Weinert, Franz M; Braun, Dieter

    2009-12-01

    Trapping single ions under vacuum allows for precise spectroscopy in atomic physics. The confinement of biological molecules in bulk water is hindered by the lack of comparably strong forces. Molecules have been immobilized to surfaces, however often with detrimental effects on their function. Here, we optically trap molecules by creating the microscale analogue of a conveyor belt: a bidirectional flow is combined with a perpendicular thermophoretic molecule drift. Arranged in a toroidal geometry, the conveyor accumulates a hundredfold excess of 5-base DNA within seconds. The concentrations of the trapped DNA scale exponentially with length, reaching trapping potential depths of 14 kT for 50 bases. The mechanism does not require microfluidics, electrodes, or surface modifications. As a result, the trap can be dynamically relocated. The optical conveyor can be used to enhance diffusion-limited surface reactions, redirect cellular signaling, observe individual biomolecules over a prolonged time, or approach single-molecule chemistry in bulk water.

  6. Ion-Molecule Reaction Dynamics.

    Science.gov (United States)

    Meyer, Jennifer; Wester, Roland

    2017-05-05

    We review the recent advances in the investigation of the dynamics of ion-molecule reactions. During the past decade, the combination of single-collision experiments in crossed ion and neutral beams with the velocity map ion imaging detection technique has enabled a wealth of studies on ion-molecule reactions. These methods, in combination with chemical dynamics simulations, have uncovered new and unexpected reaction mechanisms, such as the roundabout mechanism and the subtle influence of the leaving group in anion-molecule nucleophilic substitution reactions. For this important class of reactions, as well as for many fundamental cation-molecule reactions, the information obtained with crossed-beam imaging is discussed. The first steps toward understanding micro-solvation of ion-molecule reaction dynamics are presented. We conclude with the presentation of several interesting directions for future research.

  7. Teachers' orientations towards writing

    Directory of Open Access Journals (Sweden)

    Sarah J. McCarthey & Dumisile Mkhize

    2013-06-01

    Full Text Available This study of 29 teachers from four states in the US investigated teachers' orientations towards writing and the influences on their beliefs. Through interviews about writing instruction, the researchers found significant differences between teachers in high and low-income schools. While teachers in high-income schools valued rhetorical style, developing voice, and reading-writing connections, teachers in low-income schools focused on grammar, mechanics and sentence structure. Teachers in high-income schools appear to be exercising more choice in curricular materials and valuing quality of writing beyond grammar and mechanics, whereas teachers in low-income schools are using specific curriculum mandated by the districts. Influences on teachers' orientations included school context, programs and materials, and assessments. The study raises concerns that students in low-income schools are missing out on authentic, challenging, and meaningful writing opportunities since the focus is on skills-based instruction. The findings point to the need for teachers to provide all students with opportunities to develop rhetorical style, voice, and reading-writing connections in addition to grammar, mechanics, and sentence structure.

  8. Course d'Orientation

    CERN Multimedia

    Course d'Orientation

    2012-01-01

      Coupe de printemps La deuxième étape de la coupe de printemps organisée par le club d’orientation du CERN s’est déroulée le samedi 21 avril dans la forêt de Pougny-Challex. étant donné le temps très humide qui domine depuis début avril, les coureurs ne pouvaient trouver qu’un terrain gras et trempé, mais cela fait partie des défis de la course d’orientation. Le parcours technique long a été remporté par Yvan Balliot, CO Annecy en 51:18 devant Jean-Charles Baritaux en 56:21 et Bruno Barge, CO CERN en 59:39. La prochaine CO populaire se courra à Vulbens le samedi 28 avril. Les inscriptions et les départs se feront entre 13h et 15h. A noter les courses en mai : • Samedi 5 mai : Trelex • Samedi 12 mai : Chancy / Valleiry • Samedi 19 mai : Lausan...

  9. Milestones Universidad de Oriente

    Directory of Open Access Journals (Sweden)

    Julio A. Villalón-Infante

    2016-09-01

    Full Text Available On October 10, 1947, the University of Oriente is founded with the presence of local authorities and the historic Bell of the Damajagua. Since then it has generated outstanding events that have drawn guidelines in its history. These landmarks have taken place in different spheres of social, political and economic life. We have found that most workers and students from the University know less than fifty percent of such events, and we assume that the population outside the walls must have a greater ignorance. The present paper aims to spread these crucial events because knowing them will help appreciate better the real prestige of this house of higher learning through its rich  history, which will result in feelings of admiration and respect for this university. Thus, it is necessary to make a wider propagation through the press, radio and television programs and digital media such as Multimedia, Web Pages and the Internet.The theme landmark at the Universidad de Oriente of the subject Historical and Contemporary Debates implemented in the disciplines of all careers at this university gives freshmen the opportunity to investigate and learn about these remarkable  facts with some impact outside our national territory.

  10. Club d'orientation

    CERN Multimedia

    Le Club d’Orientation du CERN

    2010-01-01

    COURSE D’ORIENTATION : Coupe Genevoise de printemps 2010 Pour cette première étape de la Coupe Genevoise de printemps, une centaine de coureurs se sont déplacés dans les bois de Cossonay (Vd) pour découvrir un des cinq circuits proposés par le Club de Lausanne-Jorat. Ces circuits techniques et rapides ont été appréciés par la majorité des concurrents. Les vainqueurs du jour sont : technique long, Christophe Vuitton (CO CERN) s’imposant d’une seconde devant Grégoire Schrago (CO Rosé) ; technique moyen, Pekka Marti (Ol Bienne) ; technique court, David Cuenin (ANCO) ; facile moyen, Nicolas Muller (CO Lausanne-Jorat) et pour finir facile court, Julien Vuitton (CO CERN). Les résultats complets - avec temps intermédiaires – sont consultables sur http://cern.ch/club-orientation. Le prochain rendez-vous est pr&...

  11. Course d'Orientation

    CERN Multimedia

    Course d'Orientation

    2012-01-01

    Coupe de printemps Le coup d’envoi de la coupe de printemps a été donné le 17 mars au Flon près de Lausanne. Cinq parcours de différents niveaux ont accueilli environ 90 concurrents. Mathieu Mazuez du club OLG Bern a remporté le parcours Technique long en 51:46 devant Berni Wehrle du CO CERN en 52:52 pour 16 balises. Les résultats complets sont disponibles sur le site http://cern.ch/club-orientation. La deuxième étape de la coupe de printemps se déroulera à Challex (74) le samedi 21 avril. Le club vous proposera une course type longue distance avec des départs entre 13 h 00 et 15 h 00 (détails sur cette course disponible sur le site internet). À bientôt dans la nature, le Club d’Orientation du CERN.

  12. Club d'orientation

    CERN Multimedia

    Le Club d’Orientation du CERN

    2011-01-01

      Course d’orientation : Coupe Genevoise de printemps 2011 Nouvelle saison – nouveau programme Le Club d’Orientation du CERN, en partenariat avec d’autres clubs de la région, vous propose une dizaine de courses pour la coupe de printemps. Elles se dérouleront des deux cotés de la frontière franco-suisse, à savoir : Samedi 19 mars: Vidy/Dorigny (Vd) - Score Samedi 26 mars: Attalens (Vd) Samedi 2 avril: Vulbens (74) Samedi 9 avril: Challex (74) Samedi 16 avril: Vernand-Dessus (Vd) Samedi 7 mai: Trelex (Vd) Samedi 14 mai: Chancy/Valleiry (Ge/74) Samedi 21 mai: Prémanon (39) Samedi 28 mai : Semnoz (74) Samedi 18 juin: La Faucille (01) – Finale Ces courses populaires ont lieu le samedi après-midi, elles sont ouvertes à tous, quel que soit le niveau, du débutant au sportif confirmé...

  13. Club d'orientation

    CERN Multimedia

    Le Club d’Orientation du CERN

    2011-01-01

    La première course d’orientation comptant pour la Coupe Genevoise de printemps a eu lieu près de Cossonay samedi 19 mars ; une bonne soixantaine de coureurs avaient fait le déplacement. Les vainqueurs sont : technique long, Domenico Lepori (Care Vevey) s’imposant d’une minute devant Yannick Gagneret (O’Jura) ; technique moyen, Jean-Rodolphe Knuchel (CO Lausanne-Jorat) devant Cédric Wehrle (CO CERN) ; technique court, Marie Droz (ANCO) ; facile moyen, Elia Martarelli devant Konstantinos Haider (CO CERN); facile court, Sarah Stuber (CO Lausanne-Jorat). Prochain rendez-vous à noter : samedi 26 mars dans la forêt d’Attalens (Canton de Vaud), parking au terrain de foot. Les inscriptions et départs de la course populaire se feront entre 13h et 15h. Pour ceux qui ne connaissent pas l’orientation, c’est l&am...

  14. Experimental scattering matrices of clouds and randomly oriented particles

    NARCIS (Netherlands)

    Muñoz, O.; Hovenier, J.W.; Kolokolova, L.; Hough, J.; Levasseur-Regourd, A.C.

    2015-01-01

    In the atmospheres of planets and satellites, liquid particles may occur in the form of clouds, hazes, fog, and rain. The liquid can be water as is the case in the atmosphere of the Earth but also other materials, like sulfuric acid that occurs in the atmosphere of Venus. These liquid particles can

  15. Differences in Self-Concept, Academic Orientation and Vocational ...

    African Journals Online (AJOL)

    The study investigated differences in self-concept, academic orientation and vocational interests between normal children and institutionalized street children in Lagos Metropolis. A sample of 120 children randomly selected from 2 rehabilitation homes, 2 private and 2 public schools within Lagos Metropolis was used.

  16. Task-Oriented Gaming for Transfer to Prosthesis Use

    NARCIS (Netherlands)

    van Dijk, Ludger; Sluis, van der Corry K.; van Dijk, Hylke W.; Bongers, Raoul M.

    2016-01-01

    The aim of this study is to establish the effect of task-oriented video gaming on using a myoelectric prosthesis in a basic activity of daily life (ADL). Forty-one able-bodied right-handed participants were randomly assigned to one of four groups. In three of these groups the participants trained to

  17. Deteminants of market orientation among cassava producers in Abia ...

    African Journals Online (AJOL)

    The study was conducted to empirically investigate determinants of market orientation among cassava producers in Abia State, Nigeria. Structured questionnaire was used to obtain data from the respondents. A multi-stage randomized sampling procedure was used to select 96 respondents for the study. The data collected ...

  18. Fit between Future Thinking and Future Orientation on Creative Imagination

    Science.gov (United States)

    Chiu, Fa-Chung

    2012-01-01

    The purpose of the current study is to investigate the impact of future thinking, and the fit between future thinking and future orientation on creative thinking. In Study 1, 83 undergraduates were randomly assigned to three groups: 50-year future thinking, 5-year future thinking, and the present-day thinking. First, the priming tasks, in which…

  19. Single Molecule Electronics and Devices

    Science.gov (United States)

    Tsutsui, Makusu; Taniguchi, Masateru

    2012-01-01

    The manufacture of integrated circuits with single-molecule building blocks is a goal of molecular electronics. While research in the past has been limited to bulk experiments on self-assembled monolayers, advances in technology have now enabled us to fabricate single-molecule junctions. This has led to significant progress in understanding electron transport in molecular systems at the single-molecule level and the concomitant emergence of new device concepts. Here, we review recent developments in this field. We summarize the methods currently used to form metal-molecule-metal structures and some single-molecule techniques essential for characterizing molecular junctions such as inelastic electron tunnelling spectroscopy. We then highlight several important achievements, including demonstration of single-molecule diodes, transistors, and switches that make use of electrical, photo, and mechanical stimulation to control the electron transport. We also discuss intriguing issues to be addressed further in the future such as heat and thermoelectric transport in an individual molecule. PMID:22969345

  20. Phase diagram of a lattice of vortex molecules in multicomponent superconductors and multilayer cuprate superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Tanaka, Y; Shivagan, D D; Iyo, A; Shirage, P M [National Institute of Advanced Industrial Science and Technology, Tsukuba 305-8568 (Japan); Crisan, A [National Institute of Materials Physics, Bucharest 077125 (Romania); Tokiwa, K; Watanabe, T [Department of Applied Electronics, Tokyo University of Science, Noda 278-851 (Japan); Terada, N [Department of Nano-Structures and Advanced Materials, Graduate School of Science and Engineering, Kagoshima University, Korimoto, Kagoshima 890-0065 (Japan)], E-mail: y.tanaka@aist.go.jp

    2008-08-15

    The Abrikosov lattice in the multilayer cuprate superconductor CuBa{sub 2}Ca{sub 3}Cu{sub 3}O{sub y} (Cu-1223) has been experimentally and theoretically demonstrated to be composed of vortex molecules. Cu-1223 is considered to be a typical multicomponent superconductor. We show that in such a system the rotational freedom around the axis of the vortex molecular tube generates orientational disorder and the orientational glass (or crystal) phase, which is never present in conventional vortex lattices consisting of axisymmetric vortices. The emergence of the orientational glass phase and orientational order phase with orthorhombic distortion is a general property of vortex molecule lattices of the multiband type of multicomponent superconductors.

  1. French Orientational Accent

    Directory of Open Access Journals (Sweden)

    Primož Vitez

    2015-12-01

    Full Text Available The history of describing the French final accent – and French accentuation in general – is fulfilled by different and very heterogenous approaches, analyzing this prosodic feature in French from both substantial and functional points of view. Viewed through pragmatical frame, the final accent is a one of the key aspects in shaping the acoustical image of spoken French and b a strategic tool for the speaker to build the coherence and sense of uttering. The distribution of final accents, i. e. forming accentual units, helps the speaker and his adressee to form a refined strategy in generating and perceiving the spoken text. From the discourse point of view it is therefore justified to define the French final accent as an orientational prosodic feature.

  2. Spiritually oriented psychodynamic psychotherapy.

    Science.gov (United States)

    Shafranske, Edward P

    2009-02-01

    Spiritually oriented psychodynamic psychotherapy pays particular attention to the roles that religious and spiritual beliefs, practices, and experiences play in the psychological life of the client. Contemporary psychoanalytic theorists offer multiple approaches to understand the functions of religious experience. Spirituality provides a means to address existential issues and provide a context to form personal meaning. Religious narratives present schemas of relationship and models of experiences salient to mental health, such as hope. God images or other symbolic representations of the transcendent have the power to evoke emotions, which in turn, influence motivation and behavior. While employing theories and techniques derived from psychodynamic psychotherapy, this therapeutic approach encourages the analysis of the functions religion and spirituality serve, while respecting the client's act of believing in faith. Psychotherapists address a client's spirituality by exploring the psychological meaning of such personal commitments and experiences and refrain from entering into discussion of faith claims. (c) 2009 Wiley Periodicals, Inc.

  3. MRI of oriental cholangiohepatitis

    Energy Technology Data Exchange (ETDEWEB)

    Wani, N.A., E-mail: ahmad77chinar@gmail.co [Department of Radiodiagnosis and Imaging, Sher-I-Kashmir Institute of Medical Sciences (SKIMS), Srinagar (India); Robbani, I.; Kosar, T. [Department of Radiodiagnosis and Imaging, Sher-I-Kashmir Institute of Medical Sciences (SKIMS), Srinagar (India)

    2011-02-15

    Oriental cholangiohepatitis (OCH) also called recurrent pyogenic cholangitis is characterized by intrahepatic duct calculi, strictures, and recurrent infections. In turn cholangitis can result in multiple hepatic abscesses, further biliary strictures, and in severe cases, progressive hepatic parenchymal destruction, cirrhosis, and portal hypertension. Magnetic resonance cholangiopancreatography (MRCP) and conventional T1-weighted (T1 W) and T2-weighted (T2 W) magnetic resonance imaging (MRI) findings have been described in patients with OCH. MRCP findings include duct dilation, strictures, and calculi. MRCP can help to localize the diseased ducts and determine the severity of involvement. T1 and T2 W sequences reveal the parenchymal changes of atrophy, abscess formation, and portal hypertension in addition to calculi. Post-treatment changes are also well depicted using MRI. Comprehensive, non-invasive assessment is achieved by using conventional MRI and MRCP in OCH providing a roadmap for endoscopic or surgical management.

  4. Analysis on fibre orientation of thermal bonded nonwoven

    Science.gov (United States)

    Musa, Atiyyah; Gong, Rong Hugh; Nasir, Eryna; Baharudin, Aznin; Tulos, Najua

    2016-02-01

    The aim of this research is to produce some three-dimensional (3D) nonwoven fabrics with variation in weight and type of fibre and then analyse their fibre orientation distribution by fast Fourier Transform (FFT) method. Three different fibres were used: polyester, polypropylene and blended polyester and polypropylene. Fabric weight varied from 20 to 180 g/m2. The processes of web formation and consolidation were based on the principle of air-laid and hot through-air thermal bonding technique. The result of the fibre orientation showed a random distribution of the fibres for all the samples. It indicated that there was no relationship between the variables and fibre orientation distribution. The position of 3D web whether from the top or side part did not show any variation and thus they did not have the influence towards the fibre orientation.

  5. Soliton molecules in a fiber laser mode-locked by a graphene-based saturable absorber

    Science.gov (United States)

    Gao, Bo; Huo, Jiayu; Wu, Ge; Tian, Xiaojian

    2015-07-01

    We have experimentally investigated a novel kind of soliton molecule in a graphene-based mode-locking fiber laser with anomalous dispersion. The soliton molecule exhibits a stable rectangular profile on the oscilloscope, whereas it shows randomly distributed peaks in the autocorrelation trace, which indicates that the temporal separation of pulses in the molecule is varying all the time. The optical spectrum is modulated with a depth of about 7 dB over the whole profile, induced by the interaction of the intra-molecule solitons. The experimental results demonstrate that solitons in the pulse molecule oscillate randomly in temporal domain and the neighboring molecules are temporally separated by a fundamental cavity repetition rate, which is very different from that of the multi-solitons or bound-state solitons.

  6. The theory of experience orientation

    DEFF Research Database (Denmark)

    Jensen, Jesper Legaard

    2012-01-01

    This paper describes the theory of experience orientation, which builds on the division of experiences in two categories: Goal-oriented and Omni-oriented. The theory comes from preliminary studies of userexperiences in a work-context, where I have found this distinction to be beneficial....... In this paper I explain the theory behind it and the practical application of such a distinction when designing for an experience....

  7. Oriented Poly(dialkylstannane)s

    DEFF Research Database (Denmark)

    Choffat, Fabien; Fornera, Sara; Smith, Paul

    2008-01-01

    The inorganic (or 'organometallic') polymers poly(dibutylstannane), poly(dioctylstannane), and poly(didodecylstannane) have been oriented by shear forces, the tensile drawing of blends with polyethylene, and deposition from solution onto glass slides coated with all oriented, friction...... to the applied orientation direction, which forces the polymer backbone into a perpendicular position. Finally, UV-vis spectra indicate that changes in the backbone conformation of certain polystannanes might be induced by applying mechanical stress....

  8. Stardust and the Molecules of Life (Why are the Amino Acids Left-Handed?)

    Energy Technology Data Exchange (ETDEWEB)

    Boyd, R N; Kajino, T; Onaka, T

    2010-04-02

    A mechanism for creating and selecting amino acid chirality is identified, and subsequent chemical replication and galactic mixing that would populate the galaxy with the predominant species will be described. This involves: (1) the spin of the {sup 14}N in the amino acids, or in precursor molecules from which amino acids might be formed, coupling to the chirality of the molecules; (2) the neutrinos emitted from the supernova, together with magnetic field from the nascent neutron star or black hole from the supernova selectively destroying one orientation of the {sup 14}N, thereby selecting the chirality associated with the other {sup 14}N orientation; (3) amplification by chemical evolution, by which the molecules replicate on a relatively short timescale; and (4) galactic mixing on a longer timescale mixing the selected molecules throughout the galaxy.

  9. A Single-Molecule Diode

    National Research Council Canada - National Science Library

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

    2005-01-01

    ...-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...

  10. Fluorescence Microscopy of Single Molecules

    Science.gov (United States)

    Zimmermann, Jan; van Dorp, Arthur; Renn, Alois

    2004-01-01

    The investigation of photochemistry and photophysics of individual quantum systems is described with the help of a wide-field fluorescence microscopy approach. The fluorescence single molecules are observed in real time.

  11. Triacylglycerol: nourishing molecule in endurance

    Indian Academy of Sciences (India)

    rich molecules as an energy sourceobtained from host cell debris remains interesting. Additionally, the potential of M. tuberculosis to survive under differentstress conditions leading to its dormant state in pathogenesis remains elusive. The exact ...

  12. Cell adhesion molecules and sleep.

    Science.gov (United States)

    O'Callaghan, Emma Kate; Ballester Roig, Maria Neus; Mongrain, Valérie

    2017-03-01

    Cell adhesion molecules (CAMs) play essential roles in the central nervous system, where some families are involved in synaptic development and function. These synaptic adhesion molecules (SAMs) are involved in the regulation of synaptic plasticity, and the formation of neuronal networks. Recent findings from studies examining the consequences of sleep loss suggest that these molecules are candidates to act in sleep regulation. This review highlights the experimental data that lead to the identification of SAMs as potential sleep regulators, and discusses results supporting that specific SAMs are involved in different aspects of sleep regulation. Further, some potential mechanisms by which SAMs may act to regulate sleep are outlined, and the proposition that these molecules may serve as molecular machinery in the two sleep regulatory processes, the circadian and homeostatic components, is presented. Together, the data argue that SAMs regulate the neuronal plasticity that underlies sleep and wakefulness. Copyright © 2016 Elsevier Ireland Ltd and Japan Neuroscience Society. All rights reserved.

  13. Report of the Orientation Workshop

    DEFF Research Database (Denmark)

    Nunez, Heilyn Camacho; Buus, Lillian; Ogange, Betty

    2014-01-01

    This Orientation Workshops is part of MAAGART project. The workshop is divided in three parts: 1) pre-Orientation Workshop stage, 2) Face-to-Face stage and 3) post-Orientation stage. Pre and post stages will be developed online. All the activities will take place in a virtual learning environment...... created for this purpose. Participants will receive all the information about how to access the virtual learning environment (Moodle) prior to the pre-orientation workshop. In this report we cover only the two first stages. Jørgen Bang, as a part of the Community of Practice activity, will be facilitating...

  14. Special Issue: Single Molecule Techniques

    OpenAIRE

    Hans H. Gorris

    2015-01-01

    Technological advances in the detection and manipulation of single molecules have enabled new insights into the function, structure and interactions of biomolecules. This Special Issue was launched to account for the rapid progress in the field of “Single Molecule Techniques”. Four original research articles and seven review articles provide an introduction, as well as an in-depth discussion, of technical developments that are indispensable for the characterization of individual biomolecules....

  15. Plasmonic atoms and plasmonic molecules

    OpenAIRE

    V. V. Klimov; Guzatov, D. V.

    2007-01-01

    The proposed paradigm of plasmonic atoms and plasmonic molecules allows one to describe and predict the strongly localized plasmonic oscillations in the clusters of nanoparticles and some other nanostructures in uniform way. Strongly localized plasmonic molecules near the contacting surfaces might become the fundamental elements (by analogy with Lego bricks) for a construction of fully integrated opto-electronic nanodevices of any complexity and scale of integration.

  16. Orientation-and-Location Controlled Single-Grain TFTs on Glass Substrate

    NARCIS (Netherlands)

    Chen, T.

    2011-01-01

    Location controlled single-grain TFT by ?-Czochralski process has attracted a lot of interest due to its high field effect mobility which is comparable to SOI. However, the major challenge is the random orientation of the grains due to the lack of seed layer to control the orientation. This will

  17. Traversing the polymorphic landscape through tuning molecule-molecule, molecule-substrate and molecule-solvent interactions

    Science.gov (United States)

    Purdum, Geoffrey; Gessner, Thomas; Weitz, R. Thomas; Loo, Yueh-Lin

    As subtle changes in the crystalline packing motif of molecular semiconductors can have a large impact on charge transport, a thorough understanding of the accessibility of polymorphs in thin films is needed. Using a series of core-chlorinated naphthalene tetracarboxylic diimides, we demonstrate that the choice of the alkyl substituents at the imide functionalities, as well as the choice of substrate and post-deposition processing conditions, tune the relative strengths of molecule-molecule, molecule-substrate and molecule-solvent interactions, providing a handle over polymorphic selection. We access the triclinic polymorph of NTCDI-CH2C3F7 in thermally evaporated thin films; solvent-vapor annealing induces a reversible transformation to its monoclinic polymorph. The addition of a fluoromethylene group in the alkyl substituent increases molecule-molecule interactions and, accordingly, improves the stability of its triclinic polymorph; this derivative does not undergo a polymorphic transformation with any of the post-deposition conditions we have explored.

  18. Solution-grown small-molecule organic semiconductor with enhanced crystal alignment and areal coverage for organic thin film transistors

    Directory of Open Access Journals (Sweden)

    Sheng Bi

    2015-07-01

    Full Text Available Drop casting of small-molecule organic semiconductors typically forms crystals with random orientation and poor areal coverage, which leads to significant performance variations of organic thin-film transistors (OTFTs. In this study, we utilize the controlled evaporative self-assembly (CESA method combined with binary solvent system to control the crystal growth. A small-molecule organic semiconductor,2,5-Di-(2-ethylhexyl-3,6-bis(5″-n-hexyl-2,2′,5′,2″]terthiophen-5-yl-pyrrolo[3,4-c]pyrrole-1,4-dione (SMDPPEH, is used as an example to demonstrate the effectiveness of our approach. By optimizing the double solvent ratios, well-aligned SMDPPEH crystals with significantly improved areal coverage were achieved. As a result, the SMDPPEH based OTFTs exhibit a mobility of 1.6 × 10−2 cm2/V s, which is the highest mobility from SMDPPEH ever reported.

  19. Towards physiological complexity with in vitro single-molecule biophysics

    Science.gov (United States)

    Duzdevich, Daniel; Greene, Eric C.

    2013-01-01

    Single-molecule biology has matured in recent years, driven to greater sophistication by the development of increasingly advanced experimental techniques. A progressive appreciation for its unique strengths is attracting research that spans an exceptionally broad swath of physiological phenomena—from the function of nucleosomes to protein diffusion in the cell membrane. Newfound enthusiasm notwithstanding, the single-molecule approach is limited to an intrinsically defined set of biological questions; such limitation applies to all experimental approaches, and an explicit statement of the boundaries delineating each set offers a guide to most fruitfully orienting in vitro single-molecule research in the future. Here, we briefly describe a simple conceptual framework to categorize how submolecular, molecular and intracellular processes are studied. We highlight the domain of single-molecule biology in this scheme, with an emphasis on its ability to probe various forms of heterogeneity inherent to populations of discrete biological macromolecules. We then give a general overview of our high-throughput DNA curtain methodology for studying protein–nucleic acid interactions, and by contextualizing it within this framework, we explore what might be the most enticing avenues of future research. We anticipate that a focus on single-molecule biology's unique strengths will suggest a new generation of experiments with greater complexity and more immediately translatable physiological relevance. PMID:23267187

  20. Decomposing Oriented Graphs into Six Locally Irregular Oriented Graphs

    DEFF Research Database (Denmark)

    Bensmail, Julien; Renault, Gabriel

    2016-01-01

    An undirected graph G is locally irregular if every two of its adjacent vertices have distinct degrees. We say that G is decomposable into k locally irregular graphs if there exists a partition E1∪E2∪⋯∪Ek of the edge set E(G) such that each Ei induces a locally irregular graph. It was recently...... conjectured by Baudon et al. that every undirected graph admits a decomposition into at most three locally irregular graphs, except for a well-characterized set of indecomposable graphs. We herein consider an oriented version of this conjecture. Namely, can every oriented graph be decomposed into at most...... three locally irregular oriented graphs, i.e. whose adjacent vertices have distinct outdegrees? We start by supporting this conjecture by verifying it for several classes of oriented graphs. We then prove a weaker version of this conjecture. Namely, we prove that every oriented graph can be decomposed...

  1. Mechanisms of two-color laser-induced field-free molecular orientation.

    Science.gov (United States)

    Spanner, Michael; Patchkovskii, Serguei; Frumker, Eugene; Corkum, Paul

    2012-09-14

    Two mechanisms of two-color (ω+2ω) laser-induced field-free molecular orientation, based on the hyperpolarizability and ionization depletion, are explored and compared. The CO molecule is used as a computational example. While the hyperpolarizability mechanism generates small amounts of orientation at intensities below the ionization threshold, ionization depletion quickly becomes the dominant mechanism as soon as ionizing intensities are reached. Only the ionization mechanism leads to substantial orientation (e.g., on the order of ≳0.1). For intensities typical of laser-induced molecular alignment and orientation experiments, the two mechanisms lead to robust, characteristic timings of the field-free orientation wave-packet revivals relative to the alignment revivals and the revival time. The revival timings can be used to detect the active orientation mechanism experimentally.

  2. COURSE D'ORIENTATION

    CERN Multimedia

    Course d'Orientation

    2010-01-01

    Du Mont Mussy à Lamoura C’est au Mont Mussy près de Divonne que s’est déroulée la deuxième course comptant pour la coupe d’automne. Une bonne centaine de participants n’ont pas hésité à venir découvrir, sous un magnifique soleil, les 5 parcours proposés par la famille Williams/Hatzifotiadou. La plupart des participants ont couru en individuel, certains ont choisi de chercher les balises en famille. C’est un effet une possibilité qu’offrent nos courses d’orientation du samedi, à savoir que l’on peut pratiquer individuellement, en famille ou entre amis. Les résultats sur les 5 parcours sont les suivants : Technique long : Yannick Gagneret en 1.08:09, suivi par F. Janod en 1.09:41 et de Bruno Barge en 1.11:23. Technique moyen : Victoire pour Rémi...

  3. COURSE D'ORIENTATION

    CERN Multimedia

    CLUB D'ORIENTATION

    2010-01-01

      Finale de la coupe d’automne La coupe d’automne organisée par le club d’orientation du CERN s’est terminée ce samedi 23 octobre après 7 épreuves. Les deux dernières courses se sont déroulées en l’espace de 24 heures, puisque le club organisait une course type nocturne vendredi 22 octobre sur le site du CERN et la dernière étape avait lieu dans la forêt de Merdisel sous la forme d’une course aux points samedi 23 après-midi. Les participants avaient à cœur de bien terminer lors de ces deux épreuves pour consolider ou améliorer leur place au classement général. Le classement général de la coupe d’automne, basé sur les 4 meilleurs résultats de la saison, est ainsi le suivant : Circuit ...

  4. Value oriented marketing strategies

    Directory of Open Access Journals (Sweden)

    Stanković Ljiljana

    2009-01-01

    Full Text Available The complexity of business environment imposes the need for continuous change and reexamination of business marketing strategies of enterprises. Theory and practice of strategic management and marketing show that the activities of marketing, which are closely connected to corporate strategy, are the key drivers of growth. There is a positive correlation between competition intensity, marketing strategy and business performance of companies. Even though, managers of many companies don't see a clear connection between marketing strategy and business performance, numerous empirical research show that the companies which possess and efficiently use marketing resources and capabilities are more successful. In knowledge-based economics, the development of value oriented marketing strategies for all participants in the chain is a supposition of the survival, growth and development of companies. Competitive advantage is the essence of any strategy. Acquisition and maintenance of competitive advantage is more successful if the potentials for value creation are used efficiently. The paper examines the critical factors that influence alignment and transformation of marketing strategies in accordance with changes in value estimation. Superior value, is created in different network classes. Theory and practice researches create a reliable basis for the development of new concepts, marketing strategy business models that will contribute to competitive advantage of enterprises and the economy.

  5. Club d’orientation

    CERN Multimedia

    Club d’orientation

    2010-01-01

    On s’approche vers la finale ! Samedi 29 juin, le club d’orientation de Lausanne-Jorat (Canton de Vaud) a accueilli le relais inter-club. Douze équipes de deux coureurs étaient venues s’affronter sur le parcours de type «facile», et vingt-six équipes de trois coureurs du côté «technique». Tous ces parcours étaient proposés sur une zone semi-urbaine où il fallait alterner entre habitations, rues, bois, parc et adapter sa vitesse de course. Le suspens était bien présent notamment sur le relais technique. La victoire est revenue à l’équipe de l’OLG Huttwil composée de Thomas Hofer, Janick Zappa et Philipp Zappa en un temps de 2:14:07. Juste derrière à 50 secondes on trouve l’équipe CO CERN T1 avec Emese&am...

  6. Device Oriented Project Controller

    Energy Technology Data Exchange (ETDEWEB)

    Dalesio, Leo; Kraimer, Martin

    2013-11-20

    This proposal is directed at the issue of developing control systems for very large HEP projects. A de-facto standard in accelerator control is the Experimental Physics and Industrial Control System (EPICS), which has been applied successfully to many physics projects. EPICS is a channel based system that requires that each channel of each device be configured and controlled. In Phase I, the feasibility of a device oriented extension to the distributed channel database was demonstrated by prototyping a device aware version of an EPICS I/O controller that functions with the current version of the channel access communication protocol. Extensions have been made to the grammar to define the database. Only a multi-stage position controller with limit switches was developed in the demonstration, but the grammar should support a full range of functional record types. In phase II, a full set of record types will be developed to support all existing record types, a set of process control functions for closed loop control, and support for experimental beam line control. A tool to configure these records will be developed. A communication protocol will be developed or extensions will be made to Channel Access to support introspection of components of a device. Performance bench marks will be made on both communication protocol and the database. After these records and performance tests are under way, a second of the grammar will be undertaken.

  7. COURSE D'ORIENTATION

    CERN Multimedia

    COURSE D'ORIENTATION

    2010-01-01

    Coupe d’automne Samedi 25 septembre, certains courageux ont osé affronter le temps pluvieux et frais et se sont rendus aux Pléiades pour participer à la quatrième étape de la coupe Genevoise d’automne. Le Club du CARE-Vevey avait préparé 5 jolis circuits : 3 techniques et 2 faciles. Félicitations à tous les concurrents et plus particulièrement aux vainqueurs de chaque parcours. Les résultats complets sont sur le site du club http://cern.ch/club-orientation. Technique long : 1. Samy Vaehaenen (CO CERN), 2. Clément Poncet (O’Jura), 3. Bernhard Wehrle (CO CERN). Technique moyen : 1. Sampo Vallotton (RTB), 2. Guillaume Ladine (RTB), 3. Anne Godel (CA Rosé). Technique court : 1. Miles Marston (Gimel), 2. Alison High (CARE Vevey), 3. Emese Szwuyog (CO CERN). Facile moyen : 1. Nicolas M&u...

  8. Club d'orientation

    CERN Multimedia

    Club d'orientation du CERN

    2010-01-01

    COURSE D’ORIENTATION  1er mai: muguet et balises à Vulbens Les week-ends s’enchainent et les courses aussi. La quatrième manche de la coupe genevoise organisée par le club sous la direction de J. Zosso, J. Iven et W. Heinze a eu lieu sur le site de Genolier (canton de Vaud) samedi dernier. Le soleil a, une nouvelle fois, accompagné les participants sur les cinq circuits proposés. On notera la jolie performance de Sami Vaehaenen élite finlandais (CO CERN) sur le parcours technique long en 49:09 avec une avance de presque 10 mm sur le second concurrent, le junior Clément Poncet (O’Jura). Les résultats complets de cette étape sont consultables en ligne à l’adresse suivante : http://cern.ch/club-orientation. La prochaine étape est prévue dans la forêt de Vulbens (Haute Savoie) samedi 1er mai sur une toute nouvelle carte. Les...

  9. Course d'Orientation

    CERN Document Server

    Course d'Orientation

    2012-01-01

      Tous à vos boussoles, cap sur une nouvelle saison! Le Club d’Orientation du CERN, en partenariat avec d’autres clubs de la région, vous propose à nouveau une série de courses comptant pour la coupe genevoise. Le coup d’envoi sera donné samedi 17 mars au Flon dans le canton de Vaud  avec une course longue distance. Puis le programme sera le suivant: Samedi 21 avril : Challex Samedi 28 avril : Vulbens Samedi 5 mai : Trelex Samedi 12 mai : Chancy Samedi 19 mai : Lausanne/Sauvabelin Samedi 2 juin: La Faucille Samedi 9 juin: Bonmont/La Rippe Finale Ces courses populaires ont lieu le samedi après-midi, elles sont ouvertes à tous, quel que soit le niveau, du débutant au sportif confirmé, en famille ou en individuel, en promenade ou en course. Pour participer aux épreuves sur le territoire français, il faut être en possession soit ...

  10. Different facets of market orientation

    DEFF Research Database (Denmark)

    Ormrod, Robert P.; Henneberg, Stephan C.

    2009-01-01

    two aims: firstly, we will discuss the different facets of the market orientation of the main UK and German parties in their respective 2005 General Elections through an exploratory content analysis, and secondly, we will compare characteristics of market orientation between the two countries. Whilst...

  11. Neuroanatomic Fiber Orientation Maps (FOMs)

    DEFF Research Database (Denmark)

    Axer, Hubertus; Jantzen, Jan; Grässel, David

    2002-01-01

    A new neuroanatomic method is described which allows to map the orientation of central nervous fibers in gross histological sections. Polarised light is used to calculate the angle of inclination and direction of the fibers in each pixel. Serial fiber orientation maps (FOMs) can be aligned and 3D...

  12. Postdictive modulation of visual orientation.

    Directory of Open Access Journals (Sweden)

    Takahiro Kawabe

    Full Text Available The present study investigated how visual orientation is modulated by subsequent orientation inputs. Observers were presented a near-vertical Gabor patch as a target, followed by a left- or right-tilted second Gabor patch as a distracter in the spatial vicinity of the target. The task of the observers was to judge whether the target was right- or left-tilted (Experiment 1 or whether the target was vertical or not (Supplementary experiment. The judgment was biased toward the orientation of the distracter (the postdictive modulation of visual orientation. The judgment bias peaked when the target and distracter were temporally separated by 100 ms, indicating a specific temporal mechanism for this phenomenon. However, when the visibility of the distracter was reduced via backward masking, the judgment bias disappeared. On the other hand, the low-visibility distracter could still cause a simultaneous orientation contrast, indicating that the distracter orientation is still processed in the visual system (Experiment 2. Our results suggest that the postdictive modulation of visual orientation stems from spatiotemporal integration of visual orientation on the basis of a slow feature matching process.

  13. Problem-Oriented Project Work

    DEFF Research Database (Denmark)

    Olsen, Poul Bitsch; Pedersen, Nils Kaare

    This book is meant to support problem-oriented learning activities. Problem-orientation concerns the reasoning about lack of knowledge, while project work includes the ethnomethods that are practiced when collectives produce scientific knowledge. This book reflects particular methods related...... to sociology and social science and their relation to humanities, technical knowledge and natural science....

  14. The Molecule Cloud - compact visualization of large collections of molecules

    Directory of Open Access Journals (Sweden)

    Ertl Peter

    2012-07-01

    Full Text Available Abstract Background Analysis and visualization of large collections of molecules is one of the most frequent challenges cheminformatics experts in pharmaceutical industry are facing. Various sophisticated methods are available to perform this task, including clustering, dimensionality reduction or scaffold frequency analysis. In any case, however, viewing and analyzing large tables with molecular structures is necessary. We present a new visualization technique, providing basic information about the composition of molecular data sets at a single glance. Summary A method is presented here allowing visual representation of the most common structural features of chemical databases in a form of a cloud diagram. The frequency of molecules containing particular substructure is indicated by the size of respective structural image. The method is useful to quickly perceive the most prominent structural features present in the data set. This approach was inspired by popular word cloud diagrams that are used to visualize textual information in a compact form. Therefore we call this approach “Molecule Cloud”. The method also supports visualization of additional information, for example biological activity of molecules containing this scaffold or the protein target class typical for particular scaffolds, by color coding. Detailed description of the algorithm is provided, allowing easy implementation of the method by any cheminformatics toolkit. The layout algorithm is available as open source Java code. Conclusions Visualization of large molecular data sets using the Molecule Cloud approach allows scientists to get information about the composition of molecular databases and their most frequent structural features easily. The method may be used in the areas where analysis of large molecular collections is needed, for example processing of high throughput screening results, virtual screening or compound purchasing. Several example visualizations of large

  15. Measuring an antibody affinity distribution molecule by molecule

    Energy Technology Data Exchange (ETDEWEB)

    Bradbury, Andrew M [Los Alamos National Laboratory; Werner, James H [Los Alamos National Laboratory; Temirov, Jamshid [INVITROGEN

    2008-01-01

    Single molecule fluorescence mIcroscopy was used to observe the binding and unbinding of hapten decorated quantum dots with individual surface immobilized antibodies. The fluorescence time history from an individual antibody site can be used to calculate its binding affinity. While quantum dot blinking occurs during these measurements, we describe a simple empirical method to correct the apparent/observed affinity to account for the blinking contribution. The combination of many single molecule affinity measurements from different antibodies yields not only the average affinity, it directly measures the full shape and character of the surface affinity distribution function.

  16. Laser-induced deformation of triatomic molecules: Influence on tunnel ionization

    Science.gov (United States)

    Kornev, Aleksei S.; Chernov, Vladislav E.; Zon, Boris A.

    2017-11-01

    We consider a type of light-dressing effect in molecules which is due to laser-induced deformation of molecules. We derive general formulas which describe the change of the equilibrium bond lengths, bending angles, and vibration frequencies for a polyatomic molecule. Up to the second-order terms in the field strength, the normal coordinates of the molecule are not changed. Explicit expressions for the change of the geometric parameters and vibration frequencies are found for a nonlinear triatomic molecule of the A2B type. These results are applied to calculation of the tunnel-ionization rates for H2O , H2O+ , and SO2 molecules, both in ac and dc fields. The main influence of the laser-induced deformation on the tunnel ionization is due to the changes in Franck-Condon factors, which are determined by overlap of the nuclei wave function of the molecule and its residual ion. In a laser field with an intensity of ˜1014W /cm2 , the contribution of the laser-dressing effect to the ionization rate is within 5% for H2O and H2O+ , while accounting for this effect changes the ionization rate of the SO2 molecule by up to 20 times depending on the molecule's orientation with respect to the electric-field vector. Such a large difference is due to the electronic structures of these molecules.

  17. Fluorescence spectroscopy of single molecules at room temperature and its applications

    Energy Technology Data Exchange (ETDEWEB)

    Ha, Taekjip [Univ. of California, Berkeley, CA (United States)

    1996-12-01

    We performed fluorescence spectroscopy of single and pairs of dye molecules on a surface at room temperature. Near field scanning optical microscope (NSOM) and far field scanning optical microscope with multi-color excitation/detection capability were built. The instrument is capable of optical imaging with 100nm resolution and has the sensitivity necessary for single molecule detection. A variety of dynamic events which cannot be observed from an ensemble of molecules is revealed when the molecules are probed one at a time. They include (1) spectral jumps correlated with dark states, (2) individually resolved quantum jumps to and from the meta-stable triplet state, (3) rotational jumps due to desorption/readsorption events of single molecules on the surface. For these studies, a computer controlled optical system which automatically and rapidly locates and performs spectroscopic measurements on single molecules was developed. We also studied the interaction between closely spaced pairs of molecules. In particular, fluorescence resonance energy transfer between a single resonant pair of donor and acceptor molecules was measured. Photodestruction dynamics of the donor or acceptor were used to determine the presence and efficiency of energy transfer Dual molecule spectroscopy was extended to a non-resonant pair of molecules to obtain high resolution differential distance information. By combining NSOM and dual color scheme, we studied the co-localization of parasite proteins and host proteins on a human red blood cell membrane infected with malaria. These dual-molecule techniques can be used to measure distances, relative orientations, and changes in distances/orientations of biological macromolecules with very good spatial, angular and temporal resolutions, hence opening new capabilities in the study of such systems.

  18. Proton affinities of hydrated molecules

    Science.gov (United States)

    Valadbeigi, Younes

    2016-09-01

    Proton affinities (PA) of non-hydrated, M, and hydrated forms, M(H2O)1,2,3, of 20 organic molecules including alcohols, ethers, aldehydes, ketones and amines were calculated by the B3LYP/6-311++G(d,p) method. For homogeneous families, linear correlations were observed between PAs of the M(H2O)1,2,3 and the PAs of the non-hydrated molecules. Also, the absolute values of the hydration enthalpies of the protonated molecules decreased linearly with the PAs. The correlation functions predicted that for an amine with PA amine with PA > 1100 kJ/mol the PA(M(H2O)) is smaller than the PA.

  19. Large scale study of multiple-molecule queries

    Directory of Open Access Journals (Sweden)

    Nasr Ramzi J

    2009-06-01

    Full Text Available Abstract Background In ligand-based screening, as well as in other chemoinformatics applications, one seeks to effectively search large repositories of molecules in order to retrieve molecules that are similar typically to a single molecule lead. However, in some case, multiple molecules from the same family are available to seed the query and search for other members of the same family. Multiple-molecule query methods have been less studied than single-molecule query methods. Furthermore, the previous studies have relied on proprietary data and sometimes have not used proper cross-validation methods to assess the results. In contrast, here we develop and compare multiple-molecule query methods using several large publicly available data sets and background. We also create a framework based on a strict cross-validation protocol to allow unbiased benchmarking for direct comparison in future studies across several performance metrics. Results Fourteen different multiple-molecule query methods were defined and benchmarked using: (1 41 publicly available data sets of related molecules with similar biological activity; and (2 publicly available background data sets consisting of up to 175,000 molecules randomly extracted from the ChemDB database and other sources. Eight of the fourteen methods were parameter free, and six of them fit one or two free parameters to the data using a careful cross-validation protocol. All the methods were assessed and compared for their ability to retrieve members of the same family against the background data set by using several performance metrics including the Area Under the Accumulation Curve (AUAC, Area Under the Curve (AUC, F1-measure, and BEDROC metrics. Consistent with the previous literature, the best parameter-free methods are the MAX-SIM and MIN-RANK methods, which score a molecule to a family by the maximum similarity, or minimum ranking, obtained across the family. One new parameterized method introduced in

  20. Technetium-aspirin molecule complexes

    Energy Technology Data Exchange (ETDEWEB)

    El-Shahawy, A.S.; Mahfouz, R.M.; Aly, A.A.M.; El-Zohry, M. (Assiut Univ. (Egypt))

    1993-01-01

    Technetium-aspirin and technetium-aspirin-like molecule complexes were prepared. The structure of N-acetylanthranilic acid (NAA) has been decided through CNDO calculations. The ionization potential and electron affinity of the NAA molecule as well as the charge densities were calculated. The electronic absorption spectra of Tc(V)-Asp and Tc(V)-ATS complexes have two characteristic absorption bands at 450 and 600 nm, but the Tc(V)-NAA spectrum has one characteristic band at 450 nm. As a comparative study, Mo-ATS complex was prepared and its electronic absorption spectrum is comparable with the Tc-ATS complex spectrum. (author).

  1. Exotic helium molecules; Molecules exotiques d'helium

    Energy Technology Data Exchange (ETDEWEB)

    Portier, M

    2007-12-15

    We study the photo-association of an ultracold cloud of magnetically trapped helium atoms: pairs of colliding atoms interact with one or two laser fields to produce a purely long range {sup 4}He{sub 2}(2{sup 3}S{sub 1}-2{sup 3}P{sub 0}) molecule, or a {sup 4}He{sub 2}(2{sup 3}S{sub 1}-2{sup 3}S{sub 1}) long range molecule. Light shifts in one photon photo-association spectra are measured and studied as a function of the laser polarization and intensity, and the vibrational state of the excited molecule. They result from the light-induced coupling between the excited molecule, and bound and scattering states of the interaction between two metastable atoms. Their analysis leads to the determination of the scattering length a = (7.2 {+-} 0.6) ruling collisions between spin polarized atoms. The two photon photo-association spectra show evidence of the production of polarized, long-range {sup 4}He{sub 2}(2{sup 3}S{sub 1}-2{sup 3}S{sub 1}) molecules. They are said to be exotic as they are made of two metastable atoms, each one carrying a enough energy to ionize the other. The corresponding lineshapes are calculated and decomposed in sums and products of Breit-Wigner and Fano profiles associated to one and two photon processes. The experimental spectra are fit, and an intrinsic lifetime {tau} = (1.4 {+-} 0.3) {mu}s is deduced. It is checked whether this lifetime could be limited by spin-dipole induced Penning autoionization. This interpretation requires that there is a quasi-bound state close to the dissociation threshold in the singlet interaction potential between metastable helium atoms for the theory to match the experiment. (author)

  2. Spatial and Orientational Structure of the Hydration Shell of Benzene in Sub- and Supercritical Water.

    Science.gov (United States)

    Choudhary, Ashu; Chandra, Amalendu

    2015-07-09

    The spatial and orientational structure of the solvation shell of benzene in sub- and supercritical water are investigated by means of molecular dynamics simulations. The present study reveals different local organization of water molecules at different parts of the solute. The π-hydrogen-bonding between benzene and water along the axial direction is found to exist even at supercritical conditions although to a reduced extent. The coordination number of benzene decreases substantially on increase of temperature and decrease of density. While the π-hydrogen-bonded part in the axial region shows a slight expansion, the hydrophobically solvated part in the equatorial plane shows an opposite behavior as the temperature is increased from normal to the supercritical temperature. Two other distribution functions, namely the radial/angular and spatial orientational functions (SOFs) are calculated to explore the spatially resolved angular preferences of water molecules around the benzene solute. Water molecules located axial to the benzene are found to have strong inward orientation toward the solute, however an opposite behavior is found in the equatorial region. Although at supercritical conditions, the orientational distributions of water molecules are broadened, the preferential orientations in the axial and equatorial regions remain similar to that under ambient condition on average.

  3. Local orientational order in liquids revealed by resonant vibrational energy transfer.

    Science.gov (United States)

    Panman, M R; Shaw, D J; Ensing, B; Woutersen, S

    2014-11-14

    We demonstrate that local orientational ordering in a liquid can be observed in the decay of the vibrational anisotropy caused by resonant transfer of vibrational excitations between its constituent molecules. We show that the functional form of this decay is determined by the (distribution of) angles between the vibrating bonds of the molecules between which energy transfer occurs, and that the initial drop in the decay reflects the average angle between nearest neighbors. We use this effect to observe the difference in local orientational ordering in the two hydrogen-bonded liquids ethanol and N-methylacetamide.

  4. Evolutionary algorithms for the optimal laser control of molecular orientation

    Energy Technology Data Exchange (ETDEWEB)

    Atabek, Osman [Laboratoire de Photophysique Moleculaire du CNRS, Batiment 213, Campus d' Orsay, 91405 Orsay (France); Dion, Claude M [CERMICS, Ecole Nationale des Ponts et Chaussees, 6 and 8, avenue Blaise Pascal, cite Descartes, Champs-sur-Marne, 77455 Marne-la-Vallee (France); Yedder, Adel Ben Haj [CERMICS, Ecole Nationale des Ponts et Chaussees, 6 and 8, avenue Blaise Pascal, cite Descartes, Champs-sur-Marne, 77455 Marne-la-Vallee (France)

    2003-12-14

    In terms of optimal control, laser-induced molecular orientation is an optimization problem involving a global minimum search on a multi-dimensional surface function of varying parameters characterizing the laser pulse (frequency, peak intensity, temporal shape). Genetic algorithms, aiming at the optimization of different possible targets, may temporarily be trapped in a local minimum, before reaching the global one. A careful study of such local (robust) minima provides a key for the thorough interpretation of the orientation dynamics, in terms of basic mechanisms. Two targets are retained: the first, simple, one searching for an angle between molecular and laser polarization axes as close as possible to zero (orientation) at a given time; the second, hybrid, one combining the efficiency of orientation with its duration. Their respective roles are illustrated referring to two molecular systems, HCN and LiF, taken at a rigid rotor approximation level. A sudden and asymmetric laser pulse (provided by a frequency {omega} superposed on its second harmonic 2{omega} leads to the kick mechanism. The result is a very fast (as compared to the rotational period) angular momentum transfer to the molecule, that turns out to be responsible for an efficient orientation after the laser pulse is turned off.

  5. Oriented active shape models.

    Science.gov (United States)

    Liu, Jiamin; Udupa, Jayaram K

    2009-04-01

    Active shape models (ASM) are widely employed for recognizing anatomic structures and for delineating them in medical images. In this paper, a novel strategy called oriented active shape models (OASM) is presented in an attempt to overcome the following five limitations of ASM: 1) lower delineation accuracy, 2) the requirement of a large number of landmarks, 3) sensitivity to search range, 4) sensitivity to initialization, and 5) inability to fully exploit the specific information present in the given image to be segmented. OASM effectively combines the rich statistical shape information embodied in ASM with the boundary orientedness property and the globally optimal delineation capability of the live wire methodology of boundary segmentation. The latter characteristics allow live wire to effectively separate an object boundary from other nonobject boundaries with similar properties especially when they come very close in the image domain. The approach leads to a two-level dynamic programming method, wherein the first level corresponds to boundary recognition and the second level corresponds to boundary delineation, and to an effective automatic initialization method. The method outputs a globally optimal boundary that agrees with the shape model if the recognition step is successful in bringing the model close to the boundary in the image. Extensive evaluation experiments have been conducted by utilizing 40 image (magnetic resonance and computed tomography) data sets in each of five different application areas for segmenting breast, liver, bones of the foot, and cervical vertebrae of the spine. Comparisons are made between OASM and ASM based on precision, accuracy, and efficiency of segmentation. Accuracy is assessed using both region-based false positive and false negative measures and boundary-based distance measures. The results indicate the following: 1) The accuracy of segmentation via OASM is considerably better than that of ASM; 2) The number of landmarks

  6. Customizable Time-Oriented Visualizations

    DEFF Research Database (Denmark)

    Kuhail, Mohammad Amin; Pantazos, Kostas; Lauesen, Søren

    2012-01-01

    Most commercial visualization tools support an easy and quick creation of conventional time-oriented visualizations such as line charts, but customization is limited. In contrast, some academic visualization tools and programming languages support the creation of some customizable time-oriented v......Most commercial visualization tools support an easy and quick creation of conventional time-oriented visualizations such as line charts, but customization is limited. In contrast, some academic visualization tools and programming languages support the creation of some customizable time...

  7. Practising orientation identification improves orientation coding in V1 neurons.

    Science.gov (United States)

    Schoups, A; Vogels, R; Qian, N; Orban, G

    2001-08-02

    The adult brain shows remarkable plasticity, as demonstrated by the improvement in fine sensorial discriminations after intensive practice. The behavioural aspects of such perceptual learning are well documented, especially in the visual system. Specificity for stimulus attributes clearly implicates an early cortical site, where receptive fields retain fine selectivity for these attributes; however, the neuronal correlates of a simple visual discrimination task remained unidentified. Here we report electrophysiological correlates in the primary visual cortex (V1) of monkeys for learning orientation identification. We link the behavioural improvement in this type of learning to an improved neuronal performance of trained compared to naive neurons. Improved long-term neuronal performance resulted from changes in the characteristics of orientation tuning of individual neurons. More particularly, the slope of the orientation tuning curve that was measured at the trained orientation increased only for the subgroup of trained neurons most likely to code the orientation identified by the monkey. No modifications of the tuning curve were observed for orientations for which the monkey had not been trained. Thus training induces a specific and efficient increase in neuronal sensitivity in V1.

  8. Reaction dynamics of electronically excited alkali atoms with simple molecules

    Energy Technology Data Exchange (ETDEWEB)

    Weiss, P.S.; Mestdagh, J.; Schmidt, H.; Vernon, M.F. Covinsky, M.H.; Balko, B.A.; Lee, Y.T.

    1985-09-01

    The reactions of electronically excited sodium atoms with simple molecules have been studied in crossed molecular beams experiments. Electronically excited Na(3/sup 2/P/sub 3/2/,4/sup 2/D/sub 5/2/, and 5/sup 2/S/sub 1/2) were produced by optical pumping using single frequency dye lasers. The effects of the symmetry, and the orientation and alignment of the excited orbital on the chemical reactivity, and detailed information on the reaction dynamics were derived from measurements of the product angular and velocity distributions.

  9. Reaction dynamics of electronically excited alkali atoms with simpler molecules

    Science.gov (United States)

    Weiss, P. S.; Mestdagh, J. M.; Schmidt, H.; Vernon, M. F.; Covinsky, M. H.; Balko, B. A.; Lee, Y. T.

    1985-05-01

    The reactions of electronically excited sodium atoms with simple molecules have been studied in crossed molecular beams experiments. Electronically excited Na(3(2)P(sub 3/2), 4(2)D(sub 5/2), and 5(2)S(sub 1/2) were produced by optical pumping using single frequency dye lasers. The effects of the symmetry, and the orientation and alignment of the excited orbital on the chemical reactivity, and detailed information on the reaction dynamics were derived from measurements of the product angular and velocity distributions.

  10. Bio-inspired synthetic receptor molecules towards mimicry of vancomycin.

    Science.gov (United States)

    Monnee, M C; Brouwer, A J; Verbeek, L M; van Wageningen, A M; Liskamp, R M

    2001-06-18

    A 512-member library of bio-inspired synthetic receptor molecules was prepared featuring a triazacyclophane scaffold. The purpose of this scaffold was to orient three (identical) peptide 'binding arms' in order to mimic an antibiotic binding cavity as is present in the vancomycin antibiotics. The library was screened with D-Ala-D-Ala and D-Ala-D-Lac containing ligands, which are present in the cell wall precursors of pathogenic bacteria. Screening and validation led to identification of a synthetic receptor capable of binding these ligands.

  11. Femtosecond midinfrared study of aggregation behavior in aqueous solutions of amphiphilic molecules

    NARCIS (Netherlands)

    Petersen, C.; Bakulin, A.A.; Pavelyev, V.G.; Pshenichnikov, M.S.; Bakker, H.J.

    2010-01-01

    We study the spectral and orientational dynamics of HDO molecules in aqueous solutions of different concentrations of tertiary butyl alcohol (TBA) and trimethylamine-N-oxide (TMAO). The spectral dynamics is investigated with femtosecond two-dimensional infrared spectroscopy of the O-H stretch

  12. Paraffin molecule mobility in channel clathrates of urea on spectroscopic NMR relaxation data

    CERN Document Server

    Kriger, Y G; Chekhova, G N

    2001-01-01

    The temperature dependences of the protons spin-lattice relaxation time (T sub I) in the channel clathrates of urea with paraffins are measured. The data on the T sub I are interpreted within the frames of the model of the paraffins molecules and their fragments orientation in the clathrate channels. The dynamics peculiarities are connected with the disproportion effects of these compounds

  13. Random thoughts

    Science.gov (United States)

    ajansen; kwhitefoot; panteltje1; edprochak; sudhakar, the

    2014-07-01

    In reply to the physicsworld.com news story “How to make a quantum random-number generator from a mobile phone” (16 May, http://ow.ly/xFiYc, see also p5), which describes a way of delivering random numbers by counting the number of photons that impinge on each of the individual pixels in the camera of a Nokia N9 smartphone.

  14. Fascinating Organic Molecules from Nature

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 18; Issue 3. Fascinating Organic Molecules from Nature - Hunting with Poisoned Arrows: Story of Curare. N R Krishnaswamy C N Sundaresan. Series Article Volume 18 Issue 3 March 2013 pp 218-225 ...

  15. Ultrafast dynamics of single molecules.

    Science.gov (United States)

    Brinks, Daan; Hildner, Richard; van Dijk, Erik M H P; Stefani, Fernando D; Nieder, Jana B; Hernando, Jordi; van Hulst, Niek F

    2014-04-21

    The detection of individual molecules has found widespread application in molecular biology, photochemistry, polymer chemistry, quantum optics and super-resolution microscopy. Tracking of an individual molecule in time has allowed identifying discrete molecular photodynamic steps, action of molecular motors, protein folding, diffusion, etc. down to the picosecond level. However, methods to study the ultrafast electronic and vibrational molecular dynamics at the level of individual molecules have emerged only recently. In this review we present several examples of femtosecond single molecule spectroscopy. Starting with basic pump-probe spectroscopy in a confocal detection scheme, we move towards deterministic coherent control approaches using pulse shapers and ultra-broad band laser systems. We present the detection of both electronic and vibrational femtosecond dynamics of individual fluorophores at room temperature, showing electronic (de)coherence, vibrational wavepacket interference and quantum control. Finally, two colour phase shaping applied to photosynthetic light-harvesting complexes is presented, which allows investigation of the persistent coherence in photosynthetic complexes under physiological conditions at the level of individual complexes.

  16. Fascinating Organic Molecules from Nature

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 18; Issue 1. Fascinating Organic Molecules from Nature - Colours in Flight - Pigments from Bird Feathers and Butterfly Wings. N R Krishnaswamy C N Sundaresan. Series Article Volume 18 Issue 1 January 2013 pp 12-21 ...

  17. Fascinating Organic Molecules from Nature

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 17; Issue 10. Fascinating Organic Molecules from Nature - Some Exotic Red Pigments of Plant Origin. N R Krishnaswamy C N Sundaresan. Series Article Volume 17 Issue 10 October 2012 pp 928-942 ...

  18. Absorption characteristics of bacteriorhodopsin molecules

    Indian Academy of Sciences (India)

    The analytical expression for the absorption coefficient of BR film is applied to study the absorption characteristics of BR molecules in a typical laser system operating at funda- mental wavelength 514 nm. The experimental data available for the absorption coefficients of the levels B and M corresponding to the wavelength ...

  19. Electrostatics of Atoms and Molecules

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 7; Issue 2. Electrostatics of Atoms and Molecules. G Narahari Sastry. Book Review Volume 7 Issue 2 February 2002 pp 90-91. Fulltext. Click here to view fulltext PDF. Permanent link: http://www.ias.ac.in/article/fulltext/reso/007/02/0090-0091 ...

  20. Absorption characteristics of bacteriorhodopsin molecules

    Indian Academy of Sciences (India)

    The bacteriorhodopsin molecule absorbs light and undergoes a series of structural transformation following a well-defined photocycle. The complex photocycle is transformed to an equivalent level diagram by considering the lifetime of the intermediate states. Assuming that only and states are appreciably populated at ...

  1. Lighting the World with Molecules

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 14; Issue 8. Lighting the World with Molecules. S Ramasesha. General Article Volume 14 Issue 8 August 2009 pp 782-798. Fulltext. Click here to view fulltext PDF. Permanent link: http://www.ias.ac.in/article/fulltext/reso/014/08/0782-0798. Keywords.

  2. Fascinating Organic Molecules from Nature

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 18; Issue 7. Fascinating Organic Molecules from Nature - Sweet Stimulants of the Olfactory Nerves - Muscone, Civetone and Related Compounds. N R Krishnaswamy C N Sundaresan. Series Article Volume 18 Issue 7 July 2013 pp 673-683 ...

  3. Conformation-based signal transfer and processing at the single-molecule level.

    Science.gov (United States)

    Li, Chao; Wang, Zhongping; Lu, Yan; Liu, Xiaoqing; Wang, Li

    2017-11-01

    Building electronic components made of individual molecules is a promising strategy for the miniaturization and integration of electronic devices. However, the practical realization of molecular devices and circuits for signal transmission and processing at room temperature has proven challenging. Here, we present room-temperature intermolecular signal transfer and processing using SnCl 2 Pc molecules on a Cu(100) surface. The in-plane orientations of the molecules are effectively coupled via intermolecular interaction and serve as the information carrier. In the coupled molecular arrays, the signal can be transferred from one molecule to another in the in-plane direction along predesigned routes and processed to realize logical operations. These phenomena enable the use of molecules displaying intrinsic bistable states as complex molecular devices and circuits with novel functions.

  4. External field control of spin-dependent rotational decoherence of ultracold polar molecules

    CERN Document Server

    Petrov, Alexander; Kotochigova, Svetlana

    2013-01-01

    We determine trapping conditions for ultracold polar molecules, where pairs of internal states experience identical trapping potentials. Such conditions could ensure that detrimental effects of inevitable inhomogeneities across an ultracold sample are significantly reduced. In particular, we investigate the internal rovibronic and hyperfine quantum states of ultracold fermionic ground-state $^{40}$K$^{87}$Rb polar molecules, when static magnetic, static electric, and trapping laser fields are simultaneously applied. Understanding the effect of changing the relative orientation or polarization of these three fields is of crucial importance for creation of decoherence-free subspaces built from two or more rovibronic states. Moreover, we evaluate the induced dipole moment of the molecule in the presence of these fields, which will allow control of interactions between molecules in different sites of an optical lattice and study the influence of the interaction anisotropy on the ability to entangle polar molecule...

  5. The reinforcing effect of a firm's customer orientation and supply-base orientation on performance

    NARCIS (Netherlands)

    Ziggers, Gerrit Willem; Henseler, Jörg

    2016-01-01

    Although the merits of maintaining strategic orientations such as customer orientation and supply-base orientation have been discussed in the literature, there is relatively little understanding of how these strategic orientations interrelate. Drawing on dynamic capability theory, this study

  6. Object-Oriented Type Systems

    DEFF Research Database (Denmark)

    Schwartzbach, Michael Ignatieff; Palsberg, Jens

    a type system that generalizes and explains them. The theory is based on an idealized object-oriented language called BOPL (Basic Object Programming Language), containing common features of the above languages. A type system, type inference algorithm, and typings of inheritance and genericity...... are provided for BOPL. Throughout, the results are related to the languages on which BOPL is based. This text offers advanced undergraduates and professional software developers a sound understanding of the key aspects of object-oriented type systems. All algorithms are implemented in a freely available......Object-Oriented Type Systems Jens Palsberg and Michael I. Schwartzbach Aarhus University, Denmark Type systems are required to ensure reliability and efficiency of software. For object-oriented languages, typing is an especially challenging problem because of inheritance, assignment, and late...

  7. Object-Oriented Type Systems

    DEFF Research Database (Denmark)

    Schwartzbach, Michael Ignatieff; Palsberg, Jens

    are provided for BOPL. Throughout, the results are related to the languages on which BOPL is based. This text offers advanced undergraduates and professional software developers a sound understanding of the key aspects of object-oriented type systems. All algorithms are implemented in a freely available......Object-Oriented Type Systems Jens Palsberg and Michael I. Schwartzbach Aarhus University, Denmark Type systems are required to ensure reliability and efficiency of software. For object-oriented languages, typing is an especially challenging problem because of inheritance, assignment, and late...... a type system that generalizes and explains them. The theory is based on an idealized object-oriented language called BOPL (Basic Object Programming Language), containing common features of the above languages. A type system, type inference algorithm, and typings of inheritance and genericity...

  8. Experimental Object-Oriented Modelling

    DEFF Research Database (Denmark)

    Hansen, Klaus Marius

    and discuss techniques for handling and representing uncertainty when modelling in experimental system development. These techniques are centred on patterns and styles for handling uncertainty in object-oriented software architectures. Tools We present the Knight tool designed for collaborative modelling......This thesis examines object-oriented modelling in experimental system development. Object-oriented modelling aims at representing concepts and phenomena of a problem domain in terms of classes and objects. Experimental system development seeks active experimentation in a system development project...... through, e.g., technical prototyping and active user involvement. We introduce and examine “experimental object-oriented modelling” as the intersection of these practices. The contributions of this thesis are expected to be within three perspectives on models and modelling in experimental system...

  9. Implementation-Oriented Secure Architectures

    National Research Council Canada - National Science Library

    Conte de Leon, Daniel; Alves-Foss, Jim; Oman, Paul W

    2006-01-01

    .... This framework is composed of an implementation-oriented formalization of a system's architecture, which we call the formal implementation model, along with a method for the construction of a system...

  10. Object-Oriented Type Systems

    DEFF Research Database (Denmark)

    Schwartzbach, Michael Ignatieff; Palsberg, Jens

    a type system that generalizes and explains them. The theory is based on an idealized object-oriented language called BOPL (Basic Object Programming Language), containing common features of the above languages. A type system, type inference algorithm, and typings of inheritance and genericity......Object-Oriented Type Systems Jens Palsberg and Michael I. Schwartzbach Aarhus University, Denmark Type systems are required to ensure reliability and efficiency of software. For object-oriented languages, typing is an especially challenging problem because of inheritance, assignment, and late...... are provided for BOPL. Throughout, the results are related to the languages on which BOPL is based. This text offers advanced undergraduates and professional software developers a sound understanding of the key aspects of object-oriented type systems. All algorithms are implemented in a freely available...

  11. The spontaneous synchronized dance of pairs of water molecules

    Energy Technology Data Exchange (ETDEWEB)

    Roncaratti, Luiz F. [Dipartimento di Chimica, Biologia e Biotecnologie, Università degli Studi di Perugia, 06123 Perugia (Italy); Instituto de Física, Universidade de Brasília, 70910-900 Brasília (Brazil); Cappelletti, David, E-mail: david.cappelletti@unipg.it; Pirani, Fernando [Dipartimento di Chimica, Biologia e Biotecnologie, Università degli Studi di Perugia, 06123 Perugia (Italy)

    2014-03-28

    Molecular beam scattering experiments have been performed to study the effect of long-range anisotropic forces on the collision dynamics of two small polar molecules. The main focus of this paper is on water, but also ammonia and hydrogen sulphide molecules have been investigated, and some results will be anticipated. The intermolecular distances mainly probed are of the order of 1 nm and therefore much larger than the molecular dimensions. In particular, we have found that the natural electric field gradient, generated by different spatial orientations of the permanent electric dipoles, is able to promote the transformation of free rotations into coupled pendular states, letting the molecular partners involved in the collision complex swinging to and fro around the field direction. This long-ranged concerted motion manifested itself as large increases of the magnitude of the total integral cross section. The experimental findings and the theoretical treatment developed to shed light on the details of the process suggest that the transformation from free rotations to pendular states depends on the rotational level of both molecules, on the impact parameter, on the relative collision velocity, on the dipole moment product and occurs in the time scale of picoseconds. The consequences of this intriguing phenomenon may be important for the interpretation and, in perspective, for the control of elementary chemical and biological processes, given by polar molecules, ions, and free radicals, occurring in several environments under various conditions.

  12. The spontaneous synchronized dance of pairs of water molecules

    Science.gov (United States)

    Roncaratti, Luiz F.; Cappelletti, David; Pirani, Fernando

    2014-03-01

    Molecular beam scattering experiments have been performed to study the effect of long-range anisotropic forces on the collision dynamics of two small polar molecules. The main focus of this paper is on water, but also ammonia and hydrogen sulphide molecules have been investigated, and some results will be anticipated. The intermolecular distances mainly probed are of the order of 1 nm and therefore much larger than the molecular dimensions. In particular, we have found that the natural electric field gradient, generated by different spatial orientations of the permanent electric dipoles, is able to promote the transformation of free rotations into coupled pendular states, letting the molecular partners involved in the collision complex swinging to and fro around the field direction. This long-ranged concerted motion manifested itself as large increases of the magnitude of the total integral cross section. The experimental findings and the theoretical treatment developed to shed light on the details of the process suggest that the transformation from free rotations to pendular states depends on the rotational level of both molecules, on the impact parameter, on the relative collision velocity, on the dipole moment product and occurs in the time scale of picoseconds. The consequences of this intriguing phenomenon may be important for the interpretation and, in perspective, for the control of elementary chemical and biological processes, given by polar molecules, ions, and free radicals, occurring in several environments under various conditions.

  13. Security for service oriented architectures

    CERN Document Server

    Williams, Walter

    2014-01-01

    Although integrating security into the design of applications has proven to deliver resilient products, there are few books available that provide guidance on how to incorporate security into the design of an application. Filling this need, Security for Service Oriented Architectures examines both application and security architectures and illustrates the relationship between the two. Supplying authoritative guidance on how to design distributed and resilient applications, the book provides an overview of the various standards that service oriented and distributed applications leverage, includ

  14. Rotational Dynamics of Quantum State-Selected Symmetric-Top Molecules in Nonresonant Femtosecond Laser Fields.

    Science.gov (United States)

    Luo, Sizuo; Hu, Wenhui; Yu, Jiaqi; Zhu, Ruihan; He, Lanhai; Li, Xiaokai; Ma, Pan; Wang, Chuncheng; Liu, Fuchun; Roeterdink, Wim G; Stolte, Steven; Ding, Dajun

    2017-02-02

    Rotational dynamics of quantum state selected and unselected CH3I molecules in intense femtosecond laser fields has been studied. The orientation and alignment evolutions are derived from a pump-probe measurement and in good agreement with the numerical results from the time-dependent Schrödinger equation (TDSE) calculation. The different rotational transitions through nonresonant Raman process have been assigned from the Fourier analysis of the orientation and alignment revivals. These revivals are derived from a pump-probe measurement and in good agreement with the numerical results from the TDSE calculation. For the molecules in rotational state |1, ±1, ∓1⟩, the transitions can be assigned to ΔJ = ±1, ±2, while for thermally populated molecules, the transitions are ΔJ = ±2. Our results illustrate that the orientation and alignment revivals of the rotational quantum-state-selected molecules give a deep insight into the rotational excitation pathways for the transition of different rotational states of molecules in ultrafast laser fields.

  15. Task-oriented rehabilitation robotics.

    Science.gov (United States)

    Schweighofer, Nicolas; Choi, Younggeun; Winstein, Carolee; Gordon, James

    2012-11-01

    Task-oriented training is emerging as the dominant and most effective approach to motor rehabilitation of upper extremity function after stroke. Here, the authors propose that the task-oriented training framework provides an evidence-based blueprint for the design of task-oriented robots for the rehabilitation of upper extremity function in the form of three design principles: skill acquisition of functional tasks, active participation training, and individualized adaptive training. The previous robotic systems that incorporate elements of task-oriented trainings are then reviewed. Finally, the authors critically analyze their own attempt to design and test the feasibility of a TOR robot, ADAPT (Adaptive and Automatic Presentation of Tasks), which incorporates the three design principles. Because of its task-oriented training-based design, ADAPT departs from most other current rehabilitation robotic systems: it presents realistic functional tasks in which the task goal is constantly adapted, so that the individual actively performs doable but challenging tasks without physical assistance. To maximize efficacy for a large clinical population, the authors propose that future task-oriented robots need to incorporate yet-to-be developed adaptive task presentation algorithms that emphasize acquisition of fine motor coordination skills while minimizing compensatory movements.

  16. Orientation selective deep brain stimulation

    Science.gov (United States)

    Lehto, Lauri J.; Slopsema, Julia P.; Johnson, Matthew D.; Shatillo, Artem; Teplitzky, Benjamin A.; Utecht, Lynn; Adriany, Gregor; Mangia, Silvia; Sierra, Alejandra; Low, Walter C.; Gröhn, Olli; Michaeli, Shalom

    2017-02-01

    Objective. Target selectivity of deep brain stimulation (DBS) therapy is critical, as the precise locus and pattern of the stimulation dictates the degree to which desired treatment responses are achieved and adverse side effects are avoided. There is a clear clinical need to improve DBS technology beyond currently available stimulation steering and shaping approaches. We introduce orientation selective neural stimulation as a concept to increase the specificity of target selection in DBS. Approach. This concept, which involves orienting the electric field along an axonal pathway, was tested in the corpus callosum of the rat brain by freely controlling the direction of the electric field on a plane using a three-electrode bundle, and monitoring the response of the neurons using functional magnetic resonance imaging (fMRI). Computational models were developed to further analyze axonal excitability for varied electric field orientation. Main results. Our results demonstrated that the strongest fMRI response was observed when the electric field was oriented parallel to the axons, while almost no response was detected with the perpendicular orientation of the electric field relative to the primary fiber tract. These results were confirmed by computational models of the experimental paradigm quantifying the activation of radially distributed axons while varying the primary direction of the electric field. Significance. The described strategies identify a new course for selective neuromodulation paradigms in DBS based on axonal fiber orientation.

  17. Lunar orientation in a beetle.

    Science.gov (United States)

    Dacke, Marie; Byrne, Marcus J.; Scholtz, Clarke H.; Warrant, Eric J.

    2004-01-01

    Many animals use the sun's polarization pattern to orientate, but the dung beetle Scarabaeus zambesianus is the only animal so far known to orientate using the million times dimmer polarization pattern of the moonlit sky. We demonstrate the relative roles of the moon and the nocturnal polarized-light pattern for orientation. We find that artificially changing the position of the moon, or hiding the moon's disc from the beetle's field of view, generally did not influence its orientation performance. We thus conclude that the moon does not serve as the primary cue for orientation. The effective cue is the polarization pattern formed around the moon, which is more reliable for orientation. Polarization sensitivity ratios in two photoreceptors in the dorsal eye were found to be 7.7 and 12.9, similar to values recorded in diurnal navigators. These results agree with earlier results suggesting that the detection and analysis of polarized skylight is similar in diurnal and nocturnal insects. PMID:15101694

  18. Orientation-Dependent C60 Electronic Structures Revealed byPhotoemission Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Brouet, V.; Yang, W.L.; Zhou, X.J.; Choi, H.J.; Louie, S.G.; Cohen, M.L.; Goldoni, A.; Parmigiani, F.; Hussain, Z.; Shen, Z.X.

    2004-11-05

    We observe, with angle-resolved photoemission, a dramatic change in the electronic structure of two C60 monolayers, deposited,respectively, on Ag (111) and (100) substrates, and similarly doped with potassium to half filling of the C60 lowest unoccupied molecular orbital.The Fermi surface symmetry, the bandwidth, and the curvature of the dispersion at Gamma point are different. Orientations of the C60molecules on the two substrates are known to be the main structural difference between the two monolayers, and we present new band-structure calculations for some of these orientations. We conclude that orientations play a key role in the electronic structure of fullerides.

  19. Off-resonant vibrational excitation: Orientational dependence and spatial control of photofragments

    DEFF Research Database (Denmark)

    Machholm, Mette; Henriksen, Niels Engholm

    2000-01-01

    -dependent response to the IR fields is due to the anharmonicity of the potential. A subsequent ultraviolet laser pulse in resonance at the outer turning point of the vibrational motion can then dissociate the oscillating molecules, all with the same orientation, leading to spatial control of the photofragment......Off-resonant and resonant vibrational excitation with short intense infrared (IR) laser pulses creates localized oscillating wave packets, but differs by the efficiency of the excitation and surprisingly by the orientational dependence. Orientational selectivity of the vibrational excitation...

  20. Field-free molecular orientation by delayed elliptically polarised laser pulses

    Science.gov (United States)

    Maan, Anjali; Tyagi, Ashish; Prasad, Vinod

    2018-01-01

    A theoretical model of NAREX (non-adiabatic rotational excitation) and field-free molecular orientation by a short specific elliptically polarised laser pulses (EPLPs) driving a polar molecule is presented. By choosing the proper value of elliptically polarised field parameters, efficient field-free orientation could be achieved. It is demonstrated that NAREX can be controlled by various laser parameters, out of which pulse shape plays the most significant role. The effect of elliptic parameter on the rotational excitation and orientation dynamics is also under concern.

  1. Current-induced switching of magnetic molecules on topological insulator surfaces

    Science.gov (United States)

    Locane, Elina; Brouwer, Piet W.

    2017-03-01

    Electrical currents at the surface or edge of a topological insulator are intrinsically spin polarized. We show that such surface or edge currents can be used to switch the orientation of a molecular magnet weakly coupled to the surface or edge of a topological insulator. For the edge of a two-dimensional topological insulator as well as for the surface of a three-dimensional topological insulator the application of a well-chosen surface or edge current can lead to a complete polarization of the molecule if the molecule's magnetic anisotropy axis is appropriately aligned with the current direction. For a generic orientation of the molecule a nonzero but incomplete polarization is obtained. We calculate the probability distribution of the magnetic states and the switching rates as a function of the applied current.

  2. Reorientation-induced spectral diffusion of non-isotropic orientation distributions

    Science.gov (United States)

    Ren, Zhe; Garrett-Roe, Sean

    2017-10-01

    When reorientation of a vibrational chromophore is faster than the relaxation of its local environment, the frequency fluctuation correlation function (FFCF) measured by two-dimensional infrared spectroscopy (2D-IR) spectroscopy is an interplay of scalar structural spectral diffusion and vectorial reorientation-induced spectral diffusion (RISD). Theory has been established to calculate the RISD component of different polarization configurations with the assumption that the molecule orients randomly in a local electric field. We show here that in the [BMIM][SCN]/AOT/chlorobenzene system, where the local electric field is strong, this assumption is incapable of reproducing the experimental results. We modify the current theory by assuming a Boltzmann distribution of transition dipoles of the chromophores in a local electric field and use a Markov chain model to calculate the RISD component of 2D-IR with different polarization configurations. The result reproduces key features of the experiment and suggests a potential ion-exchange in the [BMIM][SCN]/AOT/chlorobenzene system.

  3. Universal randomness

    Energy Technology Data Exchange (ETDEWEB)

    Dotsenko, Viktor S [Landau Institute for Theoretical Physics, Russian Academy of Sciences, Moscow (Russian Federation)

    2011-03-31

    In the last two decades, it has been established that a single universal probability distribution function, known as the Tracy-Widom (TW) distribution, in many cases provides a macroscopic-level description of the statistical properties of microscopically different systems, including both purely mathematical ones, such as increasing subsequences in random permutations, and quite physical ones, such as directed polymers in random media or polynuclear crystal growth. In the first part of this review, we use a number of models to examine this phenomenon at a simple qualitative level and then consider the exact solution for one-dimensional directed polymers in a random environment, showing that free energy fluctuations in such a system are described by the universal TW distribution. The second part provides detailed appendix material containing the necessary mathematical background for the first part. (reviews of topical problems)

  4. Ballonet String Model of Molecules

    Directory of Open Access Journals (Sweden)

    Gavril NIAC

    2008-06-01

    Full Text Available Strings of ballonets, modelling rows of orbitals, are assembled to molecule models by crossing them properly. The ballonets at the ends of the strings of 2, 3, 4 or 5 spheres represent bonding orbitals of hydrogen with other elements like C, N or O (the proton being inside the sphere, as well as nonbonding orbitals. The ballonets between them are modelling bonding orbitals among elements other than hydrogen - except the double bond in diborane, the atomic cores laying at the junction of two or more spheres.Advantages of elastic sphere models range from self-adjusting bond angles to resistance when closing cycles like cyclopropane or modeling double bonds.Examples comprise alkanes, including platonic hydrocarbons, ethene, acetylene, and some inorganic molecules.

  5. Single-molecule magnet engineering

    DEFF Research Database (Denmark)

    Pedersen, Kasper Steen; Bendix, Jesper; Clérac, Rodolphe

    2014-01-01

    Tailoring the specific magnetic properties of any material relies on the topological control of the constituent metal ion building blocks. Although this general approach does not seem to be easily applied to traditional inorganic bulk magnets, coordination chemistry offers a unique tool...... to delicately tune, for instance, the properties of molecules that behave as "magnets", the so-called single-molecule magnets (SMMs). Although many interesting SMMs have been prepared by a more or less serendipitous approach, the assembly of predesigned, isolatable molecular entities into higher nuclearity...... complexes constitutes an elegant and fascinating strategy. This Feature article focuses on the use of building blocks or modules (both terms being used indiscriminately) to direct the structure, and therefore also the magnetic properties, of metal ion complexes exhibiting SMM behaviour. This journal is...

  6. Tunneling Ionization of Diatomic Molecules

    DEFF Research Database (Denmark)

    Svensmark, Jens Søren Sieg

    2016-01-01

    When a molecule is subject to a strong laser field, there is a probability that an electron can escape, even though the electrons are bound by a large potential barrier. This is possible because electrons are quantum mechanical in nature, and they are therefore able to tunnel through potential...... barriers, an ability classical particles do not possess. Tunnelling is a fundamental quantum mechanical process, a process that is distinctly non-classical, so solving this tunnelling problem is not only relevant for molecular physics, but also for quantum theory in general. In this dissertation the theory...... of tunneling ionizaion of molecules is presented and the results of numerical calculations are shown. One perhaps surprising result is, that the frequently used Born-Oppenheimer approximation breaks down for weak fields when describing tunneling ionization. An analytic theory applicable in the weak-field limit...

  7. Electrondriven processes in polyatomic molecules

    Energy Technology Data Exchange (ETDEWEB)

    McKoy, Vincent [California Inst. of Technology (CalTech), Pasadena, CA (United States)

    2017-03-20

    This project developed and applied scalable computational methods to obtain information about low-energy electron collisions with larger polyatomic molecules. Such collisions are important in modeling radiation damage to living systems, in spark ignition and combustion, and in plasma processing of materials. The focus of the project was to develop efficient methods that could be used to obtain both fundamental scientific insights and data of practical value to applications.

  8. Cellular Adhesion and Adhesion Molecules

    OpenAIRE

    SELLER, Zerrin

    2014-01-01

    In recent years, cell adhesion and cell adhesion molecules have been shown to be important for many normal biological processes, including embryonic cell migration, immune system functions and wound healing. It has also been shown that they contribute to the pathogenesis of a large number of common human disorders, such as rheumatoid arthritis and tumor cell metastasis in cancer. In this review, the basic mechanisms of cellular adhesion and the structural and functional features of adhes...

  9. Optical highlighter molecules in neurobiology.

    Science.gov (United States)

    Datta, Sandeep Robert; Patterson, George H

    2012-02-01

    The development of advanced optical methods has played a key role in propelling progress in neurobiology. Genetically-encoded fluorescent molecules found in nature have enabled labeling of individual neurons to study their physiology and anatomy. Here we discuss the recent use of both native and synthetic optical highlighter proteins to address key problems in neurobiology, including questions relevant to synaptic function, neuroanatomy, and the organization of neural circuits. Copyright © 2011 Elsevier Ltd. All rights reserved.

  10. Random triangles

    OpenAIRE

    Matula, Dominik

    2013-01-01

    The author summarizes some previous results concerning random triangles. He describes the Gaussian triangle and random triangles whose vertices lie in a unit n-dimensional ball, in a rectangle or in a general bounded convex set. In the second part, the author deals with an inscribed triangle in a triangle - let ABC be an equilateral triangle and let M, N, O be three points, each laying on one side of the ABC. We call MNO inscribed triangle (in an equi- laterral triangle). The median triangle ...

  11. Random matrices

    CERN Document Server

    Mehta, Madan Lal

    1990-01-01

    Since the publication of Random Matrices (Academic Press, 1967) so many new results have emerged both in theory and in applications, that this edition is almost completely revised to reflect the developments. For example, the theory of matrices with quaternion elements was developed to compute certain multiple integrals, and the inverse scattering theory was used to derive asymptotic results. The discovery of Selberg's 1944 paper on a multiple integral also gave rise to hundreds of recent publications. This book presents a coherent and detailed analytical treatment of random matrices, leading

  12. Biofunctionalization of nonwoven complex oriented scaffolds with distinct differentiation molecules for the directed tissue regeneration

    Science.gov (United States)

    Antonova, L. V.; Krivkina, E. O.; Sergeeva, E. A.; Sevostyanova, V. V.; Burago, A. Yu.; Burkov, N. N.; Hryachkova, O. N.; Velikanova, E. A.; Matveeva, V. G.; Kudryavtseva, Yu. A.; Barbarash, O. L.; Barbarash, L. S.

    2016-08-01

    In our research we tested electrospun scaffolds prepared from poly (3-hydroxybutyrate-co-3-hydroxyvalerate) (PHBV)/polycaprolactone (PCL) with and without the vascular endothelial growth factor (VEGF) and the stromal-derived growth factor-lα (SDF-lα). Chemoattractant activity of VEGF and SDF-lα was evaluated on an endothelial cell line EA.hy 926 using in vitro migration assay. Biocompatibility of the scaffolds was assessed by implanting them into the rat pericardial sac. After 4 days of culturing, we found that the number of cells migrated to the PHBV/PCL/VEGF and PHBV/PCL/SDF-lα scaffolds was 1.4 and 1.35-fold higher, respectively, compared to the PHBV/PCL scaffolds (p < 0.05). Implantation of the scaffolds for 3 months did not cause any local or systemic inflammatory reaction. Histological examination revealed active neoangiogenesis in the PHBV/PCL/VEGF scaffolds and adjacent tissues. In addition, we detected active cell infiltration and production of extracellular matrix in the PHBV/PCL/SDF-lα scaffolds. Therefore, VEGF and SDF-lα retained their bioactivity after being incorporated into the PHBV/PCL scaffolds. We suggest biofunctionalization of the PHBV/PCL scaffolds with VEGF and SDF-lα as an appropriate approach for regenerative medicine.

  13. Can we change sexual orientation?

    Science.gov (United States)

    Beckstead, A Lee

    2012-02-01

    The self-reports of individuals who claim that they have changed their sexual orientation are either dismissed as false or relied upon to promote sexual orientation change efforts. However, these reactions do not capture the complexity of the sexual reorientation phenomenon. This article provides an overview regarding the promise and effort of sexual reorientation and how this knowledge may inform our current understanding of human sexuality. Specifically, a brief history is given of the interventions used to change attractions to same-sex adults and the assumptions underlying these efforts. Information will be given regarding which conclusions can be derived from sexual reorientation studies. The limitations of these studies will be explained to strengthen future research. Hypotheses will be presented regarding the motivations and needs of those distressed by a same-sex erotic orientation and the impact that the hope of sexual reorientation may have for family members, religious leaders, and policy makers. A multivariate model of sexuality and sexual orientation, including scales of attraction and aversion, will be proposed based upon current understanding of sexuality and the distinctions found in sexual reorientation research. In the end, a therapeutic framework will be highlighted that may be used (and researched) to help those distressed by their sexual orientation.

  14. Subfilter scalar-flux vector orientation in homogeneous isotropic turbulence.

    Science.gov (United States)

    Verma, Siddhartha; Blanquart, G

    2014-06-01

    The geometric orientation of the subfilter-scale scalar-flux vector is examined in homogeneous isotropic turbulence. Vector orientation is determined using the eigenframe of the resolved strain-rate tensor. The Schmidt number is kept sufficiently large so as to leave the velocity field, and hence the strain-rate tensor, unaltered by filtering in the viscous-convective subrange. Strong preferential alignment is observed for the case of Gaussian and box filters, whereas the sharp-spectral filter leads to close to a random orientation. The orientation angle obtained with the Gaussian and box filters is largely independent of the filter width and the Schmidt number. It is shown that the alignment direction observed numerically using these two filters is predicted very well by the tensor-diffusivity model. Moreover, preferred alignment of the scalar gradient vector in the eigenframe is shown to mitigate any probable issues of negative diffusivity in the tensor-diffusivity model. Consequentially, the model might not suffer from solution instability when used for large eddy simulations of scalar transport in homogeneous isotropic turbulence. Further a priori tests indicate poor alignment of the Smagorinsky and stretched vortex model predictions with the exact subfilter flux. Finally, strong filter dependence of subfilter scalar-flux orientation suggests that explicit filtering may be preferable to implicit filtering in large eddy simulations.

  15. The influence of career orientations on subjective work experiences

    Directory of Open Access Journals (Sweden)

    Melinde Coetzee

    2010-03-01

    Full Text Available Orientation: In an increasingly turbulent business context in which people are less dependent on organisational career arrangements and have greater agency in career decisions, organisations have come to pay increasing attention to retaining valuable talented managerial potential.Research purpose: The study empirically assessed the causal influence of individuals’ career orientations on their perceived life satisfaction, job or career satisfaction, sense of happiness and their perceptions of work as a valuable activity as aspects of their subjective work experiences.Motivation for study: From an organisational perspective, research on individuals’ inner definitions of career success and satisfaction is needed to guide current selection, placement, development, reward and retention practices.Research design, approach and method: A quantitative survey was conducted on a random sample of 2997 participants at predominantly managerial and supervisory level in the service industry. The measuring instruments consisted of an adapted five-factor career orientations model of the Career Orientations Inventory and a 4-item global subjective work experiences scale. Structural equation modelling (SEM was conducted to achieve the aim of the study.Main findings/results: Statistically significant causal relationships were observed between the career orientations and subjective work experiences variables.Practical implications: Individuals’ career orientations influence their general sense of life and job or career satisfaction, happiness and perceptions of work as a valuable activity. Organisations concerned with the retention of staff need to find a way of aligning individuals’ career needs and motives with the goals and aspirations of the organisation.Contribution/value-add: The research confirms the need for assessing the inner career orientations of employees as these provide valuable information regarding the motives and values driving individuals

  16. Object-Oriented Type Systems

    DEFF Research Database (Denmark)

    Schwartzbach, Michael Ignatieff; Palsberg, Jens

    are provided for BOPL. Throughout, the results are related to the languages on which BOPL is based. This text offers advanced undergraduates and professional software developers a sound understanding of the key aspects of object-oriented type systems. All algorithms are implemented in a freely available......Object-Oriented Type Systems Jens Palsberg and Michael I. Schwartzbach Aarhus University, Denmark Type systems are required to ensure reliability and efficiency of software. For object-oriented languages, typing is an especially challenging problem because of inheritance, assignment, and late...... binding. Existing languages employ different type systems, and it can be difficult to compare, evaluate and improve them, since there is currently no uniform theory for such languages. This book provides such a theory. The authors review the type systems of Simula, Smalltalk, C++ and Eiffel and present...

  17. Object-Oriented Type Systems

    DEFF Research Database (Denmark)

    Schwartzbach, Michael Ignatieff; Palsberg, Jens

    Object-Oriented Type Systems Jens Palsberg and Michael I. Schwartzbach Aarhus University, Denmark Type systems are required to ensure reliability and efficiency of software. For object-oriented languages, typing is an especially challenging problem because of inheritance, assignment, and late...... binding. Existing languages employ different type systems, and it can be difficult to compare, evaluate and improve them, since there is currently no uniform theory for such languages. This book provides such a theory. The authors review the type systems of Simula, Smalltalk, C++ and Eiffel and present...... a type system that generalizes and explains them. The theory is based on an idealized object-oriented language called BOPL (Basic Object Programming Language), containing common features of the above languages. A type system, type inference algorithm, and typings of inheritance and genericity...

  18. Value orientations of preservice teachers.

    Science.gov (United States)

    Solmon, M A; Ashy, M H

    1995-09-01

    Curriculum theorists have acknowledged the critical role that beliefs and values play in the decisions that teachers make, but very little is known about how teachers' value profiles develop. The purpose of this investigation was to examine the educational value orientations of a group of physical education preservice teachers (N = 16) enrolled in an elementary methods course and to investigate the link between value profiles and teacher behaviors. Value profiles were assessed using the Value Orientation Inventory (Ennis & Hooper, 1988). The results indicated that teachers in training entered field-based experiences with defined value profiles, but that these profiles were not stable constructs. Priorities within competing value orientations fluctuated over the course of a semester. Possible explanations for the changes that occurred and implications for teacher education programs are discussed.

  19. Object-Oriented Type Systems

    DEFF Research Database (Denmark)

    Schwartzbach, Michael Ignatieff; Palsberg, Jens

    Object-Oriented Type Systems Jens Palsberg and Michael I. Schwartzbach Aarhus University, Denmark Type systems are required to ensure reliability and efficiency of software. For object-oriented languages, typing is an especially challenging problem because of inheritance, assignment, and late...... are provided for BOPL. Throughout, the results are related to the languages on which BOPL is based. This text offers advanced undergraduates and professional software developers a sound understanding of the key aspects of object-oriented type systems. All algorithms are implemented in a freely available...... binding. Existing languages employ different type systems, and it can be difficult to compare, evaluate and improve them, since there is currently no uniform theory for such languages. This book provides such a theory. The authors review the type systems of Simula, Smalltalk, C++ and Eiffel and present...

  20. Object-Oriented Type Systems

    DEFF Research Database (Denmark)

    Schwartzbach, Michael Ignatieff; Palsberg, Jens

    a type system that generalizes and explains them. The theory is based on an idealized object-oriented language called BOPL (Basic Object Programming Language), containing common features of the above languages. A type system, type inference algorithm, and typings of inheritance and genericity...... binding. Existing languages employ different type systems, and it can be difficult to compare, evaluate and improve them, since there is currently no uniform theory for such languages. This book provides such a theory. The authors review the type systems of Simula, Smalltalk, C++ and Eiffel and present......Object-Oriented Type Systems Jens Palsberg and Michael I. Schwartzbach Aarhus University, Denmark Type systems are required to ensure reliability and efficiency of software. For object-oriented languages, typing is an especially challenging problem because of inheritance, assignment, and late...

  1. Local orientational order in liquids revealed by resonant vibrational energy transfer

    NARCIS (Netherlands)

    Panman, M.R.; Shaw, D.J.; Ensing, B.; Woutersen, S.

    2014-01-01

    We demonstrate that local orientational ordering in a liquid can be observed in the decay of the vibrational anisotropy caused by resonant transfer of vibrational excitations between its constituent molecules. We show that the functional form of this decay is determined by the (distribution of)

  2. Statistical thermodynamics of fluids with orientation - dependent interactions : applications to water in homogeneous and heterogeneous systems

    NARCIS (Netherlands)

    Besseling, N.A.M.

    1993-01-01

    The aim of the present study was to develop a lattice theory for systems, homogeneous as well as heterogeneous, containing molecules with orientation- dependent interactions such as water. It was soon recognised that the so-called Bragg-Williams mean-field approximation is not capable of

  3. 36 CFR 13.1236 - Bear orientation.

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 1 2010-07-01 2010-07-01 false Bear orientation. 13.1236... Developed Area § 13.1236 Bear orientation. All persons visiting the BCDA must receive an NPS-approved Bear Orientation. Failure to receive an NPS-approved Bear Orientation is prohibited. ...

  4. The orienting response in information processing

    National Research Council Canada - National Science Library

    Sokolov, E. N

    2002-01-01

    ... Organization of Color Space 127 9. The Orienting Responseand Subjective Space I 141 10. The Orienting Responseand Subjective Space II 163vi CONTEiNTS 11. Orienting, Information, and Anticipation 189 12. Auditory Orienting Event-Related Response Potentials in the Study of the 241 13. Addendum: Processing Underlying Principles of Information 323 Glossar...

  5. Cancer survivorship and sexual orientation.

    Science.gov (United States)

    Boehmer, Ulrike; Miao, Xiaopeng; Ozonoff, Al

    2011-08-15

    Lesbian, gay, and bisexual populations are not part of cancer surveillance, resulting in scarce information about the cancer survivorship of these populations. To address this information gap, the authors examined the prevalence of cancer survivorship by sexual orientation and cancer survivors' self-reported health by sexual orientation. The authors explored these issues by analyzing pooled data from the California Health Interview survey from 2001, 2003, and 2005. By using descriptive statistics and logistic regressions, they examined the cancer prevalence in men and women by sexual orientation and subsequently compared the self-reported health of male and female cancer survivors by sexual orientation. Among women, the authors found no significant differences in cancer prevalence by sexual orientation, but lesbian and bisexual female cancer survivors had 2.0 and 2.3× the odds of reporting fair or poor health compared with heterosexual female cancer survivors. Among men, we found significant differences in cancer prevalence, with gay men having 1.9× the odds of reporting a cancer diagnosis compared with heterosexual men. There were no differences by sexual orientation in male cancer survivors' self-reported health. Our novel findings suggest sex differences in the impact of cancer on lesbian, gay, and bisexual cancer survivors. Lesbian and bisexual cancer survivors need to be targeted by programs and services to assist these cancer survivors in improving their health perceptions, whereas healthcare providers and public health agencies need to be made aware of the higher prevalence of cancer in gay men to prevent future cancers through increased screening and primary prevention. Copyright © 2011 American Cancer Society.

  6. [Temporal orientation and cognitive impairment].

    Science.gov (United States)

    Fernandez-Turrado, T; Pascual-Millan, L F; Aguilar-Palacio, I; Burriel-Rosello, A; Santolaria-Martinez, L; Perez-Lazaro, C

    2011-03-16

    Temporal orientation is a component of most screening tests for diagnosing cognitive impairment. Correct temporal orientation involves activating both semantic information (concepts of the calendar date) and episodic information (remembering the current date). The aim of this study was to assess the diagnostic usefulness of a technique for evaluating temporal orientation, which was open-ended, and scoring the semantic and episodic information thus generated (0-10 points). A total of 24 subjects without impairment, 77 patients with mild cognitive impairment (MCI) and 62 patients with dementia were evaluated by means of a 30-point mini-mental/mini-examination, semantic verbal fluency test, global deterioration scale, mini-mental-type temporal orientation and open-ended temporal orientation tests. The areas under the curve (aROC), sensitivity and specificity for dementia and cognitive impairment at any degree (MCI and dementia) were analysed. Open-ended temporal orientation presented a greater area under the curve (aROC: 0.90) for discrimination between patients with dementia and without dementia (MCI and without impairment) and an aROC of 0.83 for discrimination between patients with MCI or dementia and without impairment. For dementia, with a cut-off point equal to or below 6, sensitivity was 0.96 and specificity was 0.68, and for MCI with dementia, with a cut-off point equal to or below 7, sensitivity was 0.72 and specificity was 0.92. The usefulness, conciseness and strategic position of this technique in examining mental status make it suitable as an instrument for screening for cognitive impairment. It has a high level of sensitivity with low specificity for dementia and low sensitivity with high specificity for any degree of impairment.

  7. Anisotropy of chemical bonds in collagen molecules studied by X-ray absorption near-edge structure (XANES) spectroscopy.

    Science.gov (United States)

    Lam, Raymond S K; Metzler, Rebecca A; Gilbert, Pupa U P A; Beniash, Elia

    2012-03-16

    Collagen type I fibrils are the major building blocks of connective tissues. Collagen fibrils are anisotropic supramolecular structures, and their orientation can be revealed by polarized light microscopy and vibrational microspectroscopy. We hypothesized that the anisotropy of chemical bonds in the collagen molecules, and hence their orientation, might also be detected by X-ray photoemission electron spectromicroscopy (X-PEEM) and X-ray absorption near-edge structure (XANES) spectroscopy, which use linearly polarized synchrotron light. To test this hypothesis, we analyzed sections of rat-tail tendon, composed of parallel arrays of collagen fibrils. The results clearly indicate that XANES-PEEM is sensitive to collagen fibril orientation and, more specifically, to the orientations of carbonyl and amide bonds in collagen molecules. These data suggest that XANES-PEEM is a promising technique for characterizing the chemical composition and structural organization at the nanoscale of collagen-based connective tissues, including tendons, cartilage, and bone.

  8. From service-oriented architecture to service-oriented enterprise

    NARCIS (Netherlands)

    van Sinderen, Marten J.; Cordeiro, J.; Ivanov, I.; Shishkov, Boris

    2009-01-01

    Service-Oriented Architecture (SOA) was originally motivated by enterprise demands for better business-technology alignment and higher flexibility and reuse. SOA evolved from an initial set of ideas and principles to Web services (WS) standards now widely accepted by industry. The next phase of SOA

  9. Automated Orientation of Aerial Images

    DEFF Research Database (Denmark)

    Høhle, Joachim

    2002-01-01

    Methods for automated orientation of aerial images are presented. They are based on the use of templates, which are derived from existing databases, and area-based matching. The characteristics of available database information and the accuracy requirements for map compilation and orthoimage...... production are discussed on the example of Denmark. Details on the developed methods for interior and exterior orientation are described. Practical examples like the measurement of réseau images, updating of topographic databases and renewal of orthoimages are used to prove the feasibility of the developed...

  10. PHP Object-Oriented Solutions

    CERN Document Server

    Powers, David

    2008-01-01

    With the surge of popularity of PHP 5, and with PHP 6 just around the corner, Object-Oriented Programming is now an important consideration for PHP developers. This version-neutral book is a gentle introduction to Object-Oriented Programming (OOP) that won t overburden you with complex theory. It teaches you the essential basics of OOP that you ll need to know before moving onto a more advanced level, and includes a series of pre-packaged scripts that you can incorporate into your existing sites with the minimum of effort. It shows how OOP can be used to create reusable and portable code by wa

  11. Aspect-oriented programming evaluated

    CERN Document Server

    Kleinschmager, Sebastian

    2012-01-01

    Hauptbeschreibung Aspect-oriented-programming is a relatively new technique that has evolved on top of the already well-established approach of object-oriented programming. When it is used correctly, it promises to remove many redundant parts of a code that appear repeatedly in an application, essentially untangling the original code. Thus, it can lead to a cleaner, more separated software design, to greater modularity and maintainability. Time-savings in software engineering can also be huge cost-savings, and anything that increases software quality is a welcome sight in an industr

  12. NMR studies of molecules in liquid crystals and graphite

    Energy Technology Data Exchange (ETDEWEB)

    Rosen, M.E.

    1992-06-01

    NMR experiments to measure proton dipole couplings were performed on a series of n-alkanes (n-hexane through n-decane) dissolved in nematic liquid crystals. Computer modeling of the experimental NMR-spectra was done using several different models for intermolecular interactions in these systems. The model of Photinos et al. was found to be best in describing the intermolecular interactions in these systems and can provide a statistical picture of the conformation and orientation of the alkane molecules in their partially-oriented environment. Order parameters and conformational distributions for the alkanes can be calculated from the modeling. The alkanes are found to have conformational distributions very much like those found in liquid alkanes. Proton NMR spectra of tetrahydrofuran (THF) intercalated in two graphite intercalation compounds were also measured. Computer simulations of these spectra provide a picture of THF in the constrained environment between the graphene layers where the THF is oriented at a particular angle, can translate and rotate freely, but does not appear to pseudorotate.

  13. Continuum model for chiral induced spin selectivity in helical molecules

    Energy Technology Data Exchange (ETDEWEB)

    Medina, Ernesto [Centro de Física, Instituto Venezolano de Investigaciones Científicas, 21827, Caracas 1020 A (Venezuela, Bolivarian Republic of); Groupe de Physique Statistique, Institut Jean Lamour, Université de Lorraine, 54506 Vandoeuvre-les-Nancy Cedex (France); Department of Chemistry and Biochemistry, Arizona State University, Tempe, Arizona 85287 (United States); González-Arraga, Luis A. [IMDEA Nanoscience, Cantoblanco, 28049 Madrid (Spain); Finkelstein-Shapiro, Daniel; Mujica, Vladimiro [Department of Chemistry and Biochemistry, Arizona State University, Tempe, Arizona 85287 (United States); Berche, Bertrand [Centro de Física, Instituto Venezolano de Investigaciones Científicas, 21827, Caracas 1020 A (Venezuela, Bolivarian Republic of); Groupe de Physique Statistique, Institut Jean Lamour, Université de Lorraine, 54506 Vandoeuvre-les-Nancy Cedex (France)

    2015-05-21

    A minimal model is exactly solved for electron spin transport on a helix. Electron transport is assumed to be supported by well oriented p{sub z} type orbitals on base molecules forming a staircase of definite chirality. In a tight binding interpretation, the spin-orbit coupling (SOC) opens up an effective π{sub z} − π{sub z} coupling via interbase p{sub x,y} − p{sub z} hopping, introducing spin coupled transport. The resulting continuum model spectrum shows two Kramers doublet transport channels with a gap proportional to the SOC. Each doubly degenerate channel satisfies time reversal symmetry; nevertheless, a bias chooses a transport direction and thus selects for spin orientation. The model predicts (i) which spin orientation is selected depending on chirality and bias, (ii) changes in spin preference as a function of input Fermi level and (iii) back-scattering suppression protected by the SO gap. We compute the spin current with a definite helicity and find it to be proportional to the torsion of the chiral structure and the non-adiabatic Aharonov-Anandan phase. To describe room temperature transport, we assume that the total transmission is the result of a product of coherent steps.

  14. The Effects on Students’ Conceptual Understanding of Electric Circuits of Introducing Virtual Manipulatives Within a Physical Manipulatives-Oriented Curriculum

    NARCIS (Netherlands)

    Zacharia, Zacharias C.; de Jong, Anthonius J.M.

    2014-01-01

    This study investigates whether Virtual Manipulatives (VM) within a Physical Manipulatives (PM)-oriented curriculum affect conceptual understanding of electric circuits and related experimentation processes. A pre–post comparison study randomly assigned 194 undergraduates in an introductory physics

  15. Improving catalytic selectivity through control of adsorption orientation

    Science.gov (United States)

    Pang, Simon H.

    In this thesis, we present an investigation, starting from surface science experiments, leading to design of supported catalysts, of how adsorption orientation can be used to affect reaction selectivity of highly functional molecules. The surface chemistry of furfuryl alcohol and benzyl alcohol and their respective aldehydes was studied on a Pd(111) single-crystal surface under ultra-high vacuum conditions. Temperature-programmed desorption experiments showed that synergistic chemistry existed between the aromatic ring and the oxygen-containing functional group, each allowing the other to participate in reaction pathways that a monofunctional molecule could not. Most important of these was a deoxygenation reaction that occurred more readily when the surface was crowded by the highest exposures. High-resolution electron energy loss spectroscopy revealed that at these high exposures, molecules were oriented upright on the surface, with the aromatic function extending into vacuum. In contrast, at low exposures, molecules were oriented flat on the surface. The upright adsorption geometry was correlated with deoxygenation, whereas the flat-lying geometry was correlated with decarbonylation. The insight gained from surface science experiments was utilized in catalyst design. Self-assembled monolayers of alkanethiolates were used to systematically reduce the average surface ensemble size, and the reaction selectivity was tracked. When a sparsely-packed monolayer was used, such as one formed by 1-adamantanethiol, the reactant furfural was still able to lie flat on the surface and the reaction selectivity was similar to that of the uncoated catalyst. However, when a densely-packed monolayer, formed by 1-octadecanethiol, was used, furfural was not able to adsorb flat on the surface and instead adopted an upright conformation, leading to a drastic increase in aldehyde hydrogenation and hydrodeoxygenation reaction selectivity. Using an even higher sulfur coverage from a

  16. Azobenzene-functionalized cascade molecules

    DEFF Research Database (Denmark)

    Archut, A.; Vogtle, F.; De Cola, L.

    1998-01-01

    Cascade molecules bearing up to 32 azobenzene groups in the periphery have been prepared from poly(propylene imine) dendrimers and N-hydroxysuccinimide esters. The dendritic azobenzene species show similar isomerization properties as the corresponding azobenzene monomers. The all-E azobenzene...... shows there is so far no effective steric constraint towards photoisomerism on increasing dimension (generation) of the dendrimer, The first attempts to use dendrimers for holography materials are described: It is shown that holographic gratings with diffraction efficiencies up to about 20 % can...

  17. The molecule-metal interface

    CERN Document Server

    Koch, Norbert; Wee, Andrew Thye Shen

    2013-01-01

    Reviewing recent progress in the fundamental understanding of the molecule-metal interface, this useful addition to the literature focuses on experimental studies and introduces the latest analytical techniques as applied to this interface.The first part covers basic theory and initial principle studies, while the second part introduces readers to photoemission, STM, and synchrotron techniques to examine the atomic structure of the interfaces. The third part presents photoelectron spectroscopy, high-resolution UV photoelectron spectroscopy and electron spin resonance to study the electroni

  18. XUV ionization of aligned molecules

    Energy Technology Data Exchange (ETDEWEB)

    Kelkensberg, F.; Siu, W.; Gademann, G. [FOM Institute AMOLF, Science Park 104, NL-1098 XG Amsterdam (Netherlands); Rouzee, A.; Vrakking, M. J. J. [FOM Institute AMOLF, Science Park 104, NL-1098 XG Amsterdam (Netherlands); Max-Born-Institut, Max-Born Strasse 2A, D-12489 Berlin (Germany); Johnsson, P. [FOM Institute AMOLF, Science Park 104, NL-1098 XG Amsterdam (Netherlands); Department of Physics, Lund University, Post Office Box 118, SE-221 00 Lund (Sweden); Lucchini, M. [Department of Physics, Politecnico di Milano, Istituto di Fotonica e Nanotecnologie CNR-IFN, Piazza Leonardo da Vinci 32, 20133 Milano (Italy); Lucchese, R. R. [Department of Chemistry, Texas A and M University, College Station, Texas 77843-3255 (United States)

    2011-11-15

    New extreme-ultraviolet (XUV) light sources such as high-order-harmonic generation (HHG) and free-electron lasers (FELs), combined with laser-induced alignment techniques, enable novel methods for making molecular movies based on measuring molecular frame photoelectron angular distributions. Experiments are presented where CO{sub 2} molecules were impulsively aligned using a near-infrared laser and ionized using femtosecond XUV pulses obtained by HHG. Measured electron angular distributions reveal contributions from four orbitals and the onset of the influence of the molecular structure.

  19. The neural cell adhesion molecule

    DEFF Research Database (Denmark)

    Berezin, V; Bock, E; Poulsen, F M

    2000-01-01

    During the past year, the understanding of the structure and function of neural cell adhesion has advanced considerably. The three-dimensional structures of several of the individual modules of the neural cell adhesion molecule (NCAM) have been determined, as well as the structure of the complex...... between two identical fragments of the NCAM. Also during the past year, a link between homophilic cell adhesion and several signal transduction pathways has been proposed, connecting the event of cell surface adhesion to cellular responses such as neurite outgrowth. Finally, the stimulation of neurite...

  20. Useful oriented immobilization of antibodies on chimeric magnetic particles: direct correlation of biomacromolecule orientation with biological activity by AFM studies.

    Science.gov (United States)

    Marciello, Marzia; Filice, Marco; Olea, David; Velez, Marisela; Guisan, José M; Mateo, Cesar

    2014-12-16

    The preparation and performance of a suitable chimeric biosensor based on antibodies (Abs) immobilized on lipase-coated magnetic particles by means of a standing orienting strategy are presented. This novel system is based on hydrophobic magnetic particles coated with modified lipase molecules able to orient and further immobilize different Abs in a covalent way without any previous site-selective chemical modification of biomacromolecules. Different key parameters attending the process were studied and optimized. The optimal preparation was performed using a controlled loading (1 nmol Ab g(-1) chimeric support) at pH 9 and a short reaction time to recover a biological activity of about 80%. AFM microscopy was used to study and confirm the Abs-oriented immobilization on lipase-coated magnetic particles and the final achievement of a highly active and recyclable chimeric immune sensor. This direct technique was demonstrated to be a powerful alternative to the indirect immunoactivity assay methods for the study of biomacromolecule-oriented immobilizations.

  1. Ribosome display for improved biotherapeutic molecules.

    Science.gov (United States)

    Rothe, Achim; Hosse, Ralf J; Power, Barbara E

    2006-02-01

    Ribosome display presents an innovative in vitro technology for the rapid isolation and evolution of high-affinity peptides or proteins. Displayed proteins are bound to and recovered from target molecules in multiple rounds of selection in order to enrich for specific binding proteins. No transformation step is necessary, which could lead to a loss of library diversity. A cycle of display and selection can be performed in one day, enabling the existing gene repertoire to be rapidly scanned. Proteins isolated from the panning rounds can be further modified through random or directed molecular evolution for affinity maturation, as well as selected for characteristics such as protein stability, folding and functional activity. Recently, the field of display technologies has become more prominent due to the generation of new scaffolds for ribosome display, isolation of high-affinity human antibodies by phage display, and their implementation in the discovery of novel protein-protein interactions. Applications for this technology extend into the broad field of antibody engineering, proteomics, and synthetic enzymes for diagnostics and therapeutics in cancer, autoimmune and infectious diseases, neurodegenerative diseases and inflammatory disorders. This review highlights the role of ribosome display in drug discovery, discusses advantages and disadvantages of the system, and attempts to predict the future impact of ribosome display technology on the development of novel engineered biopharmaceutical products for biological therapies.

  2. Molecules in Studio v. 1.0

    Energy Technology Data Exchange (ETDEWEB)

    2016-04-22

    A Powersim Studio implementation of the system dynamics’ ‘Molecules of Structure’. The original implementation was in Ventana’s Vensim language by James Hines. The molecules are fundamental constructs of the system dynamics simulation methodology.

  3. A diversity oriented synthesis of natural product inspired molecular libraries.

    Science.gov (United States)

    Chauhan, Jyoti; Luthra, Tania; Gundla, Rambabu; Ferraro, Antonio; Holzgrabe, Ulrike; Sen, Subhabrata

    2017-11-07

    Natural products are the source of innumerable pharmaceutical drug candidates and also form an important aspect of herbal remedies. They are also a source of various bioactive compounds. Herein we have leveraged the structural attributes of several natural products in building a library of architecturally diverse chiral molecules by harnessing R-tryptophan as the chiral auxiliary. It is converted to its corresponding methyl ester 1 which in turn provided a bevy of 1-aryl-tetrahydro-β-carbolines 2a-d, which were then converted to chiral compounds via a diversity oriented synthetic strategy (DOS). In general, intermolecular and intramolecular ring rearrangements facilitated the formation of the final compounds. Four different classes of molecules with distinct architectures were generated, adding up to nearly twenty-two individual molecules. Phenotypic screening of a representative section of the library revealed two molecules that selectively inhibit MCF7 breast cancer cells with IC 50 of ∼5 μg mL -1 potency.

  4. Electron diffraction of CBr4 in superfluid helium droplets: A step towards single molecule diffraction

    Science.gov (United States)

    2016-01-01

    We demonstrate the practicality of electron diffraction of single molecules inside superfluid helium droplets using CBr4 as a testing case. By reducing the background from pure undoped droplets via multiple doping, with small corrections for dimers and trimers, clearly resolved diffraction rings of CBr4 similar to those of gas phase molecules can be observed. The experimental data from CBr4 doped droplets are in agreement with both theoretical calculations and with experimental results of gaseous species. The abundance of monomers and clusters in the droplet beam also qualitatively agrees with the Poisson statistics. Possible extensions of this approach to macromolecular ions will also be discussed. This result marks the first step in building a molecular goniometer using superfluid helium droplet cooling and field induced orientation. The superior cooling effect of helium droplets is ideal for field induced orientation, but the diffraction background from helium is a concern. This work addresses this background issue and identifies a possible solution. Accumulation of diffraction images only becomes meaningful when all images are produced from molecules oriented in the same direction, and hence a molecular goniometer is a crucial technology for serial diffraction of single molecules. PMID:27448887

  5. Pedagogical Issues in Object Orientation.

    Science.gov (United States)

    Nerur, Sridhar; Ramanujan, Sam; Kesh, Someswar

    2002-01-01

    Discusses the need for people with object-oriented (OO) skills, explains benefits of OO in software development, and addresses some of the difficulties in teaching OO. Topics include the evolution of programming languages; differences between OO and traditional approaches; differences from data modeling; and Unified Modeling Language (UML) and…

  6. Role-Oriented Enterprise Systems

    DEFF Research Database (Denmark)

    Holst, Philip; Beringer, Joerg; Winther, Jacob

    This paper examines the concept of role-­oriented enterprise systems by investigating motivations for and approaches to constructing and reflecting predefined organizational roles in user interfaces of packaged enterprise systems. The research is conducted as case studies of Microsoft and SAP...

  7. Object Oriented Programming in Director

    Directory of Open Access Journals (Sweden)

    Marian DARDALA

    2006-01-01

    Full Text Available Director is one of the most popular authoring software. As software for developing multimedia applications, Director is an object oriented programming environment. A very important issue to develop multimedia applications is the designing of their own classes. This paper presents the particular aspects concerning the available facilities offered by Lingo to design classes and to generate objects.

  8. Sexual orientation, prejudice, and segregation

    NARCIS (Netherlands)

    E.J.S. Plug (Erik); H.D. Webbink (Dinand); N.G. Martin (Nicholas)

    2014-01-01

    textabstractThis article examines whether gay and lesbian workers sort into tolerant occupations. With information on sexual orientation, prejudice, and occupational choice taken fromAustralian Twin Registers, we find that gays and lesbians shy away from prejudiced occupations. We show that our

  9. Sexual orientation, prejudice and segregation

    NARCIS (Netherlands)

    Plug, E.; Webbink, D.; Martin, N.

    2014-01-01

    This article examines whether gay and lesbian workers sort into tolerant occupations. With information on sexual orientation, prejudice, and occupational choice taken from Australian Twin Registers, we find that gays and lesbians shy away from prejudiced occupations. We show that our segregation

  10. Importance of process oriented organizations

    Science.gov (United States)

    Bedic, S.

    2013-09-01

    This paper analyzes different types of start-up aerospace organizations, common mistakes and the importance of process oriented management systems. It is made using experience in starting up 5 airlines, one microlight aircraft production, two GLXP teams and 4 space technology companies' startup.

  11. Market Orientation and Organizational Performance

    Directory of Open Access Journals (Sweden)

    Chee-Hua Chin

    2013-11-01

    Full Text Available Orientation plays a vital role for organizations to compete to create sustainable competitive advantage. The objective of this study is to examine the relationship between market orientation (MO and organizational performance (OP with service quality (SQ as a moderator in the context of the hotel industry in Malaysia. MO and OP were conceptualized as three- and two-dimensional constructs, respectively, whereas SQ, which consists of two-dimensional constructs, namely, technical quality and functional quality, was used as a moderator. Data were gathered through a survey using a structured questionnaire with a sample of 187 executive-level employees employed in hotels rated three stars and above in Malaysia. SmartPLS 2.0 (M3 with path modeling and bootstrapping was used to examine the standard error of the estimate and t-values. The findings suggest that only competitor orientation dimension of MO was significantly related to OP, whereas customer orientation and inter-functional coordination were not related. Interestingly, SQ was found to have moderated the relationship between MO and performance of the hotels in Malaysia. SQ exists to fill in the gap between customers’ expectations and their perception of the service providers’ performance that further creates differentiation and competitive advantage, which enhance MO practices and ultimately lead to improvements in the firm’s performance. Implications of the findings, potential limitations of the study, and directions for future research are highlighted.

  12. Time orientation and construal level

    NARCIS (Netherlands)

    Beek, van Jannette; Handgraaf, Michel J.J.; Antonides, Gerrit

    2017-01-01

    Eating and exercising behaviour are both characterized by immediate and future consequences. Consequently, consideration of these consequences (i.e. time orientation) predicts eating and exercising behaviour. We investigate whether construal level acts as an underlying mechanism of these

  13. Orientation as a Leadership Experience.

    Science.gov (United States)

    Sawyer, Rick

    1988-01-01

    Use of upper-class students in college freshmen orientation program leadership roles is proposed. Leadership qualities that can be promoted include planning, delegation, communication, decision making, situational analysis, relationship building, initiative, risk taking, stress management, and program evaluation. Two program models are proposed,…

  14. Vocationally Oriented Language Learning Revisited

    Science.gov (United States)

    Vogt, Karin; Kantelinen, Ritva

    2013-01-01

    Vocationally oriented language learning (VOLL) is often seen as a part of English for Specific Purposes/Language for Specific Purposes (ESP/LSP), which it is not in every case. The diverging characteristics and lines of development that these two branches of ELT have undergone are outlined and contrasted. Then, a discussion of the added value of a…

  15. Young people and sexual orientation

    NARCIS (Netherlands)

    Lisette Kuyper

    2015-01-01

    Original title: Young people and sexual orientation The Netherlands Institute for Social Research ¦ SCP carries out regular research on lesbian, gay, bisexual and transgender (LGBT) individuals. In this report, the focus is on young people in the Netherlands. The report addresses two issues:

  16. The Orientation and Mobility Assistant.

    Science.gov (United States)

    Wiener, William R.; And Others

    1990-01-01

    Implementation of recommendations of a position paper on training Orientation Mobility (OM) assistants is considered with suggestions concerning the roles of the OM specialist and OM assistant, specific skill areas for training, the role of the agency or school, and a preparation program for the mobility assistant leading to certification. (DB)

  17. Political Orientations, Intelligence and Education

    Science.gov (United States)

    Rindermann, Heiner; Flores-Mendoza, Carmen; Woodley, Michael A.

    2012-01-01

    The social sciences have traditionally assumed that education is a major determinant of citizens' political orientations and behavior. Several studies have also shown that intelligence has an impact. According to a theory that conceptualizes intelligence as a "burgher" (middle-class, civil) phenomenon--intelligence should promote civil…

  18. Orient Journal of Medicine: Submissions

    African Journals Online (AJOL)

    Charges: Authors are required, at the submission of each article, to pay a sum of N15,000 (Fifteen Thousand Naira only) as processing fee at the Journal Office and obtain a written receipt, or pay into the Orient Journal of Medicine Bank Account (Account No. should be obtained directly from the Editor)and mail a scanned ...

  19. Neural computations in spatial orientation

    NARCIS (Netherlands)

    Vingerhoets, R.A.A.

    2008-01-01

    This thesis describes the results of a research project that focused on how visual and vestibular signals are used by the human brain to maintain spatial orientation and visual stability. Given the limitations of the vestibular sensors in terms of bandwidth and precision, outlined in chapter 1,

  20. Teacher's Guide to Occupational Orientation.

    Science.gov (United States)

    National Evaluation Systems, Inc., Amherst, MA.

    This guide is specifically designed to accompany materials developed for occupational orientation (particularly in Illinois) in the following five cluster areas: Applied biological and agricultural occupations; personal and public service occupations; health occupations; business, marketing, and management occupations; and industrial oriented…

  1. Glycomics: revealing the dynamic ecology and evolution of sugar molecules.

    Science.gov (United States)

    Springer, Stevan A; Gagneux, Pascal

    2016-03-01

    Sugars are the most functionally and structurally diverse molecules in the biological world. Glycan structures range from tiny single monosaccharide units to giant chains thousands of units long. Some glycans are branched, their monosaccharides linked together in many different combinations and orientations. Some exist as solitary molecules; others are conjugated to proteins and lipids and alter their collective functional properties. In addition to structural and storage roles, glycan molecules participate in and actively regulate physiological and developmental processes. Glycans also mediate cellular interactions within and between individuals. Their roles in ecology and evolution are pivotal, but not well studied because glycan biochemistry requires different methods than standard molecular biology practice. The properties of glycans are in some ways convenient, and in others challenging. Glycans vary on organismal timescales, and in direct response to physiological and ecological conditions. Their mature structures are physical records of both genetic and environmental influences during maturation. We describe the scope of natural glycan variation and discuss how studying glycans will allow researchers to further integrate the fields of ecology and evolution. Copyright © 2015 Elsevier B.V. All rights reserved.

  2. Quantum Interference Contribution to the Dipole Moment of Diatomic Molecules.

    Science.gov (United States)

    Oliveira de Sousa, David Wilian; Nascimento, Marco Antonio Chaer

    2018-02-08

    The interference energy partitioning analysis method developed by our group and used to study the nature of the chemical bond was extended to partition the electric dipole moment in quasi-classical and interference contributions. Our results show that interference participates in charge displacement in polar molecules, providing, directly or indirectly, a relevant contribution for the total dipole moment. A linear correlation was found between the interference contribution of the dipole moment from the bond electron group, μ INT (bond), and the difference of electronegativity of the atoms which form the bond, ΔX AB . This interesting result reinforces the fact that electronegativity is not a property of an atom alone, but rather a property of the atom in the molecule and that ΔX AB can only be associated with that part of the total charge displacement resulting from the formation of the chemical bond. The partitioning of the total dipole moment into quasi-classical and interference contributions provides new insights about the reasons for the failure of the ΔX AB criterion in predicting the correct orientation of the dipole moment in several molecules. The results of the present work also bring additional evidence for the previously proposed mechanism of formation of polar bonds.

  3. Single molecule transistor based nanopore for the detection of nicotine

    Science.gov (United States)

    Ray, S. J.

    2014-12-01

    A nanopore based detection methodology was proposed and investigated for the detection of Nicotine. This technique uses a Single Molecular Transistor working as a nanopore operational in the Coulomb Blockade regime. When the Nicotine molecule is pulled through the nanopore area surrounded by the Source(S), Drain (D), and Gate electrodes, the charge stability diagram can detect the presence of the molecule and is unique for a specific molecular structure. Due to the weak coupling between the different electrodes which is set by the nanopore size, the molecular energy states stay almost unaffected by the electrostatic environment that can be realised from the charge stability diagram. Identification of different orientation and position of the Nicotine molecule within the nanopore area can be made from specific regions of overlap between different charge states on the stability diagram that could be used as an electronic fingerprint for detection. This method could be advantageous and useful to detect the presence of Nicotine in smoke which is usually performed using chemical chromatography techniques.

  4. Single molecule transistor based nanopore for the detection of nicotine

    Energy Technology Data Exchange (ETDEWEB)

    Ray, S. J., E-mail: ray.sjr@gmail.com [Institute of Materials Science, Technical University of Darmstadt, Alarich-Weiss-Str. 2, 64287 Darmstadt (Germany)

    2014-12-28

    A nanopore based detection methodology was proposed and investigated for the detection of Nicotine. This technique uses a Single Molecular Transistor working as a nanopore operational in the Coulomb Blockade regime. When the Nicotine molecule is pulled through the nanopore area surrounded by the Source(S), Drain (D), and Gate electrodes, the charge stability diagram can detect the presence of the molecule and is unique for a specific molecular structure. Due to the weak coupling between the different electrodes which is set by the nanopore size, the molecular energy states stay almost unaffected by the electrostatic environment that can be realised from the charge stability diagram. Identification of different orientation and position of the Nicotine molecule within the nanopore area can be made from specific regions of overlap between different charge states on the stability diagram that could be used as an electronic fingerprint for detection. This method could be advantageous and useful to detect the presence of Nicotine in smoke which is usually performed using chemical chromatography techniques.

  5. Plasmonic enhancement of SERS measured on molecules in carbon nanotubes.

    Science.gov (United States)

    Mueller, Niclas S; Heeg, Sebastian; Kusch, Patryk; Gaufrès, Etienne; Tang, Nathalie Y-W; Hübner, Uwe; Martel, Richard; Vijayaraghavan, Aravind; Reich, Stephanie

    2017-12-04

    We isolated the plasmonic contribution to surface-enhanced Raman scattering (SERS) and found it to be much stronger than expected. Organic dyes encapsulated in single-walled carbon nanotubes are ideal probes for quantifying plasmonic enhancement in a Raman experiment. The molecules are chemically protected through the nanotube wall and spatially isolated from the metal, which prevents enhancement by chemical means and through surface roughness. The tubes carry molecules into SERS hotspots, thereby defining molecular position and making it accessible for structural characterization with atomic-force and electron microscopy. We measured a SERS enhancement factor of 106 on α-sexithiophene (6T) molecules in the gap of a plasmonic nanodimer. This is two orders of magnitude stronger than predicted by the electromagnetic enhancement theory (104). We discuss various phenomena that may explain the discrepancy (including hybridization, static and dynamic charge transfer, surface roughness, uncertainties in molecular position and orientation), but found all of them lacking in enhancement for our probe system. We suggest that plasmonic enhancement in SERS is, in fact, much stronger than currently anticipated. We discuss novel approaches for treating SERS quantum mechanically that appear promising for predicting correct enhancement factors. Our findings have important consequences on the understanding of SERS as well as for designing and optimizing plasmonic substrates.

  6. Is JPC = 3-+ molecule possible?

    Science.gov (United States)

    Zhu, Wei; Liu, Yan-Rui; Yao, Tao

    2015-02-01

    The confirmation of charged charmonium-like states indicates that heavy quark molecules should exist. Here we discuss the possibility of a molecule state with JPC = 3-+. In a one-boson-exchange model investigation for the S wave C = + D*D¯2* states, one finds that the strongest attraction is in the case J = 3 and I = 0 for both π and σ exchanges. Numerical analysis indicates that this hadronic bound state might exist if a phenomenological cutoff parameter around 2.3 GeV (1.5 GeV) is reasonable with a dipole (monopole) type form factor in the one-pion-exchange model. The cutoff for binding solutions may be reduced to a smaller value once the σ exchange contribution is included. If a state around the D*D¯2* threshold (≈4472 MeV) in the channel J/ψω (P wave) is observed, the heavy quark spin symmetry implies that it is not a cc¯ meson and the JPC are likely to be 3-+. Supported by National Natural Science Foundation of China (11275115), Shandong Province Natural Science Foundation (ZR2010AM023), SRF for ROCS, SEM, and Independent Innovation Foundation of Shandong University

  7. Influence of optical probing with YOYO on the electrophoretic behavior of the DNA molecule.

    Science.gov (United States)

    Carlsson, C; Larsson, A; Jonsson, M

    1996-04-01

    The influence of the fluorescent dye YOYO (1,1'-(4,4,8,8,-tetramethyl- 4,8-diazaundecamethylene)bis[4-[[3-methyl-benzo-1,3-oxazol-2 -yl] methylidene]-1,4-dihydroquinolinium] tetraiodide) on the electrophoretic behavior of the DNA molecule was investigated. This is important when using YOYO as a probe in capillary electrophoresis or in fluorescence microscopy studies of DNA with the purpose of studying the migration mechanism of DNA on the molecular level. We have measured the mobility and orientation dynamics (using the linear dichroism technique) for both pure DNA and the YOYO-DNA complex in agarose gel in order to compare their electrophoretic properties. Mobility decreases, the degree of orientation becomes lower, and the orientational dynamics slower, when YOYO binds to DNA. However, the dependence on field strength of the mobility, orientation and orientational dynamics, are similar for DNA and YOYO-DNA, indicating that the mode of migration does not change significantly upon binding YOYO to DNA. Furthermore, since our results show that the effect of YOYO on both the degree of orientation and orientational dynamics of the DNA can be measured and therefore be compensated for, it can be concluded that YOYO is an excellent optical probe for the study of the migrational behavior of DNA.

  8. Determination of Collagen Fiber Orientation in Human Tissue by Use of Polarization Measurement of Molecular Second-Harmonic-Generation Light

    Science.gov (United States)

    Yasui, Takeshi; Tohno, Yoshiyuki; Araki, Tsutomu

    2004-05-01

    Based on the reflection-type polarization measurement of second-harmonic-generation (SHG) light induced by collagen molecules, we are able to determine the collagen fiber orientation in human tissues taken from a cadaver. The resulting SHG radar graph shows the direction of the absolute orientation and the degree of organization of collagen fibers. To evaluate the probing sensitivity to the collagen orientation, we compared the proposed method with other polarimetric methods. Use of the proposed method revealed characteristic orientation differences among collagen fibers and demonstrated significant inhomogeneity with respect to the distribution of collagen orientation in human dentin. The proposed method provides a powerful research and diagnostic tool for examining the collagen orientation in human tissues.

  9. Ultrafast electron diffraction from aligned molecules

    Energy Technology Data Exchange (ETDEWEB)

    Centurion, Martin [Univ. of Nebraska, Lincoln, NE (United States)

    2015-08-17

    The aim of this project was to record time-resolved electron diffraction patterns of aligned molecules and to reconstruct the 3D molecular structure. The molecules are aligned non-adiabatically using a femtosecond laser pulse. A femtosecond electron pulse then records a diffraction pattern while the molecules are aligned. The diffraction patterns are then be processed to obtain the molecular structure.

  10. Controlled contact to a C-60 molecule

    DEFF Research Database (Denmark)

    Neel, N.; Kröger, J.; Limot, L.

    2007-01-01

    The tip of a low-temperature scanning tunneling microscope is approached towards a C-60 molecule adsorbed at a pentagon-hexagon bond on Cu(100) to form a tip-molecule contact. The conductance rapidly increases to approximate to 0.25 conductance quanta in the transition region from tunneling...... the tip-molecule distance....

  11. Random walks in a random environment

    Indian Academy of Sciences (India)

    R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

    Abstract. Random walks as well as diffusions in random media are considered. Methods are developed that allow one to establish large deviation results for both the 'quenched' and the 'averaged' case. Keywords. Large deviations; random walks in a random environment. 1. Introduction. A random walk on Zd is a stochastic ...

  12. Influence of Molecular Shape on the Thermal Stability and Molecular Orientation of Vapor-Deposited Organic Semiconductors.

    Science.gov (United States)

    Walters, Diane M; Antony, Lucas; de Pablo, Juan J; Ediger, M D

    2017-07-20

    High thermal stability and anisotropic molecular orientation enhance the performance of vapor-deposited organic semiconductors, but controlling these properties is a challenge in amorphous materials. To understand the influence of molecular shape on these properties, vapor-deposited glasses of three disk-shaped molecules were prepared. For all three systems, enhanced thermal stability is observed for glasses prepared over a wide range of substrate temperatures and anisotropic molecular orientation is observed at lower substrate temperatures. For two of the disk-shaped molecules, atomistic simulations of thin films were also performed and anisotropic molecular orientation was observed at the equilibrium liquid surface. We find that the structure and thermal stability of these vapor-deposited glasses results from high surface mobility and partial equilibration toward the structure of the equilibrium liquid surface during the deposition process. For the three molecules studied, molecular shape is a dominant factor in determining the anisotropy of vapor-deposited glasses.

  13. Social Dominance Orientation, Language Orientation, and Deaf Identity.

    Science.gov (United States)

    Marschark, Marc; Zettler, Ingo; Dammeyer, Jesper

    2017-07-01

    The notion of the Deaf community as a linguistic-cultural minority has been increasingly recognized and studied over the last two decades. However, significant differences of opinion and perspective within that population typically have been neglected in the literature. Social dominance orientation (SDO), a theoretical construct, typically focusing on intergroup perceptions and relations, is one aspect that has been left unexplored and might prove particularly enlightening. The present study investigated SDO among 119 deaf and 49 hearing young adults through a standardized SDO questionnaire. SDO was examined with regard to cultural identities (deaf, hearing, bicultural, and marginal), cochlear implant use, and language orientation (sign language or spoken language). The deaf participants were found to be more egalitarian than hearing individuals overall. Deaf individuals who held the strongest deaf identities, those who were sign language oriented, and not cochlear implant users, were the most egalitarian. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  14. Directly measuring single molecule heterogeneity using force spectroscopy

    CERN Document Server

    Hinczewski, Michael; Thirumalai, D

    2016-01-01

    One of the most intriguing results of single molecule experiments on proteins and nucleic acids is the discovery of functional heterogeneity: the observation that complex cellular machines exhibit multiple, biologically active conformations. The structural differences between these conformations may be subtle, but each distinct state can be remarkably long-lived, with random interconversions between states occurring only at macroscopic timescales, fractions of a second or longer. Though we now have proof of functional heterogeneity in a handful of systems---enzymes, motors, adhesion complexes---identifying and measuring it remains a formidable challenge. Here we show that evidence of this phenomenon is more widespread than previously known, encoded in data collected from some of the most well-established single molecule techniques: AFM or optical tweezer pulling experiments. We present a theoretical procedure for analyzing distributions of rupture/unfolding forces recorded at different pulling speeds. This re...

  15. Anti-cancer Lead Molecule

    KAUST Repository

    Sagar, Sunil

    2014-04-17

    Derivatives of plumbagin can be selectively cytotoxic to breast cancer cells. Derivative `A` (Acetyl Plumbagin) has emerged as a lead molecule for testing against estrogen positive breast cancer and has shown low hepatotoxicity as well as overall lower toxicity in nude mice model. The toxicity of derivative `A` was determined to be even lower than vehicle control (ALT and AST markers). The possible mechanism of action identified based on the microarray experiments and pathway mapping shows that derivative `A` could be acting by altering the cholesterol-related mechanisms. The low toxicity profile of derivative `A` highlights its possible role as future anti-cancer drug and/or as an adjuvant drug to reduce the toxicity of highly toxic chemotherapeutic drugs

  16. Optoelectronics of Molecules and Polymers

    CERN Document Server

    Moliton, André

    2006-01-01

    Optoelectronic devices are being developed at an extraordinary rate. Organic light emitting diodes, photovoltaic devices and electro-optical modulators are pivotal to the future of displays, photosensors and solar cells, and communication technologies. This book details the theories underlying the relevant mechanisms in organic materials and covers, at a basic level, how the organic components are made. The first part of this book introduces the fundamental theories used to detail ordered solids and localised energy levels. The methods used to determine energy levels in perfectly ordered molecular and macromolecular systems are discussed, making sure that the effects of quasi-particles are not missed. The function of excitons and their transfer between two molecules are studied, and the problems associated with interfaces and charge injection into resistive media are presented. The second part details technological aspects such as the fabrication of devices based on organic materials by dry etching. The princ...

  17. Small-molecule arginase inhibitors.

    Science.gov (United States)

    Ivanenkov, Yan A; Chufarova, Nina V

    2014-01-01

    Arginase is an enzyme that metabolizes L-arginine to L-ornithine and urea. In addition to its fundamental role in the hepatic ornithine cycle, it also influences the immune systems in humans and mice. Arginase participates in many inflammatory disorders by decreasing the synthesis of nitric oxide and inducing fibrosis and tissue regeneration. L-arginine deficiency, which is modulated by myeloid cell arginase, suppresses T-cell immune response. This mechanism plays a fundamental role in inflammation-associated immunosuppression. Pathogens can synthesize their own arginase to elude immune reaction. Small-molecule arginase inhibitors are currently described as promising therapeutics for the treatment of several diseases, including allergic asthma, inflammatory bowel disease, ulcerative colitis, cardiovascular diseases (atherosclerosis and hypertension), diseases associated with pathogens (e.g., Helicobacter pylori, Trypanosoma cruzi, Leishmania, Mycobacterium tuberculosis and Salmonella), cancer and induced or spontaneous immune disorders. This article summarizes recent patents in the area of arginase inhibitors and discusses their properties.

  18. Photonic Molecules and Spectral Engineering

    Science.gov (United States)

    Boriskina, Svetlana V.

    This chapter reviews the fundamental optical properties and applications of photonic molecules (PMs) - photonic structures formed by electromagnetic coupling of two or more optical microcavities (photonic atoms). Controllable interaction between light and matter in photonic atoms can be further modified and enhanced by the manipulation of their mutual coupling. Mechanical and optical tunability of PMs not only adds new functionalities to microcavity-based optical components but also paves the way for their use as testbeds for the exploration of novel physical regimes in atomic physics and quantum optics. Theoretical studies carried on for over a decade yielded novel PM designs that make possible lowering thresholds of semiconductor microlasers, producing directional light emission, achieving optically induced transparency, and enhancing sensitivity of microcavity-based bio-, stress-, and rotation sensors. Recent advances in material science and nano-fabrication techniques make possible the realization of optimally tuned PMs for cavity quantum electrodynamic experiments, classical and quantum information processing, and sensing.

  19. Molecule Formation on Interstellar Grains

    Science.gov (United States)

    Vidali, G.

    2011-05-01

    The first experiments that were expressively designed to be applicable to hydrogen formation reactions in the ISM measured the efficiency of formation of molecular hydrogen on a polycrystalline olivine (Pirronello et al. (1997a)). It soon turned out that more was needed, and research began on the mechanism of reaction, on the in uence of the surface morphology, and on the excitation of the just- ormed molecule. In this review, I summarize what we learned from these and other experiments, and where more work is needed: in the elementary steps of reaction, in the bridging of the laboratory-ISM gap (large ux/large surface - small ux/small grain) using simulations, and in using realistic samples of dust grains. Understanding what experiments can and cannot deliver will help in designing and targeting observations, and vice-versa.

  20. Oriented Collagen Scaffolds for Tissue Engineering

    Science.gov (United States)

    Isobe, Yoshihiro; Kosaka, Toru; Kuwahara, Go; Mikami, Hiroshi; Saku, Taro; Kodama, Shohta

    2012-01-01

    Oriented collagen scaffolds were developed in the form of sheet, mesh and tube by arraying flow-oriented collagen string gels and dehydrating the arrayed gels. The developed collagen scaffolds can be any practical size with any direction of orientation for tissue engineering applications. The birefringence of the collagen scaffolds was quantitatively analyzed by parallel Nicols method. Since native collagen in the human body has orientations such as bone, cartilage, tendon and cornea, and the orientation has a special role for the function of human organs, the developed various types of three-dimensional oriented collagen scaffolds are expected to be useful biomaterials for tissue engineering and regenerative medicines. PMID:28817059